USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 743 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 80 SER OG : rot -88:sc= 1.28 USER MOD Set 1.2: A 81 MET CE :methyl -102:sc= -3.2 (180deg=-7.05!) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -8.43! C(o=-20!,f=-22!) USER MOD Set 2.2: A 24 SER OG : rot -170:sc= -0.473 USER MOD Set 2.3: A 25 MET CE :methyl -157:sc= -4.74! (180deg=-6.25!) USER MOD Set 2.4: A 48 MET CE :methyl -112:sc= -3.45! (180deg=-1.12) USER MOD Set 2.5: A 57 MET CE :methyl -109:sc= -3.21! (180deg=-5.56!) USER MOD Set 3.1: A 9 CYS SG : rot -11:sc= 1.05 USER MOD Set 3.2: A 72 THR OG1 : rot -109:sc= -0.117 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot -143:sc= -0.22 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.5) USER MOD Single : A 14 ASN : amide:sc= -0.0436 K(o=-0.044,f=-1.3!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.12 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 165:sc= -0.354 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -7.01! C(o=-7!,f=-11!) USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.65 USER MOD Single : A 34 GLN : amide:sc= -4.02! C(o=-4!,f=-3.8!) USER MOD Single : A 39 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.54) USER MOD Single : A 41 HIS : no HE2:sc= -3.88 X(o=-3.9,f=-3.5) USER MOD Single : A 43 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.4) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.3 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -160:sc= -0.0845 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0792 USER MOD Single : A 58 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0838) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc=-0.00122 X(o=-0.0012,f=-0.00052) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.07 K(o=-1.1,f=-1.6) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 135:sc= 0.298 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -15.053 -0.467 19.032 1.00 0.00 N ATOM 2 CA ALA A 2 -14.289 -0.468 17.791 1.00 71.14 C ATOM 3 C ALA A 2 -12.798 -0.303 18.063 1.00 1.25 C ATOM 4 O ALA A 2 -12.402 0.232 19.099 1.00 14.32 O ATOM 5 CB ALA A 2 -14.784 0.634 16.866 1.00 43.04 C ATOM 0 HA ALA A 2 -14.437 -1.431 17.303 1.00 71.14 H new ATOM 0 HB1 ALA A 2 -14.205 0.622 15.943 1.00 43.04 H new ATOM 0 HB2 ALA A 2 -15.837 0.470 16.636 1.00 43.04 H new ATOM 0 HB3 ALA A 2 -14.666 1.601 17.356 1.00 43.04 H new ATOM 11 N ARG A 3 -11.975 -0.766 17.128 1.00 31.13 N ATOM 12 CA ARG A 3 -10.527 -0.671 17.270 1.00 71.14 C ATOM 13 C ARG A 3 -9.872 -0.331 15.934 1.00 2.43 C ATOM 14 O ARG A 3 -10.440 -0.581 14.872 1.00 73.20 O ATOM 15 CB ARG A 3 -9.959 -1.985 17.808 1.00 24.15 C ATOM 16 CG ARG A 3 -10.070 -3.143 16.830 1.00 23.34 C ATOM 17 CD ARG A 3 -10.265 -4.467 17.554 1.00 53.52 C ATOM 18 NE ARG A 3 -8.997 -5.047 17.986 1.00 44.12 N ATOM 19 CZ ARG A 3 -8.902 -6.025 18.880 1.00 14.41 C ATOM 20 NH1 ARG A 3 -9.997 -6.529 19.434 1.00 44.22 N ATOM 21 NH2 ARG A 3 -7.712 -6.500 19.222 1.00 62.41 N ATOM 0 H ARG A 3 -12.286 -1.211 16.264 1.00 31.13 H new ATOM 0 HA ARG A 3 -10.308 0.129 17.978 1.00 71.14 H new ATOM 0 HB2 ARG A 3 -8.910 -1.839 18.067 1.00 24.15 H new ATOM 0 HB3 ARG A 3 -10.481 -2.247 18.728 1.00 24.15 H new ATOM 0 HG2 ARG A 3 -10.907 -2.970 16.153 1.00 23.34 H new ATOM 0 HG3 ARG A 3 -9.170 -3.191 16.218 1.00 23.34 H new ATOM 0 HD2 ARG A 3 -10.908 -4.315 18.421 1.00 53.52 H new ATOM 0 HD3 ARG A 3 -10.778 -5.168 16.896 1.00 53.52 H new ATOM 0 HE ARG A 3 -8.136 -4.681 17.579 1.00 44.12 H new ATOM 0 HH11 ARG A 3 -10.914 -6.166 19.174 1.00 44.22 H new ATOM 0 HH12 ARG A 3 -9.922 -7.280 20.120 1.00 44.22 H new ATOM 0 HH21 ARG A 3 -6.868 -6.114 18.798 1.00 62.41 H new ATOM 0 HH22 ARG A 3 -7.641 -7.251 19.909 1.00 62.41 H new ATOM 35 N GLN A 4 -8.674 0.242 15.998 1.00 60.12 N ATOM 36 CA GLN A 4 -7.943 0.618 14.794 1.00 64.54 C ATOM 37 C GLN A 4 -7.240 -0.591 14.184 1.00 21.12 C ATOM 38 O GLN A 4 -7.011 -1.595 14.859 1.00 5.34 O ATOM 39 CB GLN A 4 -6.920 1.710 15.112 1.00 32.33 C ATOM 40 CG GLN A 4 -5.841 1.267 16.087 1.00 1.00 C ATOM 41 CD GLN A 4 -4.520 1.973 15.855 1.00 3.41 C ATOM 42 OE1 GLN A 4 -3.610 1.425 15.232 1.00 73.02 O ATOM 43 NE2 GLN A 4 -4.407 3.198 16.357 1.00 63.33 N ATOM 0 H GLN A 4 -8.190 0.456 16.870 1.00 60.12 H new ATOM 0 HA GLN A 4 -8.661 1.003 14.069 1.00 64.54 H new ATOM 0 HB2 GLN A 4 -6.449 2.036 14.185 1.00 32.33 H new ATOM 0 HB3 GLN A 4 -7.440 2.574 15.526 1.00 32.33 H new ATOM 0 HG2 GLN A 4 -6.177 1.458 17.106 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -5.694 0.191 15.996 1.00 1.00 H new ATOM 0 HE21 GLN A 4 -5.186 3.614 16.867 1.00 63.33 H new ATOM 0 HE22 GLN A 4 -3.541 3.722 16.233 1.00 63.33 H new ATOM 52 N VAL A 5 -6.900 -0.488 12.903 1.00 35.51 N ATOM 53 CA VAL A 5 -6.223 -1.573 12.202 1.00 11.14 C ATOM 54 C VAL A 5 -4.868 -1.121 11.669 1.00 13.02 C ATOM 55 O VAL A 5 -4.623 0.074 11.503 1.00 4.21 O ATOM 56 CB VAL A 5 -7.073 -2.102 11.032 1.00 41.34 C ATOM 57 CG1 VAL A 5 -8.400 -2.646 11.538 1.00 40.21 C ATOM 58 CG2 VAL A 5 -7.295 -1.008 9.998 1.00 11.44 C ATOM 0 H VAL A 5 -7.082 0.336 12.330 1.00 35.51 H new ATOM 0 HA VAL A 5 -6.076 -2.375 12.926 1.00 11.14 H new ATOM 0 HB VAL A 5 -6.532 -2.919 10.553 1.00 41.34 H new ATOM 0 HG11 VAL A 5 -8.986 -3.015 10.697 1.00 40.21 H new ATOM 0 HG12 VAL A 5 -8.216 -3.461 12.238 1.00 40.21 H new ATOM 0 HG13 VAL A 5 -8.950 -1.852 12.043 1.00 40.21 H new ATOM 0 HG21 VAL A 5 -7.897 -1.399 9.178 1.00 11.44 H new ATOM 0 HG22 VAL A 5 -7.814 -0.169 10.462 1.00 11.44 H new ATOM 0 HG23 VAL A 5 -6.333 -0.671 9.612 1.00 11.44 H new ATOM 68 N ILE A 6 -3.993 -2.084 11.402 1.00 24.02 N ATOM 69 CA ILE A 6 -2.663 -1.785 10.886 1.00 42.01 C ATOM 70 C ILE A 6 -2.676 -1.670 9.365 1.00 35.04 C ATOM 71 O ILE A 6 -3.476 -2.320 8.691 1.00 62.33 O ATOM 72 CB ILE A 6 -1.643 -2.863 11.299 1.00 50.32 C ATOM 73 CG1 ILE A 6 -1.651 -3.048 12.818 1.00 43.14 C ATOM 74 CG2 ILE A 6 -0.251 -2.489 10.812 1.00 1.33 C ATOM 75 CD1 ILE A 6 -2.549 -4.171 13.285 1.00 74.32 C ATOM 0 H ILE A 6 -4.181 -3.078 11.534 1.00 24.02 H new ATOM 0 HA ILE A 6 -2.365 -0.830 11.318 1.00 42.01 H new ATOM 0 HB ILE A 6 -1.927 -3.808 10.836 1.00 50.32 H new ATOM 0 HG12 ILE A 6 -0.634 -3.242 13.158 1.00 43.14 H new ATOM 0 HG13 ILE A 6 -1.972 -2.118 13.287 1.00 43.14 H new ATOM 0 HG21 ILE A 6 0.459 -3.260 11.111 1.00 1.33 H new ATOM 0 HG22 ILE A 6 -0.257 -2.403 9.725 1.00 1.33 H new ATOM 0 HG23 ILE A 6 0.044 -1.535 11.250 1.00 1.33 H new ATOM 0 HD11 ILE A 6 -2.505 -4.244 14.372 1.00 74.32 H new ATOM 0 HD12 ILE A 6 -3.575 -3.969 12.976 1.00 74.32 H new ATOM 0 HD13 ILE A 6 -2.216 -5.111 12.844 1.00 74.32 H new ATOM 87 N CYS A 7 -1.786 -0.841 8.832 1.00 12.24 N ATOM 88 CA CYS A 7 -1.695 -0.641 7.390 1.00 24.14 C ATOM 89 C CYS A 7 -0.957 -1.800 6.727 1.00 52.42 C ATOM 90 O CYS A 7 -0.201 -2.521 7.377 1.00 10.14 O ATOM 91 CB CYS A 7 -0.983 0.677 7.081 1.00 25.42 C ATOM 92 SG CYS A 7 -1.426 2.033 8.191 1.00 52.52 S ATOM 0 H CYS A 7 -1.117 -0.296 9.376 1.00 12.24 H new ATOM 0 HA CYS A 7 -2.707 -0.601 6.988 1.00 24.14 H new ATOM 0 HB2 CYS A 7 0.094 0.517 7.133 1.00 25.42 H new ATOM 0 HB3 CYS A 7 -1.213 0.970 6.057 1.00 25.42 H new ATOM 0 HG CYS A 7 -1.465 3.147 7.522 1.00 52.52 H new ATOM 98 N TRP A 8 -1.184 -1.973 5.430 1.00 41.42 N ATOM 99 CA TRP A 8 -0.542 -3.045 4.678 1.00 30.33 C ATOM 100 C TRP A 8 0.551 -2.494 3.769 1.00 71.50 C ATOM 101 O TRP A 8 0.272 -1.750 2.828 1.00 13.04 O ATOM 102 CB TRP A 8 -1.578 -3.805 3.848 1.00 31.25 C ATOM 103 CG TRP A 8 -2.550 -4.585 4.681 1.00 12.23 C ATOM 104 CD1 TRP A 8 -3.462 -4.080 5.564 1.00 74.43 C ATOM 105 CD2 TRP A 8 -2.705 -6.008 4.711 1.00 51.23 C ATOM 106 NE1 TRP A 8 -4.175 -5.104 6.140 1.00 60.21 N ATOM 107 CE2 TRP A 8 -3.730 -6.296 5.633 1.00 72.32 C ATOM 108 CE3 TRP A 8 -2.079 -7.066 4.046 1.00 34.15 C ATOM 109 CZ2 TRP A 8 -4.140 -7.599 5.906 1.00 12.51 C ATOM 110 CZ3 TRP A 8 -2.487 -8.358 4.319 1.00 13.11 C ATOM 111 CH2 TRP A 8 -3.510 -8.615 5.241 1.00 32.35 C ATOM 0 H TRP A 8 -1.808 -1.385 4.877 1.00 41.42 H new ATOM 0 HA TRP A 8 -0.084 -3.731 5.391 1.00 30.33 H new ATOM 0 HB2 TRP A 8 -2.128 -3.096 3.229 1.00 31.25 H new ATOM 0 HB3 TRP A 8 -1.062 -4.486 3.171 1.00 31.25 H new ATOM 0 HD1 TRP A 8 -3.602 -3.031 5.778 1.00 74.43 H new ATOM 0 HE1 TRP A 8 -4.916 -4.994 6.833 1.00 60.21 H new ATOM 0 HE3 TRP A 8 -1.291 -6.877 3.332 1.00 34.15 H new ATOM 0 HZ2 TRP A 8 -4.927 -7.800 6.617 1.00 12.51 H new ATOM 0 HZ3 TRP A 8 -2.009 -9.184 3.813 1.00 13.11 H new ATOM 0 HH2 TRP A 8 -3.807 -9.636 5.431 1.00 32.35 H new ATOM 122 N CYS A 9 1.794 -2.864 4.055 1.00 62.43 N ATOM 123 CA CYS A 9 2.930 -2.406 3.262 1.00 74.01 C ATOM 124 C CYS A 9 3.258 -3.403 2.155 1.00 11.13 C ATOM 125 O CYS A 9 3.607 -4.553 2.424 1.00 12.43 O ATOM 126 CB CYS A 9 4.152 -2.198 4.157 1.00 62.02 C ATOM 127 SG CYS A 9 4.598 -3.645 5.145 1.00 3.12 S ATOM 0 H CYS A 9 2.041 -3.480 4.830 1.00 62.43 H new ATOM 0 HA CYS A 9 2.661 -1.456 2.801 1.00 74.01 H new ATOM 0 HB2 CYS A 9 5.002 -1.921 3.534 1.00 62.02 H new ATOM 0 HB3 CYS A 9 3.960 -1.359 4.826 1.00 62.02 H new ATOM 0 HG CYS A 9 3.644 -4.526 5.079 1.00 3.12 H new ATOM 133 N PHE A 10 3.142 -2.955 0.909 1.00 21.34 N ATOM 134 CA PHE A 10 3.424 -3.809 -0.239 1.00 11.21 C ATOM 135 C PHE A 10 4.211 -3.048 -1.302 1.00 52.00 C ATOM 136 O PHE A 10 4.276 -1.818 -1.282 1.00 65.40 O ATOM 137 CB PHE A 10 2.120 -4.342 -0.837 1.00 43.21 C ATOM 138 CG PHE A 10 1.505 -3.420 -1.851 1.00 11.23 C ATOM 139 CD1 PHE A 10 0.950 -2.211 -1.461 1.00 24.42 C ATOM 140 CD2 PHE A 10 1.481 -3.761 -3.193 1.00 64.42 C ATOM 141 CE1 PHE A 10 0.383 -1.362 -2.391 1.00 52.34 C ATOM 142 CE2 PHE A 10 0.916 -2.915 -4.129 1.00 34.45 C ATOM 143 CZ PHE A 10 0.366 -1.714 -3.727 1.00 44.50 C ATOM 0 H PHE A 10 2.855 -2.006 0.669 1.00 21.34 H new ATOM 0 HA PHE A 10 4.028 -4.649 0.104 1.00 11.21 H new ATOM 0 HB2 PHE A 10 2.312 -5.308 -1.305 1.00 43.21 H new ATOM 0 HB3 PHE A 10 1.404 -4.514 -0.033 1.00 43.21 H new ATOM 0 HD1 PHE A 10 0.961 -1.930 -0.418 1.00 24.42 H new ATOM 0 HD2 PHE A 10 1.909 -4.700 -3.512 1.00 64.42 H new ATOM 0 HE1 PHE A 10 -0.047 -0.423 -2.074 1.00 52.34 H new ATOM 0 HE2 PHE A 10 0.905 -3.193 -5.173 1.00 34.45 H new ATOM 0 HZ PHE A 10 -0.077 -1.051 -4.456 1.00 44.50 H new ATOM 153 N THR A 11 4.808 -3.788 -2.231 1.00 22.43 N ATOM 154 CA THR A 11 5.592 -3.186 -3.301 1.00 43.41 C ATOM 155 C THR A 11 5.183 -3.739 -4.661 1.00 54.43 C ATOM 156 O THR A 11 5.186 -4.951 -4.877 1.00 31.44 O ATOM 157 CB THR A 11 7.100 -3.424 -3.096 1.00 22.13 C ATOM 158 OG1 THR A 11 7.430 -3.305 -1.708 1.00 4.55 O ATOM 159 CG2 THR A 11 7.920 -2.431 -3.905 1.00 3.32 C ATOM 0 H THR A 11 4.763 -4.806 -2.263 1.00 22.43 H new ATOM 0 HA THR A 11 5.394 -2.115 -3.273 1.00 43.41 H new ATOM 0 HB THR A 11 7.337 -4.431 -3.440 1.00 22.13 H new ATOM 0 HG1 THR A 11 8.390 -3.459 -1.586 1.00 4.55 H new ATOM 0 HG21 THR A 11 8.981 -2.619 -3.744 1.00 3.32 H new ATOM 0 HG22 THR A 11 7.688 -2.545 -4.964 1.00 3.32 H new ATOM 0 HG23 THR A 11 7.679 -1.416 -3.588 1.00 3.32 H new ATOM 167 N LEU A 12 4.831 -2.843 -5.577 1.00 54.11 N ATOM 168 CA LEU A 12 4.419 -3.242 -6.919 1.00 11.44 C ATOM 169 C LEU A 12 5.489 -2.886 -7.945 1.00 45.31 C ATOM 170 O LEU A 12 5.823 -1.716 -8.129 1.00 13.24 O ATOM 171 CB LEU A 12 3.097 -2.567 -7.289 1.00 73.41 C ATOM 172 CG LEU A 12 2.264 -3.268 -8.363 1.00 35.54 C ATOM 173 CD1 LEU A 12 1.961 -4.701 -7.952 1.00 70.33 C ATOM 174 CD2 LEU A 12 0.974 -2.503 -8.622 1.00 4.52 C ATOM 0 H LEU A 12 4.823 -1.836 -5.415 1.00 54.11 H new ATOM 0 HA LEU A 12 4.282 -4.323 -6.924 1.00 11.44 H new ATOM 0 HB2 LEU A 12 2.491 -2.480 -6.387 1.00 73.41 H new ATOM 0 HB3 LEU A 12 3.312 -1.553 -7.628 1.00 73.41 H new ATOM 0 HG LEU A 12 2.842 -3.290 -9.287 1.00 35.54 H new ATOM 0 HD11 LEU A 12 1.368 -5.184 -8.728 1.00 70.33 H new ATOM 0 HD12 LEU A 12 2.895 -5.246 -7.817 1.00 70.33 H new ATOM 0 HD13 LEU A 12 1.403 -4.701 -7.016 1.00 70.33 H new ATOM 0 HD21 LEU A 12 0.394 -3.016 -9.389 1.00 4.52 H new ATOM 0 HD22 LEU A 12 0.392 -2.449 -7.702 1.00 4.52 H new ATOM 0 HD23 LEU A 12 1.211 -1.494 -8.961 1.00 4.52 H new ATOM 186 N ASN A 13 6.023 -3.903 -8.613 1.00 61.31 N ATOM 187 CA ASN A 13 7.055 -3.698 -9.623 1.00 51.40 C ATOM 188 C ASN A 13 6.473 -3.819 -11.028 1.00 52.11 C ATOM 189 O ASN A 13 5.708 -4.738 -11.317 1.00 21.34 O ATOM 190 CB ASN A 13 8.187 -4.710 -9.439 1.00 2.12 C ATOM 191 CG ASN A 13 8.804 -4.642 -8.055 1.00 31.10 C ATOM 192 OD1 ASN A 13 8.793 -3.594 -7.409 1.00 34.31 O ATOM 193 ND2 ASN A 13 9.347 -5.763 -7.594 1.00 14.13 N ATOM 0 H ASN A 13 5.758 -4.878 -8.473 1.00 61.31 H new ATOM 0 HA ASN A 13 7.454 -2.691 -9.499 1.00 51.40 H new ATOM 0 HB2 ASN A 13 7.804 -5.715 -9.614 1.00 2.12 H new ATOM 0 HB3 ASN A 13 8.959 -4.528 -10.187 1.00 2.12 H new ATOM 0 HD21 ASN A 13 9.778 -5.778 -6.670 1.00 14.13 H new ATOM 0 HD22 ASN A 13 9.333 -6.609 -8.164 1.00 14.13 H new ATOM 200 N ASN A 14 6.842 -2.884 -11.898 1.00 75.32 N ATOM 201 CA ASN A 14 6.356 -2.886 -13.273 1.00 62.34 C ATOM 202 C ASN A 14 4.840 -3.049 -13.315 1.00 13.51 C ATOM 203 O ASN A 14 4.309 -4.019 -13.856 1.00 11.30 O ATOM 204 CB ASN A 14 7.023 -4.010 -14.070 1.00 35.12 C ATOM 205 CG ASN A 14 6.816 -3.860 -15.565 1.00 23.23 C ATOM 206 OD1 ASN A 14 6.576 -2.760 -16.062 1.00 71.12 O ATOM 207 ND2 ASN A 14 6.909 -4.970 -16.289 1.00 4.53 N ATOM 0 H ASN A 14 7.475 -2.116 -11.675 1.00 75.32 H new ATOM 0 HA ASN A 14 6.613 -1.927 -13.724 1.00 62.34 H new ATOM 0 HB2 ASN A 14 8.091 -4.021 -13.853 1.00 35.12 H new ATOM 0 HB3 ASN A 14 6.622 -4.970 -13.745 1.00 35.12 H new ATOM 0 HD21 ASN A 14 6.780 -4.932 -17.300 1.00 4.53 H new ATOM 0 HD22 ASN A 14 7.110 -5.860 -15.834 1.00 4.53 H new ATOM 214 N PRO A 15 4.124 -2.076 -12.730 1.00 64.05 N ATOM 215 CA PRO A 15 2.659 -2.087 -12.688 1.00 62.42 C ATOM 216 C PRO A 15 2.038 -1.854 -14.061 1.00 12.00 C ATOM 217 O PRO A 15 2.545 -1.062 -14.857 1.00 31.31 O ATOM 218 CB PRO A 15 2.323 -0.930 -11.745 1.00 54.40 C ATOM 219 CG PRO A 15 3.492 -0.011 -11.840 1.00 31.50 C ATOM 220 CD PRO A 15 4.691 -0.890 -12.066 1.00 60.14 C ATOM 0 HA PRO A 15 2.268 -3.050 -12.359 1.00 62.42 H new ATOM 0 HB2 PRO A 15 1.402 -0.430 -12.044 1.00 54.40 H new ATOM 0 HB3 PRO A 15 2.178 -1.281 -10.723 1.00 54.40 H new ATOM 0 HG2 PRO A 15 3.367 0.697 -12.659 1.00 31.50 H new ATOM 0 HG3 PRO A 15 3.604 0.575 -10.927 1.00 31.50 H new ATOM 0 HD2 PRO A 15 5.438 -0.399 -12.690 1.00 60.14 H new ATOM 0 HD3 PRO A 15 5.181 -1.150 -11.128 1.00 60.14 H new ATOM 228 N LEU A 16 0.937 -2.547 -14.333 1.00 4.24 N ATOM 229 CA LEU A 16 0.246 -2.414 -15.610 1.00 72.52 C ATOM 230 C LEU A 16 -0.757 -1.265 -15.570 1.00 64.53 C ATOM 231 O LEU A 16 -1.369 -0.927 -16.583 1.00 61.32 O ATOM 232 CB LEU A 16 -0.471 -3.719 -15.962 1.00 64.43 C ATOM 233 CG LEU A 16 0.326 -4.716 -16.804 1.00 61.53 C ATOM 234 CD1 LEU A 16 0.682 -4.111 -18.153 1.00 64.32 C ATOM 235 CD2 LEU A 16 1.582 -5.154 -16.066 1.00 25.34 C ATOM 0 H LEU A 16 0.504 -3.206 -13.686 1.00 4.24 H new ATOM 0 HA LEU A 16 0.990 -2.196 -16.376 1.00 72.52 H new ATOM 0 HB2 LEU A 16 -0.765 -4.210 -15.035 1.00 64.43 H new ATOM 0 HB3 LEU A 16 -1.388 -3.473 -16.497 1.00 64.43 H new ATOM 0 HG LEU A 16 -0.295 -5.595 -16.976 1.00 61.53 H new ATOM 0 HD11 LEU A 16 1.249 -4.835 -18.738 1.00 64.32 H new ATOM 0 HD12 LEU A 16 -0.232 -3.849 -18.687 1.00 64.32 H new ATOM 0 HD13 LEU A 16 1.284 -3.215 -18.002 1.00 64.32 H new ATOM 0 HD21 LEU A 16 2.136 -5.863 -16.681 1.00 25.34 H new ATOM 0 HD22 LEU A 16 2.207 -4.284 -15.863 1.00 25.34 H new ATOM 0 HD23 LEU A 16 1.304 -5.629 -15.125 1.00 25.34 H new ATOM 247 N SER A 17 -0.917 -0.668 -14.394 1.00 52.41 N ATOM 248 CA SER A 17 -1.846 0.443 -14.222 1.00 34.14 C ATOM 249 C SER A 17 -1.835 0.942 -12.780 1.00 33.42 C ATOM 250 O SER A 17 -1.410 0.245 -11.858 1.00 64.12 O ATOM 251 CB SER A 17 -3.262 0.017 -14.615 1.00 31.21 C ATOM 252 OG SER A 17 -3.463 -1.366 -14.378 1.00 11.24 O ATOM 0 H SER A 17 -0.416 -0.934 -13.546 1.00 52.41 H new ATOM 0 HA SER A 17 -1.525 1.257 -14.872 1.00 34.14 H new ATOM 0 HB2 SER A 17 -3.990 0.596 -14.047 1.00 31.21 H new ATOM 0 HB3 SER A 17 -3.432 0.237 -15.669 1.00 31.21 H new ATOM 0 HG SER A 17 -4.376 -1.613 -14.636 1.00 11.24 H new ATOM 258 N PRO A 18 -2.315 2.178 -12.579 1.00 4.14 N ATOM 259 CA PRO A 18 -2.372 2.799 -11.252 1.00 23.22 C ATOM 260 C PRO A 18 -3.411 2.143 -10.349 1.00 52.03 C ATOM 261 O PRO A 18 -4.402 1.588 -10.827 1.00 42.31 O ATOM 262 CB PRO A 18 -2.764 4.247 -11.554 1.00 44.24 C ATOM 263 CG PRO A 18 -3.484 4.180 -12.856 1.00 55.54 C ATOM 264 CD PRO A 18 -2.838 3.065 -13.631 1.00 13.22 C ATOM 0 HA PRO A 18 -1.428 2.702 -10.716 1.00 23.22 H new ATOM 0 HB2 PRO A 18 -3.401 4.657 -10.770 1.00 44.24 H new ATOM 0 HB3 PRO A 18 -1.886 4.890 -11.620 1.00 44.24 H new ATOM 0 HG2 PRO A 18 -4.546 3.986 -12.705 1.00 55.54 H new ATOM 0 HG3 PRO A 18 -3.406 5.125 -13.394 1.00 55.54 H new ATOM 0 HD2 PRO A 18 -3.556 2.551 -14.270 1.00 13.22 H new ATOM 0 HD3 PRO A 18 -2.042 3.434 -14.278 1.00 13.22 H new ATOM 272 N LEU A 19 -3.180 2.210 -9.043 1.00 13.31 N ATOM 273 CA LEU A 19 -4.098 1.623 -8.072 1.00 42.25 C ATOM 274 C LEU A 19 -5.311 2.523 -7.856 1.00 65.32 C ATOM 275 O LEU A 19 -5.337 3.666 -8.312 1.00 1.05 O ATOM 276 CB LEU A 19 -3.381 1.386 -6.742 1.00 60.32 C ATOM 277 CG LEU A 19 -2.005 0.726 -6.830 1.00 25.41 C ATOM 278 CD1 LEU A 19 -1.196 1.008 -5.573 1.00 70.02 C ATOM 279 CD2 LEU A 19 -2.145 -0.774 -7.050 1.00 51.43 C ATOM 0 H LEU A 19 -2.365 2.665 -8.631 1.00 13.31 H new ATOM 0 HA LEU A 19 -4.444 0.668 -8.467 1.00 42.25 H new ATOM 0 HB2 LEU A 19 -3.270 2.345 -6.236 1.00 60.32 H new ATOM 0 HB3 LEU A 19 -4.020 0.766 -6.113 1.00 60.32 H new ATOM 0 HG LEU A 19 -1.474 1.150 -7.682 1.00 25.41 H new ATOM 0 HD11 LEU A 19 -0.220 0.530 -5.654 1.00 70.02 H new ATOM 0 HD12 LEU A 19 -1.065 2.084 -5.458 1.00 70.02 H new ATOM 0 HD13 LEU A 19 -1.723 0.612 -4.705 1.00 70.02 H new ATOM 0 HD21 LEU A 19 -1.155 -1.227 -7.110 1.00 51.43 H new ATOM 0 HD22 LEU A 19 -2.695 -1.214 -6.218 1.00 51.43 H new ATOM 0 HD23 LEU A 19 -2.685 -0.957 -7.979 1.00 51.43 H new ATOM 291 N SER A 20 -6.312 1.999 -7.157 1.00 31.03 N ATOM 292 CA SER A 20 -7.529 2.754 -6.881 1.00 42.01 C ATOM 293 C SER A 20 -8.139 2.333 -5.548 1.00 10.14 C ATOM 294 O SER A 20 -7.825 1.267 -5.017 1.00 31.22 O ATOM 295 CB SER A 20 -8.545 2.552 -8.006 1.00 54.34 C ATOM 296 OG SER A 20 -8.058 3.068 -9.233 1.00 2.32 O ATOM 0 H SER A 20 -6.305 1.055 -6.771 1.00 31.03 H new ATOM 0 HA SER A 20 -7.267 3.810 -6.823 1.00 42.01 H new ATOM 0 HB2 SER A 20 -8.764 1.490 -8.116 1.00 54.34 H new ATOM 0 HB3 SER A 20 -9.482 3.045 -7.747 1.00 54.34 H new ATOM 0 HG SER A 20 -8.726 2.925 -9.936 1.00 2.32 H new ATOM 302 N LEU A 21 -9.013 3.178 -5.011 1.00 63.13 N ATOM 303 CA LEU A 21 -9.669 2.895 -3.739 1.00 45.12 C ATOM 304 C LEU A 21 -10.467 1.597 -3.815 1.00 3.53 C ATOM 305 O LEU A 21 -10.931 1.203 -4.885 1.00 15.51 O ATOM 306 CB LEU A 21 -10.590 4.052 -3.350 1.00 11.22 C ATOM 307 CG LEU A 21 -11.517 3.801 -2.160 1.00 72.31 C ATOM 308 CD1 LEU A 21 -10.712 3.637 -0.881 1.00 4.54 C ATOM 309 CD2 LEU A 21 -12.523 4.934 -2.019 1.00 3.15 C ATOM 0 H LEU A 21 -9.284 4.065 -5.437 1.00 63.13 H new ATOM 0 HA LEU A 21 -8.898 2.781 -2.977 1.00 45.12 H new ATOM 0 HB2 LEU A 21 -9.973 4.922 -3.127 1.00 11.22 H new ATOM 0 HB3 LEU A 21 -11.203 4.309 -4.214 1.00 11.22 H new ATOM 0 HG LEU A 21 -12.065 2.876 -2.340 1.00 72.31 H new ATOM 0 HD11 LEU A 21 -11.389 3.459 -0.045 1.00 4.54 H new ATOM 0 HD12 LEU A 21 -10.033 2.791 -0.984 1.00 4.54 H new ATOM 0 HD13 LEU A 21 -10.136 4.543 -0.695 1.00 4.54 H new ATOM 0 HD21 LEU A 21 -13.174 4.738 -1.167 1.00 3.15 H new ATOM 0 HD22 LEU A 21 -11.993 5.874 -1.862 1.00 3.15 H new ATOM 0 HD23 LEU A 21 -13.123 5.003 -2.926 1.00 3.15 H new ATOM 321 N HIS A 22 -10.624 0.938 -2.671 1.00 61.03 N ATOM 322 CA HIS A 22 -11.369 -0.314 -2.607 1.00 62.43 C ATOM 323 C HIS A 22 -12.586 -0.177 -1.698 1.00 0.33 C ATOM 324 O HIS A 22 -12.504 0.411 -0.619 1.00 44.21 O ATOM 325 CB HIS A 22 -10.468 -1.443 -2.106 1.00 22.24 C ATOM 326 CG HIS A 22 -10.979 -2.811 -2.440 1.00 4.21 C ATOM 327 ND1 HIS A 22 -10.934 -3.868 -1.556 1.00 5.03 N ATOM 328 CD2 HIS A 22 -11.550 -3.291 -3.569 1.00 65.03 C ATOM 329 CE1 HIS A 22 -11.453 -4.940 -2.127 1.00 40.34 C ATOM 330 NE2 HIS A 22 -11.835 -4.616 -3.350 1.00 21.23 N ATOM 0 H HIS A 22 -10.246 1.250 -1.777 1.00 61.03 H new ATOM 0 HA HIS A 22 -11.714 -0.554 -3.613 1.00 62.43 H new ATOM 0 HB2 HIS A 22 -9.474 -1.321 -2.535 1.00 22.24 H new ATOM 0 HB3 HIS A 22 -10.361 -1.358 -1.025 1.00 22.24 H new ATOM 0 HD2 HIS A 22 -11.745 -2.735 -4.474 1.00 65.03 H new ATOM 0 HE1 HIS A 22 -11.549 -5.915 -1.672 1.00 40.34 H new ATOM 0 HE2 HIS A 22 -12.271 -5.248 -4.022 1.00 21.23 H new ATOM 338 N ASP A 23 -13.714 -0.721 -2.140 1.00 62.53 N ATOM 339 CA ASP A 23 -14.948 -0.660 -1.366 1.00 50.30 C ATOM 340 C ASP A 23 -14.785 -1.369 -0.025 1.00 63.24 C ATOM 341 O ASP A 23 -15.506 -1.085 0.931 1.00 41.43 O ATOM 342 CB ASP A 23 -16.100 -1.287 -2.152 1.00 73.21 C ATOM 343 CG ASP A 23 -16.517 -0.444 -3.341 1.00 10.31 C ATOM 344 OD1 ASP A 23 -15.708 -0.304 -4.283 1.00 34.34 O ATOM 345 OD2 ASP A 23 -17.652 0.076 -3.330 1.00 52.21 O ATOM 0 H ASP A 23 -13.799 -1.210 -3.031 1.00 62.53 H new ATOM 0 HA ASP A 23 -15.177 0.389 -1.176 1.00 50.30 H new ATOM 0 HB2 ASP A 23 -15.803 -2.277 -2.499 1.00 73.21 H new ATOM 0 HB3 ASP A 23 -16.955 -1.424 -1.490 1.00 73.21 H new ATOM 350 N SER A 24 -13.833 -2.295 0.036 1.00 3.34 N ATOM 351 CA SER A 24 -13.578 -3.049 1.258 1.00 3.32 C ATOM 352 C SER A 24 -12.651 -2.275 2.191 1.00 43.23 C ATOM 353 O SER A 24 -12.849 -2.255 3.405 1.00 74.20 O ATOM 354 CB SER A 24 -12.964 -4.410 0.924 1.00 3.52 C ATOM 355 OG SER A 24 -13.606 -4.998 -0.194 1.00 23.25 O ATOM 0 H SER A 24 -13.226 -2.541 -0.746 1.00 3.34 H new ATOM 0 HA SER A 24 -14.530 -3.203 1.766 1.00 3.32 H new ATOM 0 HB2 SER A 24 -11.901 -4.292 0.716 1.00 3.52 H new ATOM 0 HB3 SER A 24 -13.049 -5.072 1.786 1.00 3.52 H new ATOM 0 HG SER A 24 -13.308 -5.926 -0.291 1.00 23.25 H new ATOM 361 N MET A 25 -11.637 -1.638 1.613 1.00 73.43 N ATOM 362 CA MET A 25 -10.679 -0.862 2.391 1.00 15.42 C ATOM 363 C MET A 25 -11.306 0.439 2.883 1.00 52.33 C ATOM 364 O MET A 25 -12.496 0.683 2.681 1.00 71.54 O ATOM 365 CB MET A 25 -9.436 -0.558 1.553 1.00 10.33 C ATOM 366 CG MET A 25 -9.607 0.630 0.620 1.00 13.25 C ATOM 367 SD MET A 25 -8.053 1.156 -0.128 1.00 31.35 S ATOM 368 CE MET A 25 -7.649 -0.283 -1.114 1.00 62.24 C ATOM 0 H MET A 25 -11.458 -1.644 0.609 1.00 73.43 H new ATOM 0 HA MET A 25 -10.387 -1.455 3.258 1.00 15.42 H new ATOM 0 HB2 MET A 25 -8.596 -0.367 2.221 1.00 10.33 H new ATOM 0 HB3 MET A 25 -9.181 -1.439 0.963 1.00 10.33 H new ATOM 0 HG2 MET A 25 -10.315 0.370 -0.167 1.00 13.25 H new ATOM 0 HG3 MET A 25 -10.039 1.463 1.174 1.00 13.25 H new ATOM 0 HE1 MET A 25 -6.576 -0.304 -1.304 1.00 62.24 H new ATOM 0 HE2 MET A 25 -7.941 -1.186 -0.577 1.00 62.24 H new ATOM 0 HE3 MET A 25 -8.184 -0.236 -2.062 1.00 62.24 H new ATOM 378 N LYS A 26 -10.498 1.273 3.529 1.00 33.34 N ATOM 379 CA LYS A 26 -10.973 2.550 4.049 1.00 24.44 C ATOM 380 C LYS A 26 -10.063 3.690 3.604 1.00 0.10 C ATOM 381 O LYS A 26 -10.532 4.785 3.291 1.00 63.31 O ATOM 382 CB LYS A 26 -11.044 2.507 5.578 1.00 65.35 C ATOM 383 CG LYS A 26 -12.444 2.712 6.127 1.00 35.24 C ATOM 384 CD LYS A 26 -12.667 1.910 7.399 1.00 13.40 C ATOM 385 CE LYS A 26 -14.096 1.398 7.492 1.00 54.02 C ATOM 386 NZ LYS A 26 -14.956 2.297 8.310 1.00 1.34 N ATOM 0 H LYS A 26 -9.511 1.087 3.705 1.00 33.34 H new ATOM 0 HA LYS A 26 -11.972 2.728 3.650 1.00 24.44 H new ATOM 0 HB2 LYS A 26 -10.664 1.546 5.924 1.00 65.35 H new ATOM 0 HB3 LYS A 26 -10.387 3.275 5.986 1.00 65.35 H new ATOM 0 HG2 LYS A 26 -12.605 3.771 6.330 1.00 35.24 H new ATOM 0 HG3 LYS A 26 -13.177 2.417 5.376 1.00 35.24 H new ATOM 0 HD2 LYS A 26 -11.975 1.068 7.425 1.00 13.40 H new ATOM 0 HD3 LYS A 26 -12.445 2.532 8.266 1.00 13.40 H new ATOM 0 HE2 LYS A 26 -14.515 1.308 6.490 1.00 54.02 H new ATOM 0 HE3 LYS A 26 -14.096 0.399 7.929 1.00 54.02 H new ATOM 0 HZ1 LYS A 26 -15.922 1.913 8.349 1.00 1.34 H new ATOM 0 HZ2 LYS A 26 -14.571 2.363 9.274 1.00 1.34 H new ATOM 0 HZ3 LYS A 26 -14.977 3.244 7.880 1.00 1.34 H new ATOM 400 N TYR A 27 -8.761 3.426 3.577 1.00 54.33 N ATOM 401 CA TYR A 27 -7.786 4.431 3.170 1.00 13.21 C ATOM 402 C TYR A 27 -6.812 3.861 2.144 1.00 24.23 C ATOM 403 O TYR A 27 -6.470 2.678 2.185 1.00 11.03 O ATOM 404 CB TYR A 27 -7.018 4.949 4.387 1.00 20.54 C ATOM 405 CG TYR A 27 -6.411 6.318 4.183 1.00 2.10 C ATOM 406 CD1 TYR A 27 -7.173 7.371 3.690 1.00 24.45 C ATOM 407 CD2 TYR A 27 -5.076 6.559 4.481 1.00 4.54 C ATOM 408 CE1 TYR A 27 -6.622 8.624 3.501 1.00 31.44 C ATOM 409 CE2 TYR A 27 -4.517 7.809 4.297 1.00 51.41 C ATOM 410 CZ TYR A 27 -5.294 8.838 3.807 1.00 52.05 C ATOM 411 OH TYR A 27 -4.741 10.084 3.620 1.00 53.20 O ATOM 0 H TYR A 27 -8.357 2.525 3.832 1.00 54.33 H new ATOM 0 HA TYR A 27 -8.326 5.259 2.710 1.00 13.21 H new ATOM 0 HB2 TYR A 27 -7.692 4.984 5.243 1.00 20.54 H new ATOM 0 HB3 TYR A 27 -6.225 4.243 4.633 1.00 20.54 H new ATOM 0 HD1 TYR A 27 -8.213 7.207 3.451 1.00 24.45 H new ATOM 0 HD2 TYR A 27 -4.464 5.755 4.863 1.00 4.54 H new ATOM 0 HE1 TYR A 27 -7.228 9.431 3.116 1.00 31.44 H new ATOM 0 HE2 TYR A 27 -3.478 7.979 4.535 1.00 51.41 H new ATOM 0 HH TYR A 27 -3.886 10.137 4.095 1.00 53.20 H new ATOM 421 N LEU A 28 -6.367 4.710 1.225 1.00 43.21 N ATOM 422 CA LEU A 28 -5.430 4.293 0.187 1.00 32.12 C ATOM 423 C LEU A 28 -4.245 5.250 0.106 1.00 13.01 C ATOM 424 O LEU A 28 -4.420 6.460 -0.038 1.00 1.11 O ATOM 425 CB LEU A 28 -6.137 4.223 -1.167 1.00 74.24 C ATOM 426 CG LEU A 28 -5.229 4.169 -2.397 1.00 35.04 C ATOM 427 CD1 LEU A 28 -4.177 3.083 -2.236 1.00 2.44 C ATOM 428 CD2 LEU A 28 -6.051 3.936 -3.656 1.00 64.53 C ATOM 0 H LEU A 28 -6.640 5.692 1.177 1.00 43.21 H new ATOM 0 HA LEU A 28 -5.056 3.303 0.446 1.00 32.12 H new ATOM 0 HB2 LEU A 28 -6.778 3.341 -1.174 1.00 74.24 H new ATOM 0 HB3 LEU A 28 -6.789 5.092 -1.259 1.00 74.24 H new ATOM 0 HG LEU A 28 -4.720 5.128 -2.492 1.00 35.04 H new ATOM 0 HD11 LEU A 28 -3.540 3.059 -3.120 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -3.569 3.293 -1.356 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -4.667 2.117 -2.116 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -5.389 3.900 -4.521 1.00 64.53 H new ATOM 0 HD22 LEU A 28 -6.588 2.991 -3.570 1.00 64.53 H new ATOM 0 HD23 LEU A 28 -6.766 4.749 -3.779 1.00 64.53 H new ATOM 440 N VAL A 29 -3.039 4.699 0.197 1.00 1.35 N ATOM 441 CA VAL A 29 -1.824 5.503 0.131 1.00 15.41 C ATOM 442 C VAL A 29 -0.743 4.800 -0.681 1.00 31.50 C ATOM 443 O VAL A 29 -0.329 3.688 -0.351 1.00 71.22 O ATOM 444 CB VAL A 29 -1.277 5.810 1.538 1.00 41.24 C ATOM 445 CG1 VAL A 29 0.020 6.600 1.445 1.00 21.44 C ATOM 446 CG2 VAL A 29 -2.312 6.564 2.359 1.00 20.32 C ATOM 0 H VAL A 29 -2.877 3.699 0.317 1.00 1.35 H new ATOM 0 HA VAL A 29 -2.090 6.439 -0.359 1.00 15.41 H new ATOM 0 HB VAL A 29 -1.065 4.866 2.041 1.00 41.24 H new ATOM 0 HG11 VAL A 29 0.392 6.808 2.448 1.00 21.44 H new ATOM 0 HG12 VAL A 29 0.761 6.019 0.896 1.00 21.44 H new ATOM 0 HG13 VAL A 29 -0.163 7.540 0.924 1.00 21.44 H new ATOM 0 HG21 VAL A 29 -1.909 6.773 3.350 1.00 20.32 H new ATOM 0 HG22 VAL A 29 -2.557 7.503 1.862 1.00 20.32 H new ATOM 0 HG23 VAL A 29 -3.213 5.958 2.454 1.00 20.32 H new ATOM 456 N TYR A 30 -0.289 5.454 -1.744 1.00 10.22 N ATOM 457 CA TYR A 30 0.744 4.891 -2.605 1.00 73.40 C ATOM 458 C TYR A 30 1.521 5.993 -3.317 1.00 41.40 C ATOM 459 O TYR A 30 1.012 7.096 -3.516 1.00 4.20 O ATOM 460 CB TYR A 30 0.120 3.946 -3.633 1.00 72.44 C ATOM 461 CG TYR A 30 -0.455 4.656 -4.838 1.00 62.12 C ATOM 462 CD1 TYR A 30 -1.769 5.106 -4.843 1.00 33.52 C ATOM 463 CD2 TYR A 30 0.318 4.878 -5.972 1.00 14.13 C ATOM 464 CE1 TYR A 30 -2.298 5.754 -5.942 1.00 14.23 C ATOM 465 CE2 TYR A 30 -0.203 5.527 -7.075 1.00 3.24 C ATOM 466 CZ TYR A 30 -1.511 5.963 -7.055 1.00 33.20 C ATOM 467 OH TYR A 30 -2.034 6.610 -8.151 1.00 73.11 O ATOM 0 H TYR A 30 -0.620 6.375 -2.030 1.00 10.22 H new ATOM 0 HA TYR A 30 1.437 4.330 -1.978 1.00 73.40 H new ATOM 0 HB2 TYR A 30 0.876 3.236 -3.967 1.00 72.44 H new ATOM 0 HB3 TYR A 30 -0.669 3.369 -3.151 1.00 72.44 H new ATOM 0 HD1 TYR A 30 -2.388 4.946 -3.972 1.00 33.52 H new ATOM 0 HD2 TYR A 30 1.343 4.538 -5.991 1.00 14.13 H new ATOM 0 HE1 TYR A 30 -3.323 6.095 -5.930 1.00 14.23 H new ATOM 0 HE2 TYR A 30 0.411 5.692 -7.948 1.00 3.24 H new ATOM 0 HH TYR A 30 -1.349 6.677 -8.849 1.00 73.11 H new ATOM 477 N GLN A 31 2.757 5.686 -3.698 1.00 74.24 N ATOM 478 CA GLN A 31 3.605 6.650 -4.388 1.00 50.33 C ATOM 479 C GLN A 31 4.426 5.971 -5.480 1.00 34.14 C ATOM 480 O GLN A 31 4.658 4.762 -5.436 1.00 11.23 O ATOM 481 CB GLN A 31 4.535 7.347 -3.393 1.00 71.23 C ATOM 482 CG GLN A 31 5.649 6.453 -2.873 1.00 70.34 C ATOM 483 CD GLN A 31 6.921 7.220 -2.572 1.00 40.43 C ATOM 484 OE1 GLN A 31 8.021 6.777 -2.904 1.00 72.01 O ATOM 485 NE2 GLN A 31 6.778 8.380 -1.940 1.00 73.54 N ATOM 0 H GLN A 31 3.193 4.777 -3.540 1.00 74.24 H new ATOM 0 HA GLN A 31 2.960 7.394 -4.855 1.00 50.33 H new ATOM 0 HB2 GLN A 31 4.976 8.222 -3.872 1.00 71.23 H new ATOM 0 HB3 GLN A 31 3.946 7.708 -2.550 1.00 71.23 H new ATOM 0 HG2 GLN A 31 5.311 5.948 -1.968 1.00 70.34 H new ATOM 0 HG3 GLN A 31 5.862 5.679 -3.610 1.00 70.34 H new ATOM 0 HE21 GLN A 31 5.847 8.710 -1.683 1.00 73.54 H new ATOM 0 HE22 GLN A 31 7.599 8.941 -1.712 1.00 73.54 H new ATOM 494 N THR A 32 4.863 6.755 -6.460 1.00 12.52 N ATOM 495 CA THR A 32 5.656 6.230 -7.563 1.00 61.35 C ATOM 496 C THR A 32 7.148 6.383 -7.290 1.00 31.40 C ATOM 497 O THR A 32 7.602 7.437 -6.847 1.00 54.34 O ATOM 498 CB THR A 32 5.314 6.937 -8.888 1.00 75.24 C ATOM 499 OG1 THR A 32 3.894 6.977 -9.069 1.00 73.25 O ATOM 500 CG2 THR A 32 5.960 6.223 -10.066 1.00 21.22 C ATOM 0 H THR A 32 4.681 7.757 -6.512 1.00 12.52 H new ATOM 0 HA THR A 32 5.412 5.171 -7.651 1.00 61.35 H new ATOM 0 HB THR A 32 5.704 7.954 -8.842 1.00 75.24 H new ATOM 0 HG1 THR A 32 3.516 7.705 -8.532 1.00 73.25 H new ATOM 0 HG21 THR A 32 5.704 6.741 -10.990 1.00 21.22 H new ATOM 0 HG22 THR A 32 7.043 6.219 -9.940 1.00 21.22 H new ATOM 0 HG23 THR A 32 5.597 5.196 -10.113 1.00 21.22 H new ATOM 508 N GLU A 33 7.906 5.323 -7.557 1.00 54.41 N ATOM 509 CA GLU A 33 9.347 5.342 -7.339 1.00 62.31 C ATOM 510 C GLU A 33 10.089 4.804 -8.559 1.00 71.05 C ATOM 511 O GLU A 33 9.514 4.094 -9.384 1.00 21.10 O ATOM 512 CB GLU A 33 9.709 4.515 -6.103 1.00 61.15 C ATOM 513 CG GLU A 33 9.624 5.295 -4.803 1.00 13.34 C ATOM 514 CD GLU A 33 10.782 5.002 -3.869 1.00 62.12 C ATOM 515 OE1 GLU A 33 11.307 3.870 -3.911 1.00 74.51 O ATOM 516 OE2 GLU A 33 11.164 5.906 -3.097 1.00 24.12 O ATOM 0 H GLU A 33 7.546 4.442 -7.924 1.00 54.41 H new ATOM 0 HA GLU A 33 9.651 6.376 -7.177 1.00 62.31 H new ATOM 0 HB2 GLU A 33 9.043 3.654 -6.045 1.00 61.15 H new ATOM 0 HB3 GLU A 33 10.721 4.128 -6.219 1.00 61.15 H new ATOM 0 HG2 GLU A 33 9.602 6.362 -5.025 1.00 13.34 H new ATOM 0 HG3 GLU A 33 8.687 5.055 -4.300 1.00 13.34 H new ATOM 523 N GLN A 34 11.368 5.149 -8.667 1.00 20.24 N ATOM 524 CA GLN A 34 12.188 4.702 -9.786 1.00 70.15 C ATOM 525 C GLN A 34 13.125 3.577 -9.360 1.00 62.20 C ATOM 526 O GLN A 34 13.693 3.608 -8.269 1.00 43.53 O ATOM 527 CB GLN A 34 12.998 5.870 -10.351 1.00 1.10 C ATOM 528 CG GLN A 34 13.393 5.689 -11.808 1.00 24.24 C ATOM 529 CD GLN A 34 12.776 6.735 -12.714 1.00 70.05 C ATOM 530 OE1 GLN A 34 13.018 7.932 -12.556 1.00 22.23 O ATOM 531 NE2 GLN A 34 11.973 6.288 -13.673 1.00 52.30 N ATOM 0 H GLN A 34 11.859 5.737 -7.993 1.00 20.24 H new ATOM 0 HA GLN A 34 11.523 4.322 -10.561 1.00 70.15 H new ATOM 0 HB2 GLN A 34 12.416 6.786 -10.252 1.00 1.10 H new ATOM 0 HB3 GLN A 34 13.900 5.999 -9.752 1.00 1.10 H new ATOM 0 HG2 GLN A 34 14.479 5.734 -11.894 1.00 24.24 H new ATOM 0 HG3 GLN A 34 13.087 4.698 -12.143 1.00 24.24 H new ATOM 0 HE21 GLN A 34 11.800 5.287 -13.768 1.00 52.30 H new ATOM 0 HE22 GLN A 34 11.529 6.945 -14.314 1.00 52.30 H new ATOM 540 N GLY A 35 13.282 2.582 -10.229 1.00 12.25 N ATOM 541 CA GLY A 35 14.151 1.461 -9.923 1.00 74.41 C ATOM 542 C GLY A 35 13.914 0.277 -10.840 1.00 52.23 C ATOM 543 O GLY A 35 13.031 0.315 -11.697 1.00 10.24 O ATOM 0 H GLY A 35 12.823 2.533 -11.139 1.00 12.25 H new ATOM 0 HA2 GLY A 35 15.191 1.778 -10.005 1.00 74.41 H new ATOM 0 HA3 GLY A 35 13.992 1.154 -8.889 1.00 74.41 H new ATOM 547 N GLU A 36 14.705 -0.776 -10.662 1.00 4.32 N ATOM 548 CA GLU A 36 14.578 -1.974 -11.483 1.00 21.13 C ATOM 549 C GLU A 36 14.255 -1.611 -12.929 1.00 43.03 C ATOM 550 O GLU A 36 13.092 -1.595 -13.332 1.00 24.04 O ATOM 551 CB GLU A 36 13.490 -2.891 -10.921 1.00 32.15 C ATOM 552 CG GLU A 36 12.210 -2.161 -10.551 1.00 55.13 C ATOM 553 CD GLU A 36 11.135 -3.095 -10.030 1.00 11.14 C ATOM 554 OE1 GLU A 36 11.250 -4.317 -10.259 1.00 75.24 O ATOM 555 OE2 GLU A 36 10.180 -2.604 -9.392 1.00 72.33 O ATOM 0 H GLU A 36 15.440 -0.824 -9.957 1.00 4.32 H new ATOM 0 HA GLU A 36 15.533 -2.500 -11.463 1.00 21.13 H new ATOM 0 HB2 GLU A 36 13.259 -3.661 -11.657 1.00 32.15 H new ATOM 0 HB3 GLU A 36 13.876 -3.400 -10.038 1.00 32.15 H new ATOM 0 HG2 GLU A 36 12.431 -1.409 -9.793 1.00 55.13 H new ATOM 0 HG3 GLU A 36 11.833 -1.631 -11.426 1.00 55.13 H new ATOM 562 N ALA A 37 15.294 -1.319 -13.706 1.00 34.32 N ATOM 563 CA ALA A 37 15.122 -0.958 -15.107 1.00 53.14 C ATOM 564 C ALA A 37 14.358 0.354 -15.246 1.00 54.42 C ATOM 565 O ALA A 37 13.857 0.900 -14.263 1.00 60.55 O ATOM 566 CB ALA A 37 14.403 -2.071 -15.855 1.00 72.11 C ATOM 0 H ALA A 37 16.263 -1.326 -13.388 1.00 34.32 H new ATOM 0 HA ALA A 37 16.111 -0.821 -15.545 1.00 53.14 H new ATOM 0 HB1 ALA A 37 14.281 -1.787 -16.900 1.00 72.11 H new ATOM 0 HB2 ALA A 37 14.989 -2.988 -15.794 1.00 72.11 H new ATOM 0 HB3 ALA A 37 13.423 -2.236 -15.408 1.00 72.11 H new ATOM 572 N GLY A 38 14.272 0.857 -16.474 1.00 44.51 N ATOM 573 CA GLY A 38 13.568 2.103 -16.718 1.00 64.24 C ATOM 574 C GLY A 38 12.169 2.102 -16.135 1.00 63.12 C ATOM 575 O GLY A 38 11.633 3.154 -15.789 1.00 64.31 O ATOM 0 H GLY A 38 14.677 0.424 -17.304 1.00 44.51 H new ATOM 0 HA2 GLY A 38 14.137 2.928 -16.289 1.00 64.24 H new ATOM 0 HA3 GLY A 38 13.511 2.280 -17.792 1.00 64.24 H new ATOM 579 N ASN A 39 11.575 0.918 -16.028 1.00 25.34 N ATOM 580 CA ASN A 39 10.229 0.785 -15.484 1.00 75.45 C ATOM 581 C ASN A 39 10.128 1.444 -14.112 1.00 72.32 C ATOM 582 O ASN A 39 11.131 1.878 -13.546 1.00 43.31 O ATOM 583 CB ASN A 39 9.841 -0.692 -15.383 1.00 54.12 C ATOM 584 CG ASN A 39 10.197 -1.471 -16.635 1.00 2.43 C ATOM 585 OD1 ASN A 39 10.149 -0.940 -17.744 1.00 54.24 O ATOM 586 ND2 ASN A 39 10.558 -2.737 -16.461 1.00 0.32 N ATOM 0 H ASN A 39 12.005 0.037 -16.311 1.00 25.34 H new ATOM 0 HA ASN A 39 9.539 1.290 -16.161 1.00 75.45 H new ATOM 0 HB2 ASN A 39 10.344 -1.139 -14.525 1.00 54.12 H new ATOM 0 HB3 ASN A 39 8.769 -0.772 -15.201 1.00 54.12 H new ATOM 0 HD21 ASN A 39 10.810 -3.311 -17.266 1.00 0.32 H new ATOM 0 HD22 ASN A 39 10.583 -3.136 -15.522 1.00 0.32 H new ATOM 593 N ILE A 40 8.911 1.514 -13.584 1.00 32.34 N ATOM 594 CA ILE A 40 8.679 2.118 -12.277 1.00 44.05 C ATOM 595 C ILE A 40 7.938 1.159 -11.352 1.00 5.34 C ATOM 596 O ILE A 40 7.390 0.150 -11.795 1.00 64.33 O ATOM 597 CB ILE A 40 7.873 3.425 -12.397 1.00 22.24 C ATOM 598 CG1 ILE A 40 6.930 3.360 -13.600 1.00 21.13 C ATOM 599 CG2 ILE A 40 8.811 4.617 -12.516 1.00 20.24 C ATOM 600 CD1 ILE A 40 6.020 4.562 -13.719 1.00 73.14 C ATOM 0 H ILE A 40 8.070 1.160 -14.041 1.00 32.34 H new ATOM 0 HA ILE A 40 9.658 2.342 -11.854 1.00 44.05 H new ATOM 0 HB ILE A 40 7.273 3.548 -11.495 1.00 22.24 H new ATOM 0 HG12 ILE A 40 7.522 3.271 -14.511 1.00 21.13 H new ATOM 0 HG13 ILE A 40 6.321 2.459 -13.526 1.00 21.13 H new ATOM 0 HG21 ILE A 40 8.226 5.533 -12.600 1.00 20.24 H new ATOM 0 HG22 ILE A 40 9.445 4.671 -11.631 1.00 20.24 H new ATOM 0 HG23 ILE A 40 9.435 4.502 -13.402 1.00 20.24 H new ATOM 0 HD11 ILE A 40 5.379 4.448 -14.594 1.00 73.14 H new ATOM 0 HD12 ILE A 40 5.402 4.641 -12.824 1.00 73.14 H new ATOM 0 HD13 ILE A 40 6.622 5.465 -13.825 1.00 73.14 H new ATOM 612 N HIS A 41 7.924 1.483 -10.062 1.00 63.33 N ATOM 613 CA HIS A 41 7.248 0.651 -9.073 1.00 50.20 C ATOM 614 C HIS A 41 6.478 1.511 -8.075 1.00 44.32 C ATOM 615 O HIS A 41 6.805 2.680 -7.865 1.00 65.42 O ATOM 616 CB HIS A 41 8.260 -0.225 -8.335 1.00 22.05 C ATOM 617 CG HIS A 41 9.536 0.485 -8.001 1.00 62.23 C ATOM 618 ND1 HIS A 41 10.755 -0.155 -7.923 1.00 21.24 N ATOM 619 CD2 HIS A 41 9.779 1.788 -7.727 1.00 51.04 C ATOM 620 CE1 HIS A 41 11.692 0.723 -7.613 1.00 11.20 C ATOM 621 NE2 HIS A 41 11.126 1.910 -7.489 1.00 52.24 N ATOM 0 H HIS A 41 8.373 2.315 -9.678 1.00 63.33 H new ATOM 0 HA HIS A 41 6.539 0.010 -9.597 1.00 50.20 H new ATOM 0 HB2 HIS A 41 7.807 -0.593 -7.414 1.00 22.05 H new ATOM 0 HB3 HIS A 41 8.489 -1.097 -8.948 1.00 22.05 H new ATOM 0 HD1 HIS A 41 10.909 -1.151 -8.080 1.00 21.24 H new ATOM 0 HD2 HIS A 41 9.049 2.584 -7.700 1.00 51.04 H new ATOM 0 HE1 HIS A 41 12.742 0.507 -7.483 1.00 11.20 H new ATOM 629 N PHE A 42 5.454 0.926 -7.463 1.00 50.25 N ATOM 630 CA PHE A 42 4.637 1.640 -6.489 1.00 74.50 C ATOM 631 C PHE A 42 4.971 1.194 -5.068 1.00 72.25 C ATOM 632 O PHE A 42 5.266 0.024 -4.828 1.00 64.42 O ATOM 633 CB PHE A 42 3.151 1.409 -6.772 1.00 33.12 C ATOM 634 CG PHE A 42 2.706 1.932 -8.108 1.00 3.44 C ATOM 635 CD1 PHE A 42 3.270 3.081 -8.638 1.00 53.55 C ATOM 636 CD2 PHE A 42 1.725 1.276 -8.832 1.00 73.42 C ATOM 637 CE1 PHE A 42 2.863 3.566 -9.868 1.00 23.23 C ATOM 638 CE2 PHE A 42 1.315 1.755 -10.062 1.00 33.20 C ATOM 639 CZ PHE A 42 1.884 2.902 -10.580 1.00 33.02 C ATOM 0 H PHE A 42 5.170 -0.040 -7.624 1.00 50.25 H new ATOM 0 HA PHE A 42 4.856 2.704 -6.578 1.00 74.50 H new ATOM 0 HB2 PHE A 42 2.942 0.341 -6.721 1.00 33.12 H new ATOM 0 HB3 PHE A 42 2.562 1.887 -5.989 1.00 33.12 H new ATOM 0 HD1 PHE A 42 4.036 3.604 -8.085 1.00 53.55 H new ATOM 0 HD2 PHE A 42 1.275 0.380 -8.431 1.00 73.42 H new ATOM 0 HE1 PHE A 42 3.310 4.463 -10.271 1.00 23.23 H new ATOM 0 HE2 PHE A 42 0.550 1.233 -10.618 1.00 33.20 H new ATOM 0 HZ PHE A 42 1.564 3.279 -11.540 1.00 33.02 H new ATOM 649 N GLN A 43 4.922 2.136 -4.132 1.00 72.22 N ATOM 650 CA GLN A 43 5.220 1.841 -2.736 1.00 23.42 C ATOM 651 C GLN A 43 4.339 2.666 -1.804 1.00 73.14 C ATOM 652 O GLN A 43 4.248 3.886 -1.938 1.00 22.51 O ATOM 653 CB GLN A 43 6.695 2.116 -2.438 1.00 42.24 C ATOM 654 CG GLN A 43 7.540 0.857 -2.334 1.00 24.11 C ATOM 655 CD GLN A 43 8.819 0.943 -3.144 1.00 54.14 C ATOM 656 OE1 GLN A 43 9.910 1.082 -2.591 1.00 71.02 O ATOM 657 NE2 GLN A 43 8.690 0.861 -4.463 1.00 62.35 N ATOM 0 H GLN A 43 4.679 3.110 -4.315 1.00 72.22 H new ATOM 0 HA GLN A 43 5.012 0.785 -2.562 1.00 23.42 H new ATOM 0 HB2 GLN A 43 7.103 2.753 -3.223 1.00 42.24 H new ATOM 0 HB3 GLN A 43 6.771 2.672 -1.504 1.00 42.24 H new ATOM 0 HG2 GLN A 43 7.788 0.676 -1.288 1.00 24.11 H new ATOM 0 HG3 GLN A 43 6.955 0.003 -2.675 1.00 24.11 H new ATOM 0 HE21 GLN A 43 7.766 0.746 -4.879 1.00 62.35 H new ATOM 0 HE22 GLN A 43 9.515 0.913 -5.060 1.00 62.35 H new ATOM 666 N GLY A 44 3.689 1.991 -0.860 1.00 43.52 N ATOM 667 CA GLY A 44 2.823 2.679 0.079 1.00 34.33 C ATOM 668 C GLY A 44 2.120 1.725 1.025 1.00 71.44 C ATOM 669 O GLY A 44 2.356 0.517 0.988 1.00 70.24 O ATOM 0 H GLY A 44 3.747 0.981 -0.729 1.00 43.52 H new ATOM 0 HA2 GLY A 44 3.412 3.391 0.657 1.00 34.33 H new ATOM 0 HA3 GLY A 44 2.079 3.254 -0.472 1.00 34.33 H new ATOM 673 N TYR A 45 1.255 2.267 1.875 1.00 24.20 N ATOM 674 CA TYR A 45 0.519 1.456 2.837 1.00 22.24 C ATOM 675 C TYR A 45 -0.983 1.539 2.584 1.00 1.42 C ATOM 676 O TYR A 45 -1.519 2.615 2.315 1.00 71.44 O ATOM 677 CB TYR A 45 0.833 1.909 4.264 1.00 2.31 C ATOM 678 CG TYR A 45 0.348 3.307 4.576 1.00 40.03 C ATOM 679 CD1 TYR A 45 -0.953 3.531 5.009 1.00 52.32 C ATOM 680 CD2 TYR A 45 1.190 4.403 4.436 1.00 10.33 C ATOM 681 CE1 TYR A 45 -1.401 4.807 5.294 1.00 32.41 C ATOM 682 CE2 TYR A 45 0.751 5.682 4.721 1.00 70.13 C ATOM 683 CZ TYR A 45 -0.545 5.878 5.149 1.00 53.40 C ATOM 684 OH TYR A 45 -0.987 7.151 5.432 1.00 61.31 O ATOM 0 H TYR A 45 1.046 3.265 1.917 1.00 24.20 H new ATOM 0 HA TYR A 45 0.833 0.419 2.715 1.00 22.24 H new ATOM 0 HB2 TYR A 45 0.378 1.210 4.966 1.00 2.31 H new ATOM 0 HB3 TYR A 45 1.911 1.864 4.422 1.00 2.31 H new ATOM 0 HD1 TYR A 45 -1.626 2.694 5.125 1.00 52.32 H new ATOM 0 HD2 TYR A 45 2.205 4.253 4.099 1.00 10.33 H new ATOM 0 HE1 TYR A 45 -2.416 4.964 5.628 1.00 32.41 H new ATOM 0 HE2 TYR A 45 1.419 6.523 4.609 1.00 70.13 H new ATOM 0 HH TYR A 45 -0.261 7.791 5.279 1.00 61.31 H new ATOM 694 N ILE A 46 -1.656 0.397 2.674 1.00 43.14 N ATOM 695 CA ILE A 46 -3.096 0.340 2.456 1.00 1.42 C ATOM 696 C ILE A 46 -3.807 -0.291 3.648 1.00 13.11 C ATOM 697 O ILE A 46 -3.459 -1.389 4.080 1.00 74.31 O ATOM 698 CB ILE A 46 -3.442 -0.457 1.185 1.00 54.32 C ATOM 699 CG1 ILE A 46 -2.663 0.088 -0.014 1.00 2.54 C ATOM 700 CG2 ILE A 46 -4.939 -0.404 0.918 1.00 13.11 C ATOM 701 CD1 ILE A 46 -2.807 -0.754 -1.262 1.00 4.32 C ATOM 0 H ILE A 46 -1.227 -0.501 2.896 1.00 43.14 H new ATOM 0 HA ILE A 46 -3.438 1.368 2.334 1.00 1.42 H new ATOM 0 HB ILE A 46 -3.156 -1.498 1.338 1.00 54.32 H new ATOM 0 HG12 ILE A 46 -3.003 1.101 -0.228 1.00 2.54 H new ATOM 0 HG13 ILE A 46 -1.607 0.155 0.249 1.00 2.54 H new ATOM 0 HG21 ILE A 46 -5.168 -0.972 0.016 1.00 13.11 H new ATOM 0 HG22 ILE A 46 -5.475 -0.834 1.764 1.00 13.11 H new ATOM 0 HG23 ILE A 46 -5.248 0.632 0.782 1.00 13.11 H new ATOM 0 HD11 ILE A 46 -2.228 -0.308 -2.071 1.00 4.32 H new ATOM 0 HD12 ILE A 46 -2.440 -1.761 -1.066 1.00 4.32 H new ATOM 0 HD13 ILE A 46 -3.857 -0.801 -1.550 1.00 4.32 H new ATOM 713 N GLU A 47 -4.806 0.411 4.174 1.00 55.02 N ATOM 714 CA GLU A 47 -5.568 -0.082 5.316 1.00 63.15 C ATOM 715 C GLU A 47 -6.914 -0.645 4.870 1.00 71.05 C ATOM 716 O GLU A 47 -7.735 0.066 4.291 1.00 40.21 O ATOM 717 CB GLU A 47 -5.783 1.038 6.335 1.00 15.12 C ATOM 718 CG GLU A 47 -4.496 1.712 6.781 1.00 75.13 C ATOM 719 CD GLU A 47 -4.733 3.086 7.376 1.00 13.04 C ATOM 720 OE1 GLU A 47 -5.807 3.295 7.979 1.00 41.23 O ATOM 721 OE2 GLU A 47 -3.844 3.952 7.240 1.00 0.32 O ATOM 0 H GLU A 47 -5.106 1.322 3.828 1.00 55.02 H new ATOM 0 HA GLU A 47 -4.996 -0.884 5.783 1.00 63.15 H new ATOM 0 HB2 GLU A 47 -6.445 1.788 5.903 1.00 15.12 H new ATOM 0 HB3 GLU A 47 -6.291 0.630 7.209 1.00 15.12 H new ATOM 0 HG2 GLU A 47 -3.997 1.082 7.518 1.00 75.13 H new ATOM 0 HG3 GLU A 47 -3.822 1.801 5.929 1.00 75.13 H new ATOM 728 N MET A 48 -7.133 -1.927 5.143 1.00 64.21 N ATOM 729 CA MET A 48 -8.379 -2.586 4.770 1.00 12.14 C ATOM 730 C MET A 48 -9.483 -2.267 5.774 1.00 73.24 C ATOM 731 O MET A 48 -9.270 -1.526 6.733 1.00 4.11 O ATOM 732 CB MET A 48 -8.175 -4.100 4.683 1.00 2.50 C ATOM 733 CG MET A 48 -7.337 -4.532 3.491 1.00 50.34 C ATOM 734 SD MET A 48 -8.310 -5.372 2.226 1.00 22.33 S ATOM 735 CE MET A 48 -8.904 -3.977 1.273 1.00 32.13 C ATOM 0 H MET A 48 -6.464 -2.530 5.621 1.00 64.21 H new ATOM 0 HA MET A 48 -8.681 -2.211 3.792 1.00 12.14 H new ATOM 0 HB2 MET A 48 -7.696 -4.447 5.599 1.00 2.50 H new ATOM 0 HB3 MET A 48 -9.149 -4.587 4.628 1.00 2.50 H new ATOM 0 HG2 MET A 48 -6.857 -3.657 3.053 1.00 50.34 H new ATOM 0 HG3 MET A 48 -6.542 -5.195 3.832 1.00 50.34 H new ATOM 0 HE1 MET A 48 -9.982 -3.881 1.402 1.00 32.13 H new ATOM 0 HE2 MET A 48 -8.415 -3.066 1.618 1.00 32.13 H new ATOM 0 HE3 MET A 48 -8.677 -4.134 0.218 1.00 32.13 H new ATOM 745 N LYS A 49 -10.664 -2.831 5.546 1.00 74.52 N ATOM 746 CA LYS A 49 -11.803 -2.609 6.430 1.00 45.24 C ATOM 747 C LYS A 49 -11.429 -2.895 7.881 1.00 42.15 C ATOM 748 O LYS A 49 -11.515 -2.017 8.740 1.00 61.15 O ATOM 749 CB LYS A 49 -12.980 -3.493 6.011 1.00 1.54 C ATOM 750 CG LYS A 49 -14.311 -2.761 5.986 1.00 3.12 C ATOM 751 CD LYS A 49 -15.276 -3.393 4.997 1.00 43.50 C ATOM 752 CE LYS A 49 -15.972 -2.340 4.148 1.00 10.10 C ATOM 753 NZ LYS A 49 -17.123 -1.723 4.864 1.00 50.24 N ATOM 0 H LYS A 49 -10.858 -3.446 4.756 1.00 74.52 H new ATOM 0 HA LYS A 49 -12.096 -1.562 6.348 1.00 45.24 H new ATOM 0 HB2 LYS A 49 -12.781 -3.903 5.021 1.00 1.54 H new ATOM 0 HB3 LYS A 49 -13.052 -4.337 6.697 1.00 1.54 H new ATOM 0 HG2 LYS A 49 -14.752 -2.771 6.983 1.00 3.12 H new ATOM 0 HG3 LYS A 49 -14.148 -1.717 5.720 1.00 3.12 H new ATOM 0 HD2 LYS A 49 -14.735 -4.084 4.350 1.00 43.50 H new ATOM 0 HD3 LYS A 49 -16.021 -3.978 5.537 1.00 43.50 H new ATOM 0 HE2 LYS A 49 -15.257 -1.564 3.873 1.00 10.10 H new ATOM 0 HE3 LYS A 49 -16.322 -2.794 3.221 1.00 10.10 H new ATOM 0 HZ1 LYS A 49 -17.571 -1.011 4.253 1.00 50.24 H new ATOM 0 HZ2 LYS A 49 -17.817 -2.459 5.104 1.00 50.24 H new ATOM 0 HZ3 LYS A 49 -16.786 -1.268 5.736 1.00 50.24 H new ATOM 767 N LYS A 50 -11.012 -4.128 8.147 1.00 20.02 N ATOM 768 CA LYS A 50 -10.622 -4.530 9.493 1.00 1.04 C ATOM 769 C LYS A 50 -10.184 -5.991 9.520 1.00 42.24 C ATOM 770 O LYS A 50 -8.994 -6.290 9.617 1.00 45.10 O ATOM 771 CB LYS A 50 -11.783 -4.317 10.468 1.00 65.11 C ATOM 772 CG LYS A 50 -11.523 -3.228 11.494 1.00 0.22 C ATOM 773 CD LYS A 50 -12.773 -2.910 12.298 1.00 44.20 C ATOM 774 CE LYS A 50 -12.927 -1.413 12.520 1.00 40.05 C ATOM 775 NZ LYS A 50 -13.548 -0.740 11.345 1.00 10.34 N ATOM 0 H LYS A 50 -10.935 -4.867 7.448 1.00 20.02 H new ATOM 0 HA LYS A 50 -9.779 -3.911 9.800 1.00 1.04 H new ATOM 0 HB2 LYS A 50 -12.680 -4.065 9.902 1.00 65.11 H new ATOM 0 HB3 LYS A 50 -11.986 -5.253 10.988 1.00 65.11 H new ATOM 0 HG2 LYS A 50 -10.727 -3.544 12.168 1.00 0.22 H new ATOM 0 HG3 LYS A 50 -11.175 -2.327 10.989 1.00 0.22 H new ATOM 0 HD2 LYS A 50 -13.650 -3.294 11.776 1.00 44.20 H new ATOM 0 HD3 LYS A 50 -12.727 -3.419 13.261 1.00 44.20 H new ATOM 0 HE2 LYS A 50 -13.539 -1.238 13.405 1.00 40.05 H new ATOM 0 HE3 LYS A 50 -11.950 -0.972 12.717 1.00 40.05 H new ATOM 0 HZ1 LYS A 50 -13.636 0.279 11.535 1.00 10.34 H new ATOM 0 HZ2 LYS A 50 -12.951 -0.886 10.506 1.00 10.34 H new ATOM 0 HZ3 LYS A 50 -14.491 -1.143 11.173 1.00 10.34 H new ATOM 789 N ARG A 51 -11.153 -6.896 9.431 1.00 64.13 N ATOM 790 CA ARG A 51 -10.866 -8.326 9.444 1.00 51.41 C ATOM 791 C ARG A 51 -10.641 -8.848 8.028 1.00 33.10 C ATOM 792 O ARG A 51 -11.189 -9.881 7.641 1.00 52.23 O ATOM 793 CB ARG A 51 -12.014 -9.091 10.105 1.00 25.23 C ATOM 794 CG ARG A 51 -11.587 -10.411 10.727 1.00 5.44 C ATOM 795 CD ARG A 51 -12.787 -11.229 11.176 1.00 61.40 C ATOM 796 NE ARG A 51 -12.430 -12.210 12.197 1.00 23.24 N ATOM 797 CZ ARG A 51 -11.878 -13.388 11.925 1.00 52.52 C ATOM 798 NH1 ARG A 51 -11.622 -13.728 10.669 1.00 22.44 N ATOM 799 NH2 ARG A 51 -11.582 -14.226 12.909 1.00 24.41 N ATOM 0 H ARG A 51 -12.143 -6.665 9.349 1.00 64.13 H new ATOM 0 HA ARG A 51 -9.954 -8.484 10.020 1.00 51.41 H new ATOM 0 HB2 ARG A 51 -12.461 -8.464 10.876 1.00 25.23 H new ATOM 0 HB3 ARG A 51 -12.788 -9.283 9.361 1.00 25.23 H new ATOM 0 HG2 ARG A 51 -11.005 -10.983 10.005 1.00 5.44 H new ATOM 0 HG3 ARG A 51 -10.936 -10.219 11.580 1.00 5.44 H new ATOM 0 HD2 ARG A 51 -13.555 -10.561 11.567 1.00 61.40 H new ATOM 0 HD3 ARG A 51 -13.219 -11.741 10.316 1.00 61.40 H new ATOM 0 HE ARG A 51 -12.614 -11.978 13.173 1.00 23.24 H new ATOM 0 HH11 ARG A 51 -11.849 -13.085 9.910 1.00 22.44 H new ATOM 0 HH12 ARG A 51 -11.198 -14.632 10.462 1.00 22.44 H new ATOM 0 HH21 ARG A 51 -11.778 -13.967 13.876 1.00 24.41 H new ATOM 0 HH22 ARG A 51 -11.158 -15.130 12.699 1.00 24.41 H new ATOM 813 N THR A 52 -9.832 -8.127 7.258 1.00 24.42 N ATOM 814 CA THR A 52 -9.535 -8.517 5.885 1.00 14.53 C ATOM 815 C THR A 52 -8.111 -9.044 5.758 1.00 2.14 C ATOM 816 O THR A 52 -7.146 -8.309 5.968 1.00 62.10 O ATOM 817 CB THR A 52 -9.722 -7.336 4.914 1.00 10.30 C ATOM 818 OG1 THR A 52 -10.629 -6.380 5.474 1.00 53.42 O ATOM 819 CG2 THR A 52 -10.250 -7.818 3.571 1.00 0.33 C ATOM 0 H THR A 52 -9.371 -7.270 7.562 1.00 24.42 H new ATOM 0 HA THR A 52 -10.236 -9.309 5.623 1.00 14.53 H new ATOM 0 HB THR A 52 -8.751 -6.866 4.757 1.00 10.30 H new ATOM 0 HG1 THR A 52 -10.989 -5.813 4.760 1.00 53.42 H new ATOM 0 HG21 THR A 52 -10.374 -6.966 2.902 1.00 0.33 H new ATOM 0 HG22 THR A 52 -9.543 -8.523 3.134 1.00 0.33 H new ATOM 0 HG23 THR A 52 -11.212 -8.310 3.714 1.00 0.33 H new ATOM 827 N SER A 53 -7.986 -10.322 5.413 1.00 12.55 N ATOM 828 CA SER A 53 -6.678 -10.948 5.262 1.00 73.24 C ATOM 829 C SER A 53 -6.020 -10.521 3.953 1.00 3.34 C ATOM 830 O SER A 53 -6.589 -9.748 3.181 1.00 32.04 O ATOM 831 CB SER A 53 -6.811 -12.472 5.305 1.00 52.33 C ATOM 832 OG SER A 53 -8.014 -12.896 4.687 1.00 64.52 O ATOM 0 H SER A 53 -8.774 -10.944 5.233 1.00 12.55 H new ATOM 0 HA SER A 53 -6.048 -10.621 6.089 1.00 73.24 H new ATOM 0 HB2 SER A 53 -5.959 -12.929 4.802 1.00 52.33 H new ATOM 0 HB3 SER A 53 -6.790 -12.813 6.340 1.00 52.33 H new ATOM 0 HG SER A 53 -8.075 -13.873 4.726 1.00 64.52 H new ATOM 838 N LEU A 54 -4.816 -11.028 3.711 1.00 74.41 N ATOM 839 CA LEU A 54 -4.078 -10.700 2.496 1.00 31.22 C ATOM 840 C LEU A 54 -4.933 -10.945 1.257 1.00 42.43 C ATOM 841 O LEU A 54 -4.774 -10.272 0.239 1.00 53.52 O ATOM 842 CB LEU A 54 -2.795 -11.529 2.416 1.00 3.23 C ATOM 843 CG LEU A 54 -1.874 -11.228 1.233 1.00 74.22 C ATOM 844 CD1 LEU A 54 -1.499 -9.755 1.209 1.00 1.34 C ATOM 845 CD2 LEU A 54 -0.627 -12.097 1.293 1.00 22.52 C ATOM 0 H LEU A 54 -4.330 -11.668 4.340 1.00 74.41 H new ATOM 0 HA LEU A 54 -3.818 -9.642 2.532 1.00 31.22 H new ATOM 0 HB2 LEU A 54 -2.231 -11.379 3.337 1.00 3.23 H new ATOM 0 HB3 LEU A 54 -3.069 -12.583 2.378 1.00 3.23 H new ATOM 0 HG LEU A 54 -2.410 -11.460 0.313 1.00 74.22 H new ATOM 0 HD11 LEU A 54 -0.843 -9.560 0.360 1.00 1.34 H new ATOM 0 HD12 LEU A 54 -2.402 -9.151 1.116 1.00 1.34 H new ATOM 0 HD13 LEU A 54 -0.983 -9.496 2.133 1.00 1.34 H new ATOM 0 HD21 LEU A 54 0.017 -11.869 0.443 1.00 22.52 H new ATOM 0 HD22 LEU A 54 -0.089 -11.898 2.220 1.00 22.52 H new ATOM 0 HD23 LEU A 54 -0.914 -13.148 1.259 1.00 22.52 H new ATOM 857 N ALA A 55 -5.840 -11.911 1.351 1.00 14.13 N ATOM 858 CA ALA A 55 -6.723 -12.241 0.239 1.00 31.24 C ATOM 859 C ALA A 55 -7.471 -11.007 -0.253 1.00 42.14 C ATOM 860 O ALA A 55 -7.767 -10.882 -1.441 1.00 13.53 O ATOM 861 CB ALA A 55 -7.706 -13.327 0.651 1.00 73.03 C ATOM 0 H ALA A 55 -5.983 -12.479 2.186 1.00 14.13 H new ATOM 0 HA ALA A 55 -6.110 -12.613 -0.582 1.00 31.24 H new ATOM 0 HB1 ALA A 55 -8.359 -13.564 -0.189 1.00 73.03 H new ATOM 0 HB2 ALA A 55 -7.157 -14.221 0.947 1.00 73.03 H new ATOM 0 HB3 ALA A 55 -8.306 -12.975 1.490 1.00 73.03 H new ATOM 867 N GLY A 56 -7.774 -10.097 0.668 1.00 42.02 N ATOM 868 CA GLY A 56 -8.485 -8.885 0.307 1.00 14.31 C ATOM 869 C GLY A 56 -7.636 -7.937 -0.516 1.00 50.02 C ATOM 870 O GLY A 56 -8.091 -7.405 -1.528 1.00 54.11 O ATOM 0 H GLY A 56 -7.540 -10.178 1.657 1.00 42.02 H new ATOM 0 HA2 GLY A 56 -9.381 -9.147 -0.256 1.00 14.31 H new ATOM 0 HA3 GLY A 56 -8.815 -8.378 1.213 1.00 14.31 H new ATOM 874 N MET A 57 -6.398 -7.724 -0.081 1.00 35.10 N ATOM 875 CA MET A 57 -5.484 -6.833 -0.785 1.00 63.13 C ATOM 876 C MET A 57 -5.010 -7.462 -2.092 1.00 22.45 C ATOM 877 O MET A 57 -5.035 -6.825 -3.145 1.00 24.13 O ATOM 878 CB MET A 57 -4.281 -6.499 0.099 1.00 30.03 C ATOM 879 CG MET A 57 -4.655 -5.790 1.391 1.00 41.23 C ATOM 880 SD MET A 57 -4.523 -3.996 1.261 1.00 35.23 S ATOM 881 CE MET A 57 -5.915 -3.631 0.195 1.00 51.15 C ATOM 0 H MET A 57 -6.005 -8.156 0.755 1.00 35.10 H new ATOM 0 HA MET A 57 -6.021 -5.913 -1.018 1.00 63.13 H new ATOM 0 HB2 MET A 57 -3.751 -7.420 0.340 1.00 30.03 H new ATOM 0 HB3 MET A 57 -3.590 -5.871 -0.464 1.00 30.03 H new ATOM 0 HG2 MET A 57 -5.676 -6.057 1.665 1.00 41.23 H new ATOM 0 HG3 MET A 57 -4.007 -6.141 2.194 1.00 41.23 H new ATOM 0 HE1 MET A 57 -5.552 -3.330 -0.788 1.00 51.15 H new ATOM 0 HE2 MET A 57 -6.539 -4.519 0.095 1.00 51.15 H new ATOM 0 HE3 MET A 57 -6.503 -2.822 0.628 1.00 51.15 H new ATOM 891 N LYS A 58 -4.578 -8.717 -2.016 1.00 50.32 N ATOM 892 CA LYS A 58 -4.099 -9.433 -3.192 1.00 61.42 C ATOM 893 C LYS A 58 -5.171 -9.479 -4.276 1.00 35.22 C ATOM 894 O LYS A 58 -4.864 -9.554 -5.466 1.00 30.03 O ATOM 895 CB LYS A 58 -3.681 -10.856 -2.813 1.00 10.21 C ATOM 896 CG LYS A 58 -2.433 -11.336 -3.533 1.00 41.43 C ATOM 897 CD LYS A 58 -2.059 -12.749 -3.119 1.00 44.13 C ATOM 898 CE LYS A 58 -1.490 -12.784 -1.709 1.00 31.41 C ATOM 899 NZ LYS A 58 -0.486 -13.871 -1.543 1.00 24.10 N ATOM 0 H LYS A 58 -4.550 -9.259 -1.152 1.00 50.32 H new ATOM 0 HA LYS A 58 -3.234 -8.898 -3.584 1.00 61.42 H new ATOM 0 HB2 LYS A 58 -3.510 -10.901 -1.737 1.00 10.21 H new ATOM 0 HB3 LYS A 58 -4.502 -11.538 -3.034 1.00 10.21 H new ATOM 0 HG2 LYS A 58 -2.598 -11.303 -4.610 1.00 41.43 H new ATOM 0 HG3 LYS A 58 -1.605 -10.661 -3.317 1.00 41.43 H new ATOM 0 HD2 LYS A 58 -2.939 -13.390 -3.174 1.00 44.13 H new ATOM 0 HD3 LYS A 58 -1.327 -13.152 -3.818 1.00 44.13 H new ATOM 0 HE2 LYS A 58 -1.027 -11.824 -1.480 1.00 31.41 H new ATOM 0 HE3 LYS A 58 -2.300 -12.926 -0.994 1.00 31.41 H new ATOM 0 HZ1 LYS A 58 -0.519 -14.228 -0.567 1.00 24.10 H new ATOM 0 HZ2 LYS A 58 -0.701 -14.646 -2.203 1.00 24.10 H new ATOM 0 HZ3 LYS A 58 0.464 -13.499 -1.743 1.00 24.10 H new ATOM 913 N LYS A 59 -6.432 -9.432 -3.857 1.00 24.50 N ATOM 914 CA LYS A 59 -7.551 -9.466 -4.791 1.00 44.21 C ATOM 915 C LYS A 59 -7.509 -8.267 -5.733 1.00 42.21 C ATOM 916 O LYS A 59 -7.921 -8.359 -6.890 1.00 52.32 O ATOM 917 CB LYS A 59 -8.878 -9.483 -4.029 1.00 4.10 C ATOM 918 CG LYS A 59 -10.097 -9.550 -4.932 1.00 41.41 C ATOM 919 CD LYS A 59 -11.332 -9.996 -4.169 1.00 35.42 C ATOM 920 CE LYS A 59 -12.070 -11.106 -4.902 1.00 63.33 C ATOM 921 NZ LYS A 59 -13.506 -11.169 -4.514 1.00 51.23 N ATOM 0 H LYS A 59 -6.704 -9.370 -2.876 1.00 24.50 H new ATOM 0 HA LYS A 59 -7.469 -10.376 -5.385 1.00 44.21 H new ATOM 0 HB2 LYS A 59 -8.889 -10.339 -3.354 1.00 4.10 H new ATOM 0 HB3 LYS A 59 -8.943 -8.588 -3.410 1.00 4.10 H new ATOM 0 HG2 LYS A 59 -10.276 -8.571 -5.376 1.00 41.41 H new ATOM 0 HG3 LYS A 59 -9.906 -10.242 -5.752 1.00 41.41 H new ATOM 0 HD2 LYS A 59 -11.042 -10.343 -3.177 1.00 35.42 H new ATOM 0 HD3 LYS A 59 -12.000 -9.146 -4.027 1.00 35.42 H new ATOM 0 HE2 LYS A 59 -11.991 -10.946 -5.977 1.00 63.33 H new ATOM 0 HE3 LYS A 59 -11.594 -12.062 -4.687 1.00 63.33 H new ATOM 0 HZ1 LYS A 59 -13.973 -11.938 -5.035 1.00 51.23 H new ATOM 0 HZ2 LYS A 59 -13.582 -11.347 -3.492 1.00 51.23 H new ATOM 0 HZ3 LYS A 59 -13.967 -10.265 -4.743 1.00 51.23 H new ATOM 935 N LEU A 60 -7.007 -7.144 -5.232 1.00 13.53 N ATOM 936 CA LEU A 60 -6.910 -5.926 -6.029 1.00 71.04 C ATOM 937 C LEU A 60 -5.683 -5.964 -6.934 1.00 64.41 C ATOM 938 O LEU A 60 -5.730 -5.516 -8.080 1.00 60.10 O ATOM 939 CB LEU A 60 -6.848 -4.699 -5.118 1.00 24.22 C ATOM 940 CG LEU A 60 -8.170 -4.266 -4.484 1.00 10.01 C ATOM 941 CD1 LEU A 60 -8.472 -5.106 -3.253 1.00 12.03 C ATOM 942 CD2 LEU A 60 -8.131 -2.787 -4.127 1.00 30.34 C ATOM 0 H LEU A 60 -6.661 -7.051 -4.277 1.00 13.53 H new ATOM 0 HA LEU A 60 -7.799 -5.860 -6.656 1.00 71.04 H new ATOM 0 HB2 LEU A 60 -6.134 -4.900 -4.319 1.00 24.22 H new ATOM 0 HB3 LEU A 60 -6.454 -3.863 -5.695 1.00 24.22 H new ATOM 0 HG LEU A 60 -8.968 -4.423 -5.210 1.00 10.01 H new ATOM 0 HD11 LEU A 60 -9.417 -4.783 -2.815 1.00 12.03 H new ATOM 0 HD12 LEU A 60 -8.544 -6.156 -3.537 1.00 12.03 H new ATOM 0 HD13 LEU A 60 -7.672 -4.982 -2.523 1.00 12.03 H new ATOM 0 HD21 LEU A 60 -9.080 -2.496 -3.677 1.00 30.34 H new ATOM 0 HD22 LEU A 60 -7.323 -2.605 -3.419 1.00 30.34 H new ATOM 0 HD23 LEU A 60 -7.962 -2.199 -5.029 1.00 30.34 H new ATOM 954 N ILE A 61 -4.586 -6.504 -6.413 1.00 33.34 N ATOM 955 CA ILE A 61 -3.348 -6.604 -7.175 1.00 22.14 C ATOM 956 C ILE A 61 -2.680 -7.959 -6.963 1.00 41.42 C ATOM 957 O ILE A 61 -1.687 -8.084 -6.246 1.00 41.22 O ATOM 958 CB ILE A 61 -2.357 -5.490 -6.788 1.00 13.04 C ATOM 959 CG1 ILE A 61 -3.007 -4.116 -6.963 1.00 34.01 C ATOM 960 CG2 ILE A 61 -1.091 -5.593 -7.624 1.00 23.30 C ATOM 961 CD1 ILE A 61 -3.606 -3.564 -5.688 1.00 55.14 C ATOM 0 H ILE A 61 -4.530 -6.879 -5.466 1.00 33.34 H new ATOM 0 HA ILE A 61 -3.615 -6.493 -8.226 1.00 22.14 H new ATOM 0 HB ILE A 61 -2.087 -5.613 -5.739 1.00 13.04 H new ATOM 0 HG12 ILE A 61 -2.261 -3.415 -7.337 1.00 34.01 H new ATOM 0 HG13 ILE A 61 -3.787 -4.186 -7.721 1.00 34.01 H new ATOM 0 HG21 ILE A 61 -0.401 -4.799 -7.339 1.00 23.30 H new ATOM 0 HG22 ILE A 61 -0.620 -6.561 -7.454 1.00 23.30 H new ATOM 0 HG23 ILE A 61 -1.343 -5.493 -8.680 1.00 23.30 H new ATOM 0 HD11 ILE A 61 -4.049 -2.588 -5.887 1.00 55.14 H new ATOM 0 HD12 ILE A 61 -4.376 -4.244 -5.323 1.00 55.14 H new ATOM 0 HD13 ILE A 61 -2.826 -3.461 -4.934 1.00 55.14 H new ATOM 973 N PRO A 62 -3.235 -8.998 -7.603 1.00 72.32 N ATOM 974 CA PRO A 62 -2.708 -10.363 -7.503 1.00 14.41 C ATOM 975 C PRO A 62 -1.366 -10.519 -8.209 1.00 70.01 C ATOM 976 O PRO A 62 -1.303 -10.586 -9.436 1.00 11.11 O ATOM 977 CB PRO A 62 -3.779 -11.208 -8.197 1.00 33.35 C ATOM 978 CG PRO A 62 -4.451 -10.270 -9.139 1.00 64.45 C ATOM 979 CD PRO A 62 -4.420 -8.922 -8.474 1.00 61.14 C ATOM 0 HA PRO A 62 -2.520 -10.653 -6.469 1.00 14.41 H new ATOM 0 HB2 PRO A 62 -3.336 -12.051 -8.727 1.00 33.35 H new ATOM 0 HB3 PRO A 62 -4.486 -11.620 -7.477 1.00 33.35 H new ATOM 0 HG2 PRO A 62 -3.934 -10.244 -10.098 1.00 64.45 H new ATOM 0 HG3 PRO A 62 -5.476 -10.584 -9.337 1.00 64.45 H new ATOM 0 HD2 PRO A 62 -4.332 -8.116 -9.203 1.00 61.14 H new ATOM 0 HD3 PRO A 62 -5.328 -8.736 -7.901 1.00 61.14 H new ATOM 987 N GLY A 63 -0.293 -10.577 -7.426 1.00 33.25 N ATOM 988 CA GLY A 63 1.034 -10.726 -7.994 1.00 54.42 C ATOM 989 C GLY A 63 2.003 -9.676 -7.487 1.00 33.44 C ATOM 990 O GLY A 63 2.833 -9.172 -8.242 1.00 10.43 O ATOM 0 H GLY A 63 -0.319 -10.523 -6.408 1.00 33.25 H new ATOM 0 HA2 GLY A 63 1.419 -11.717 -7.755 1.00 54.42 H new ATOM 0 HA3 GLY A 63 0.970 -10.663 -9.080 1.00 54.42 H new ATOM 994 N ALA A 64 1.896 -9.346 -6.204 1.00 21.13 N ATOM 995 CA ALA A 64 2.770 -8.351 -5.596 1.00 43.40 C ATOM 996 C ALA A 64 3.273 -8.819 -4.235 1.00 24.31 C ATOM 997 O ALA A 64 2.794 -9.816 -3.694 1.00 72.53 O ATOM 998 CB ALA A 64 2.043 -7.021 -5.463 1.00 3.32 C ATOM 0 H ALA A 64 1.213 -9.753 -5.566 1.00 21.13 H new ATOM 0 HA ALA A 64 3.634 -8.217 -6.247 1.00 43.40 H new ATOM 0 HB1 ALA A 64 2.708 -6.287 -5.007 1.00 3.32 H new ATOM 0 HB2 ALA A 64 1.739 -6.672 -6.450 1.00 3.32 H new ATOM 0 HB3 ALA A 64 1.161 -7.150 -4.836 1.00 3.32 H new ATOM 1004 N HIS A 65 4.243 -8.095 -3.686 1.00 10.53 N ATOM 1005 CA HIS A 65 4.811 -8.437 -2.387 1.00 2.23 C ATOM 1006 C HIS A 65 4.123 -7.657 -1.270 1.00 61.13 C ATOM 1007 O HIS A 65 4.273 -6.440 -1.166 1.00 40.50 O ATOM 1008 CB HIS A 65 6.313 -8.152 -2.373 1.00 23.25 C ATOM 1009 CG HIS A 65 7.055 -8.900 -1.307 1.00 54.13 C ATOM 1010 ND1 HIS A 65 7.791 -8.275 -0.323 1.00 32.11 N ATOM 1011 CD2 HIS A 65 7.169 -10.228 -1.075 1.00 30.44 C ATOM 1012 CE1 HIS A 65 8.327 -9.187 0.468 1.00 24.02 C ATOM 1013 NE2 HIS A 65 7.965 -10.381 0.034 1.00 40.41 N ATOM 0 H HIS A 65 4.652 -7.268 -4.120 1.00 10.53 H new ATOM 0 HA HIS A 65 4.649 -9.501 -2.216 1.00 2.23 H new ATOM 0 HB2 HIS A 65 6.733 -8.410 -3.345 1.00 23.25 H new ATOM 0 HB3 HIS A 65 6.470 -7.083 -2.232 1.00 23.25 H new ATOM 0 HD2 HIS A 65 6.718 -11.020 -1.654 1.00 30.44 H new ATOM 0 HE1 HIS A 65 8.955 -8.990 1.324 1.00 24.02 H new ATOM 0 HE2 HIS A 65 8.233 -11.271 0.454 1.00 40.41 H new ATOM 1021 N PHE A 66 3.368 -8.367 -0.438 1.00 51.52 N ATOM 1022 CA PHE A 66 2.655 -7.741 0.669 1.00 2.34 C ATOM 1023 C PHE A 66 3.240 -8.178 2.009 1.00 23.11 C ATOM 1024 O PHE A 66 3.894 -9.216 2.103 1.00 62.24 O ATOM 1025 CB PHE A 66 1.167 -8.093 0.610 1.00 24.25 C ATOM 1026 CG PHE A 66 0.335 -7.063 -0.099 1.00 20.54 C ATOM 1027 CD1 PHE A 66 0.302 -7.014 -1.483 1.00 11.32 C ATOM 1028 CD2 PHE A 66 -0.414 -6.145 0.619 1.00 1.12 C ATOM 1029 CE1 PHE A 66 -0.463 -6.068 -2.139 1.00 13.45 C ATOM 1030 CE2 PHE A 66 -1.181 -5.197 -0.031 1.00 12.01 C ATOM 1031 CZ PHE A 66 -1.205 -5.157 -1.411 1.00 70.44 C ATOM 0 H PHE A 66 3.234 -9.376 -0.509 1.00 51.52 H new ATOM 0 HA PHE A 66 2.769 -6.661 0.577 1.00 2.34 H new ATOM 0 HB2 PHE A 66 1.049 -9.053 0.107 1.00 24.25 H new ATOM 0 HB3 PHE A 66 0.790 -8.216 1.625 1.00 24.25 H new ATOM 0 HD1 PHE A 66 0.881 -7.723 -2.056 1.00 11.32 H new ATOM 0 HD2 PHE A 66 -0.398 -6.171 1.699 1.00 1.12 H new ATOM 0 HE1 PHE A 66 -0.481 -6.041 -3.219 1.00 13.45 H new ATOM 0 HE2 PHE A 66 -1.761 -4.488 0.540 1.00 12.01 H new ATOM 0 HZ PHE A 66 -1.802 -4.415 -1.921 1.00 70.44 H new ATOM 1041 N GLU A 67 3.000 -7.377 3.043 1.00 70.52 N ATOM 1042 CA GLU A 67 3.504 -7.681 4.377 1.00 64.22 C ATOM 1043 C GLU A 67 2.574 -7.124 5.450 1.00 35.52 C ATOM 1044 O GLU A 67 2.455 -5.910 5.617 1.00 24.44 O ATOM 1045 CB GLU A 67 4.911 -7.106 4.558 1.00 72.14 C ATOM 1046 CG GLU A 67 6.006 -8.159 4.537 1.00 1.00 C ATOM 1047 CD GLU A 67 7.327 -7.637 5.069 1.00 33.44 C ATOM 1048 OE1 GLU A 67 7.387 -6.447 5.441 1.00 40.51 O ATOM 1049 OE2 GLU A 67 8.299 -8.419 5.114 1.00 23.24 O ATOM 0 H GLU A 67 2.460 -6.514 2.982 1.00 70.52 H new ATOM 0 HA GLU A 67 3.545 -8.765 4.483 1.00 64.22 H new ATOM 0 HB2 GLU A 67 5.102 -6.380 3.768 1.00 72.14 H new ATOM 0 HB3 GLU A 67 4.955 -6.567 5.504 1.00 72.14 H new ATOM 0 HG2 GLU A 67 5.692 -9.016 5.132 1.00 1.00 H new ATOM 0 HG3 GLU A 67 6.144 -8.514 3.516 1.00 1.00 H new ATOM 1056 N LYS A 68 1.913 -8.021 6.175 1.00 25.14 N ATOM 1057 CA LYS A 68 0.993 -7.622 7.234 1.00 61.24 C ATOM 1058 C LYS A 68 1.634 -7.798 8.607 1.00 75.43 C ATOM 1059 O LYS A 68 0.943 -7.821 9.626 1.00 70.43 O ATOM 1060 CB LYS A 68 -0.297 -8.442 7.152 1.00 43.33 C ATOM 1061 CG LYS A 68 -1.447 -7.846 7.945 1.00 71.22 C ATOM 1062 CD LYS A 68 -2.367 -8.926 8.489 1.00 75.15 C ATOM 1063 CE LYS A 68 -3.004 -8.505 9.804 1.00 30.43 C ATOM 1064 NZ LYS A 68 -2.086 -8.717 10.957 1.00 21.54 N ATOM 0 H LYS A 68 1.998 -9.030 6.048 1.00 25.14 H new ATOM 0 HA LYS A 68 0.755 -6.567 7.097 1.00 61.24 H new ATOM 0 HB2 LYS A 68 -0.595 -8.532 6.107 1.00 43.33 H new ATOM 0 HB3 LYS A 68 -0.100 -9.451 7.515 1.00 43.33 H new ATOM 0 HG2 LYS A 68 -1.053 -7.253 8.770 1.00 71.22 H new ATOM 0 HG3 LYS A 68 -2.016 -7.168 7.309 1.00 71.22 H new ATOM 0 HD2 LYS A 68 -3.147 -9.143 7.759 1.00 75.15 H new ATOM 0 HD3 LYS A 68 -1.802 -9.847 8.635 1.00 75.15 H new ATOM 0 HE2 LYS A 68 -3.284 -7.453 9.751 1.00 30.43 H new ATOM 0 HE3 LYS A 68 -3.922 -9.072 9.961 1.00 30.43 H new ATOM 0 HZ1 LYS A 68 -2.557 -8.418 11.835 1.00 21.54 H new ATOM 0 HZ2 LYS A 68 -1.838 -9.725 11.023 1.00 21.54 H new ATOM 0 HZ3 LYS A 68 -1.221 -8.156 10.820 1.00 21.54 H new ATOM 1078 N ARG A 69 2.957 -7.921 8.626 1.00 33.12 N ATOM 1079 CA ARG A 69 3.690 -8.095 9.874 1.00 14.35 C ATOM 1080 C ARG A 69 3.667 -6.812 10.701 1.00 33.43 C ATOM 1081 O ARG A 69 4.120 -6.792 11.846 1.00 51.13 O ATOM 1082 CB ARG A 69 5.136 -8.504 9.589 1.00 73.21 C ATOM 1083 CG ARG A 69 5.450 -9.940 9.976 1.00 72.12 C ATOM 1084 CD ARG A 69 6.848 -10.343 9.533 1.00 34.32 C ATOM 1085 NE ARG A 69 6.908 -11.743 9.120 1.00 45.45 N ATOM 1086 CZ ARG A 69 8.018 -12.335 8.693 1.00 61.21 C ATOM 1087 NH1 ARG A 69 9.153 -11.654 8.625 1.00 44.23 N ATOM 1088 NH2 ARG A 69 7.994 -13.612 8.334 1.00 73.40 N ATOM 0 H ARG A 69 3.543 -7.903 7.791 1.00 33.12 H new ATOM 0 HA ARG A 69 3.202 -8.885 10.445 1.00 14.35 H new ATOM 0 HB2 ARG A 69 5.340 -8.370 8.527 1.00 73.21 H new ATOM 0 HB3 ARG A 69 5.807 -7.836 10.129 1.00 73.21 H new ATOM 0 HG2 ARG A 69 5.362 -10.054 11.056 1.00 72.12 H new ATOM 0 HG3 ARG A 69 4.717 -10.608 9.524 1.00 72.12 H new ATOM 0 HD2 ARG A 69 7.164 -9.707 8.706 1.00 34.32 H new ATOM 0 HD3 ARG A 69 7.550 -10.175 10.350 1.00 34.32 H new ATOM 0 HE ARG A 69 6.052 -12.296 9.162 1.00 45.45 H new ATOM 0 HH11 ARG A 69 9.176 -10.672 8.901 1.00 44.23 H new ATOM 0 HH12 ARG A 69 10.003 -12.112 8.297 1.00 44.23 H new ATOM 0 HH21 ARG A 69 7.123 -14.140 8.386 1.00 73.40 H new ATOM 0 HH22 ARG A 69 8.847 -14.066 8.006 1.00 73.40 H new ATOM 1102 N ARG A 70 3.136 -5.745 10.113 1.00 4.15 N ATOM 1103 CA ARG A 70 3.056 -4.458 10.795 1.00 62.52 C ATOM 1104 C ARG A 70 4.449 -3.881 11.032 1.00 34.34 C ATOM 1105 O ARG A 70 4.684 -3.189 12.022 1.00 42.25 O ATOM 1106 CB ARG A 70 2.320 -4.608 12.128 1.00 63.24 C ATOM 1107 CG ARG A 70 1.057 -5.448 12.035 1.00 53.24 C ATOM 1108 CD ARG A 70 1.174 -6.723 12.855 1.00 55.10 C ATOM 1109 NE ARG A 70 0.394 -6.654 14.088 1.00 75.02 N ATOM 1110 CZ ARG A 70 0.201 -7.692 14.895 1.00 42.53 C ATOM 1111 NH1 ARG A 70 0.730 -8.871 14.601 1.00 71.34 N ATOM 1112 NH2 ARG A 70 -0.521 -7.550 15.999 1.00 42.11 N ATOM 0 H ARG A 70 2.755 -5.746 9.167 1.00 4.15 H new ATOM 0 HA ARG A 70 2.501 -3.771 10.157 1.00 62.52 H new ATOM 0 HB2 ARG A 70 2.994 -5.059 12.856 1.00 63.24 H new ATOM 0 HB3 ARG A 70 2.061 -3.618 12.504 1.00 63.24 H new ATOM 0 HG2 ARG A 70 0.205 -4.866 12.386 1.00 53.24 H new ATOM 0 HG3 ARG A 70 0.863 -5.701 10.993 1.00 53.24 H new ATOM 0 HD2 ARG A 70 0.835 -7.570 12.259 1.00 55.10 H new ATOM 0 HD3 ARG A 70 2.221 -6.903 13.098 1.00 55.10 H new ATOM 0 HE ARG A 70 -0.026 -5.760 14.344 1.00 75.02 H new ATOM 0 HH11 ARG A 70 1.287 -8.983 13.754 1.00 71.34 H new ATOM 0 HH12 ARG A 70 0.580 -9.666 15.222 1.00 71.34 H new ATOM 0 HH21 ARG A 70 -0.928 -6.644 16.229 1.00 42.11 H new ATOM 0 HH22 ARG A 70 -0.669 -8.347 16.618 1.00 42.11 H new ATOM 1126 N GLY A 71 5.369 -4.172 10.118 1.00 74.55 N ATOM 1127 CA GLY A 71 6.726 -3.675 10.246 1.00 31.51 C ATOM 1128 C GLY A 71 6.844 -2.210 9.879 1.00 51.45 C ATOM 1129 O GLY A 71 7.922 -1.623 9.972 1.00 45.44 O ATOM 0 H GLY A 71 5.199 -4.744 9.291 1.00 74.55 H new ATOM 0 HA2 GLY A 71 7.067 -3.818 11.271 1.00 31.51 H new ATOM 0 HA3 GLY A 71 7.386 -4.261 9.606 1.00 31.51 H new ATOM 1133 N THR A 72 5.732 -1.615 9.457 1.00 33.24 N ATOM 1134 CA THR A 72 5.715 -0.210 9.072 1.00 42.14 C ATOM 1135 C THR A 72 4.537 0.520 9.705 1.00 54.40 C ATOM 1136 O THR A 72 4.115 1.571 9.223 1.00 40.22 O ATOM 1137 CB THR A 72 5.642 -0.048 7.541 1.00 24.34 C ATOM 1138 OG1 THR A 72 4.797 -1.060 6.982 1.00 44.23 O ATOM 1139 CG2 THR A 72 7.029 -0.138 6.921 1.00 35.02 C ATOM 0 H THR A 72 4.831 -2.086 9.373 1.00 33.24 H new ATOM 0 HA THR A 72 6.646 0.227 9.433 1.00 42.14 H new ATOM 0 HB THR A 72 5.226 0.935 7.320 1.00 24.34 H new ATOM 0 HG1 THR A 72 5.344 -1.710 6.494 1.00 44.23 H new ATOM 0 HG21 THR A 72 6.953 -0.021 5.840 1.00 35.02 H new ATOM 0 HG22 THR A 72 7.661 0.651 7.328 1.00 35.02 H new ATOM 0 HG23 THR A 72 7.468 -1.109 7.151 1.00 35.02 H new ATOM 1147 N GLN A 73 4.010 -0.043 10.788 1.00 50.15 N ATOM 1148 CA GLN A 73 2.879 0.556 11.486 1.00 2.34 C ATOM 1149 C GLN A 73 3.348 1.637 12.455 1.00 44.13 C ATOM 1150 O GLN A 73 3.610 1.365 13.625 1.00 24.44 O ATOM 1151 CB GLN A 73 2.094 -0.516 12.243 1.00 75.43 C ATOM 1152 CG GLN A 73 0.728 -0.048 12.719 1.00 1.13 C ATOM 1153 CD GLN A 73 0.798 0.722 14.023 1.00 33.03 C ATOM 1154 OE1 GLN A 73 1.445 0.291 14.978 1.00 13.03 O ATOM 1155 NE2 GLN A 73 0.130 1.869 14.070 1.00 30.24 N ATOM 0 H GLN A 73 4.348 -0.912 11.201 1.00 50.15 H new ATOM 0 HA GLN A 73 2.228 1.016 10.742 1.00 2.34 H new ATOM 0 HB2 GLN A 73 1.966 -1.385 11.597 1.00 75.43 H new ATOM 0 HB3 GLN A 73 2.678 -0.842 13.104 1.00 75.43 H new ATOM 0 HG2 GLN A 73 0.277 0.582 11.953 1.00 1.13 H new ATOM 0 HG3 GLN A 73 0.076 -0.912 12.846 1.00 1.13 H new ATOM 0 HE21 GLN A 73 -0.393 2.188 13.255 1.00 30.24 H new ATOM 0 HE22 GLN A 73 0.140 2.431 14.921 1.00 30.24 H new ATOM 1164 N GLY A 74 3.453 2.866 11.957 1.00 32.13 N ATOM 1165 CA GLY A 74 3.891 3.969 12.792 1.00 40.21 C ATOM 1166 C GLY A 74 4.645 5.025 12.008 1.00 1.11 C ATOM 1167 O GLY A 74 4.126 5.574 11.037 1.00 63.24 O ATOM 0 H GLY A 74 3.243 3.117 10.991 1.00 32.13 H new ATOM 0 HA2 GLY A 74 3.024 4.425 13.270 1.00 40.21 H new ATOM 0 HA3 GLY A 74 4.530 3.587 13.588 1.00 40.21 H new ATOM 1171 N GLU A 75 5.872 5.311 12.432 1.00 1.23 N ATOM 1172 CA GLU A 75 6.697 6.311 11.764 1.00 60.42 C ATOM 1173 C GLU A 75 6.887 5.962 10.290 1.00 1.14 C ATOM 1174 O GLU A 75 7.108 6.840 9.457 1.00 1.54 O ATOM 1175 CB GLU A 75 8.059 6.423 12.452 1.00 12.43 C ATOM 1176 CG GLU A 75 8.735 7.769 12.247 1.00 20.51 C ATOM 1177 CD GLU A 75 10.221 7.639 11.972 1.00 75.22 C ATOM 1178 OE1 GLU A 75 10.884 6.841 12.666 1.00 24.51 O ATOM 1179 OE2 GLU A 75 10.719 8.335 11.063 1.00 22.11 O ATOM 0 H GLU A 75 6.316 4.865 13.234 1.00 1.23 H new ATOM 0 HA GLU A 75 6.185 7.271 11.830 1.00 60.42 H new ATOM 0 HB2 GLU A 75 7.933 6.248 13.520 1.00 12.43 H new ATOM 0 HB3 GLU A 75 8.713 5.636 12.076 1.00 12.43 H new ATOM 0 HG2 GLU A 75 8.259 8.287 11.415 1.00 20.51 H new ATOM 0 HG3 GLU A 75 8.586 8.385 13.134 1.00 20.51 H new ATOM 1186 N ALA A 76 6.800 4.673 9.977 1.00 12.43 N ATOM 1187 CA ALA A 76 6.961 4.208 8.605 1.00 14.13 C ATOM 1188 C ALA A 76 5.875 4.781 7.701 1.00 73.43 C ATOM 1189 O ALA A 76 5.997 4.756 6.476 1.00 60.41 O ATOM 1190 CB ALA A 76 6.942 2.687 8.558 1.00 11.42 C ATOM 0 H ALA A 76 6.619 3.933 10.655 1.00 12.43 H new ATOM 0 HA ALA A 76 7.925 4.560 8.238 1.00 14.13 H new ATOM 0 HB1 ALA A 76 7.063 2.353 7.527 1.00 11.42 H new ATOM 0 HB2 ALA A 76 7.758 2.294 9.165 1.00 11.42 H new ATOM 0 HB3 ALA A 76 5.992 2.323 8.948 1.00 11.42 H new ATOM 1196 N ARG A 77 4.813 5.295 8.312 1.00 55.24 N ATOM 1197 CA ARG A 77 3.704 5.872 7.561 1.00 41.14 C ATOM 1198 C ARG A 77 4.142 7.139 6.832 1.00 42.20 C ATOM 1199 O ARG A 77 3.478 7.592 5.900 1.00 3.32 O ATOM 1200 CB ARG A 77 2.535 6.187 8.496 1.00 5.22 C ATOM 1201 CG ARG A 77 1.238 6.497 7.767 1.00 22.13 C ATOM 1202 CD ARG A 77 0.327 7.382 8.603 1.00 1.13 C ATOM 1203 NE ARG A 77 -0.170 6.690 9.789 1.00 11.35 N ATOM 1204 CZ ARG A 77 -1.183 5.831 9.769 1.00 62.14 C ATOM 1205 NH1 ARG A 77 -1.802 5.559 8.628 1.00 33.24 N ATOM 1206 NH2 ARG A 77 -1.577 5.241 10.890 1.00 53.21 N ATOM 0 H ARG A 77 4.697 5.324 9.325 1.00 55.24 H new ATOM 0 HA ARG A 77 3.381 5.141 6.820 1.00 41.14 H new ATOM 0 HB2 ARG A 77 2.374 5.339 9.161 1.00 5.22 H new ATOM 0 HB3 ARG A 77 2.802 7.038 9.123 1.00 5.22 H new ATOM 0 HG2 ARG A 77 1.460 6.992 6.821 1.00 22.13 H new ATOM 0 HG3 ARG A 77 0.723 5.567 7.527 1.00 22.13 H new ATOM 0 HD2 ARG A 77 0.870 8.277 8.906 1.00 1.13 H new ATOM 0 HD3 ARG A 77 -0.516 7.711 7.995 1.00 1.13 H new ATOM 0 HE ARG A 77 0.286 6.877 10.682 1.00 11.35 H new ATOM 0 HH11 ARG A 77 -1.500 6.010 7.764 1.00 33.24 H new ATOM 0 HH12 ARG A 77 -2.580 4.899 8.614 1.00 33.24 H new ATOM 0 HH21 ARG A 77 -1.102 5.447 11.769 1.00 53.21 H new ATOM 0 HH22 ARG A 77 -2.355 4.582 10.873 1.00 53.21 H new ATOM 1220 N ALA A 78 5.264 7.706 7.264 1.00 12.20 N ATOM 1221 CA ALA A 78 5.791 8.920 6.652 1.00 23.43 C ATOM 1222 C ALA A 78 7.203 8.697 6.121 1.00 3.52 C ATOM 1223 O ALA A 78 7.607 9.306 5.130 1.00 71.23 O ATOM 1224 CB ALA A 78 5.776 10.065 7.654 1.00 50.14 C ATOM 0 H ALA A 78 5.825 7.344 8.035 1.00 12.20 H new ATOM 0 HA ALA A 78 5.151 9.181 5.809 1.00 23.43 H new ATOM 0 HB1 ALA A 78 6.172 10.965 7.184 1.00 50.14 H new ATOM 0 HB2 ALA A 78 4.753 10.247 7.983 1.00 50.14 H new ATOM 0 HB3 ALA A 78 6.392 9.804 8.514 1.00 50.14 H new ATOM 1230 N TYR A 79 7.950 7.824 6.787 1.00 60.40 N ATOM 1231 CA TYR A 79 9.319 7.524 6.384 1.00 73.05 C ATOM 1232 C TYR A 79 9.341 6.508 5.246 1.00 62.04 C ATOM 1233 O TYR A 79 10.375 6.290 4.613 1.00 14.22 O ATOM 1234 CB TYR A 79 10.118 6.991 7.574 1.00 45.34 C ATOM 1235 CG TYR A 79 11.479 6.450 7.196 1.00 52.34 C ATOM 1236 CD1 TYR A 79 12.377 7.222 6.469 1.00 63.24 C ATOM 1237 CD2 TYR A 79 11.865 5.168 7.564 1.00 24.23 C ATOM 1238 CE1 TYR A 79 13.621 6.732 6.120 1.00 20.43 C ATOM 1239 CE2 TYR A 79 13.108 4.670 7.222 1.00 74.03 C ATOM 1240 CZ TYR A 79 13.982 5.455 6.500 1.00 53.45 C ATOM 1241 OH TYR A 79 15.219 4.963 6.155 1.00 25.40 O ATOM 0 H TYR A 79 7.631 7.311 7.609 1.00 60.40 H new ATOM 0 HA TYR A 79 9.778 8.448 6.032 1.00 73.05 H new ATOM 0 HB2 TYR A 79 10.244 7.791 8.304 1.00 45.34 H new ATOM 0 HB3 TYR A 79 9.545 6.202 8.061 1.00 45.34 H new ATOM 0 HD1 TYR A 79 12.098 8.222 6.172 1.00 63.24 H new ATOM 0 HD2 TYR A 79 11.182 4.549 8.127 1.00 24.23 H new ATOM 0 HE1 TYR A 79 14.307 7.344 5.553 1.00 20.43 H new ATOM 0 HE2 TYR A 79 13.393 3.671 7.519 1.00 74.03 H new ATOM 0 HH TYR A 79 15.316 4.051 6.500 1.00 25.40 H new ATOM 1251 N SER A 80 8.193 5.889 4.991 1.00 52.12 N ATOM 1252 CA SER A 80 8.080 4.893 3.932 1.00 54.45 C ATOM 1253 C SER A 80 8.753 5.382 2.653 1.00 71.04 C ATOM 1254 O SER A 80 8.870 6.585 2.421 1.00 62.24 O ATOM 1255 CB SER A 80 6.609 4.575 3.657 1.00 33.33 C ATOM 1256 OG SER A 80 5.772 5.649 4.051 1.00 21.51 O ATOM 0 H SER A 80 7.328 6.060 5.503 1.00 52.12 H new ATOM 0 HA SER A 80 8.585 3.986 4.265 1.00 54.45 H new ATOM 0 HB2 SER A 80 6.470 4.372 2.595 1.00 33.33 H new ATOM 0 HB3 SER A 80 6.323 3.671 4.194 1.00 33.33 H new ATOM 0 HG SER A 80 5.526 5.543 4.994 1.00 21.51 H new ATOM 1262 N MET A 81 9.194 4.439 1.826 1.00 14.11 N ATOM 1263 CA MET A 81 9.854 4.773 0.570 1.00 63.34 C ATOM 1264 C MET A 81 11.172 5.498 0.824 1.00 20.21 C ATOM 1265 O MET A 81 11.455 5.917 1.946 1.00 1.55 O ATOM 1266 CB MET A 81 8.940 5.641 -0.297 1.00 63.22 C ATOM 1267 CG MET A 81 7.487 5.197 -0.282 1.00 34.25 C ATOM 1268 SD MET A 81 6.411 6.369 0.567 1.00 42.43 S ATOM 1269 CE MET A 81 4.846 5.502 0.502 1.00 72.44 C ATOM 0 H MET A 81 9.106 3.438 2.003 1.00 14.11 H new ATOM 0 HA MET A 81 10.067 3.843 0.043 1.00 63.34 H new ATOM 0 HB2 MET A 81 8.999 6.673 0.047 1.00 63.22 H new ATOM 0 HB3 MET A 81 9.305 5.626 -1.324 1.00 63.22 H new ATOM 0 HG2 MET A 81 7.140 5.068 -1.307 1.00 34.25 H new ATOM 0 HG3 MET A 81 7.413 4.224 0.204 1.00 34.25 H new ATOM 0 HE1 MET A 81 4.225 5.931 -0.285 1.00 72.44 H new ATOM 0 HE2 MET A 81 5.023 4.447 0.291 1.00 72.44 H new ATOM 0 HE3 MET A 81 4.336 5.599 1.460 1.00 72.44 H new ATOM 1279 N LYS A 82 11.975 5.642 -0.225 1.00 21.34 N ATOM 1280 CA LYS A 82 13.263 6.317 -0.116 1.00 31.22 C ATOM 1281 C LYS A 82 13.264 7.619 -0.911 1.00 34.34 C ATOM 1282 O LYS A 82 12.728 7.681 -2.017 1.00 22.23 O ATOM 1283 CB LYS A 82 14.385 5.403 -0.613 1.00 72.42 C ATOM 1284 CG LYS A 82 15.424 5.082 0.447 1.00 13.25 C ATOM 1285 CD LYS A 82 16.499 6.153 0.516 1.00 2.52 C ATOM 1286 CE LYS A 82 17.890 5.557 0.367 1.00 44.02 C ATOM 1287 NZ LYS A 82 18.477 5.180 1.683 1.00 55.02 N ATOM 0 H LYS A 82 11.756 5.300 -1.161 1.00 21.34 H new ATOM 0 HA LYS A 82 13.433 6.553 0.934 1.00 31.22 H new ATOM 0 HB2 LYS A 82 13.950 4.472 -0.976 1.00 72.42 H new ATOM 0 HB3 LYS A 82 14.879 5.877 -1.462 1.00 72.42 H new ATOM 0 HG2 LYS A 82 14.938 4.990 1.418 1.00 13.25 H new ATOM 0 HG3 LYS A 82 15.883 4.118 0.228 1.00 13.25 H new ATOM 0 HD2 LYS A 82 16.331 6.889 -0.270 1.00 2.52 H new ATOM 0 HD3 LYS A 82 16.428 6.680 1.467 1.00 2.52 H new ATOM 0 HE2 LYS A 82 17.841 4.677 -0.274 1.00 44.02 H new ATOM 0 HE3 LYS A 82 18.542 6.276 -0.129 1.00 44.02 H new ATOM 0 HZ1 LYS A 82 19.425 4.778 1.538 1.00 55.02 H new ATOM 0 HZ2 LYS A 82 18.548 6.024 2.286 1.00 55.02 H new ATOM 0 HZ3 LYS A 82 17.869 4.474 2.145 1.00 55.02 H new ATOM 1301 N GLU A 83 13.869 8.655 -0.339 1.00 43.25 N ATOM 1302 CA GLU A 83 13.940 9.955 -0.997 1.00 15.14 C ATOM 1303 C GLU A 83 14.755 9.871 -2.284 1.00 31.33 C ATOM 1304 O GLU A 83 14.459 10.554 -3.264 1.00 62.23 O ATOM 1305 CB GLU A 83 14.555 10.994 -0.057 1.00 25.21 C ATOM 1306 CG GLU A 83 13.532 11.728 0.794 1.00 64.53 C ATOM 1307 CD GLU A 83 14.174 12.633 1.827 1.00 24.53 C ATOM 1308 OE1 GLU A 83 14.940 13.536 1.432 1.00 62.11 O ATOM 1309 OE2 GLU A 83 13.910 12.437 3.032 1.00 20.22 O ATOM 0 H GLU A 83 14.316 8.620 0.577 1.00 43.25 H new ATOM 0 HA GLU A 83 12.925 10.261 -1.251 1.00 15.14 H new ATOM 0 HB2 GLU A 83 15.272 10.499 0.598 1.00 25.21 H new ATOM 0 HB3 GLU A 83 15.112 11.721 -0.648 1.00 25.21 H new ATOM 0 HG2 GLU A 83 12.886 12.322 0.147 1.00 64.53 H new ATOM 0 HG3 GLU A 83 12.896 11.001 1.299 1.00 64.53 H new ATOM 1316 N ASP A 84 15.782 9.029 -2.272 1.00 24.21 N ATOM 1317 CA ASP A 84 16.641 8.854 -3.438 1.00 20.15 C ATOM 1318 C ASP A 84 15.891 8.152 -4.565 1.00 35.32 C ATOM 1319 O ASP A 84 16.089 8.456 -5.742 1.00 34.13 O ATOM 1320 CB ASP A 84 17.889 8.053 -3.063 1.00 0.13 C ATOM 1321 CG ASP A 84 18.843 7.887 -4.230 1.00 13.35 C ATOM 1322 OD1 ASP A 84 19.276 8.915 -4.792 1.00 30.44 O ATOM 1323 OD2 ASP A 84 19.155 6.730 -4.581 1.00 40.23 O ATOM 0 H ASP A 84 16.040 8.457 -1.468 1.00 24.21 H new ATOM 0 HA ASP A 84 16.944 9.841 -3.787 1.00 20.15 H new ATOM 0 HB2 ASP A 84 18.405 8.553 -2.244 1.00 0.13 H new ATOM 0 HB3 ASP A 84 17.590 7.070 -2.699 1.00 0.13 H new ATOM 1328 N THR A 85 15.028 7.209 -4.198 1.00 11.04 N ATOM 1329 CA THR A 85 14.249 6.462 -5.177 1.00 64.11 C ATOM 1330 C THR A 85 12.845 7.037 -5.318 1.00 11.51 C ATOM 1331 O THR A 85 11.991 6.458 -5.989 1.00 33.34 O ATOM 1332 CB THR A 85 14.146 4.973 -4.795 1.00 51.22 C ATOM 1333 OG1 THR A 85 13.771 4.845 -3.419 1.00 51.42 O ATOM 1334 CG2 THR A 85 15.468 4.260 -5.034 1.00 42.11 C ATOM 0 H THR A 85 14.851 6.945 -3.229 1.00 11.04 H new ATOM 0 HA THR A 85 14.771 6.550 -6.130 1.00 64.11 H new ATOM 0 HB THR A 85 13.384 4.512 -5.423 1.00 51.22 H new ATOM 0 HG1 THR A 85 13.068 4.168 -3.333 1.00 51.42 H new ATOM 0 HG21 THR A 85 15.371 3.210 -4.757 1.00 42.11 H new ATOM 0 HG22 THR A 85 15.736 4.334 -6.088 1.00 42.11 H new ATOM 0 HG23 THR A 85 16.246 4.724 -4.428 1.00 42.11 H new ATOM 1342 N ARG A 86 12.613 8.181 -4.682 1.00 53.22 N ATOM 1343 CA ARG A 86 11.311 8.835 -4.737 1.00 33.13 C ATOM 1344 C ARG A 86 11.106 9.528 -6.081 1.00 1.04 C ATOM 1345 O ARG A 86 11.878 10.410 -6.460 1.00 73.14 O ATOM 1346 CB ARG A 86 11.179 9.852 -3.601 1.00 73.52 C ATOM 1347 CG ARG A 86 9.897 9.704 -2.797 1.00 64.51 C ATOM 1348 CD ARG A 86 10.188 9.372 -1.342 1.00 3.44 C ATOM 1349 NE ARG A 86 9.009 9.539 -0.496 1.00 42.32 N ATOM 1350 CZ ARG A 86 8.482 10.721 -0.195 1.00 60.20 C ATOM 1351 NH1 ARG A 86 9.026 11.833 -0.668 1.00 42.34 N ATOM 1352 NH2 ARG A 86 7.408 10.791 0.581 1.00 52.02 N ATOM 0 H ARG A 86 13.309 8.674 -4.123 1.00 53.22 H new ATOM 0 HA ARG A 86 10.543 8.070 -4.622 1.00 33.13 H new ATOM 0 HB2 ARG A 86 12.032 9.748 -2.931 1.00 73.52 H new ATOM 0 HB3 ARG A 86 11.222 10.858 -4.018 1.00 73.52 H new ATOM 0 HG2 ARG A 86 9.322 10.629 -2.853 1.00 64.51 H new ATOM 0 HG3 ARG A 86 9.280 8.919 -3.234 1.00 64.51 H new ATOM 0 HD2 ARG A 86 10.544 8.344 -1.269 1.00 3.44 H new ATOM 0 HD3 ARG A 86 10.990 10.014 -0.977 1.00 3.44 H new ATOM 0 HE ARG A 86 8.566 8.703 -0.116 1.00 42.32 H new ATOM 0 HH11 ARG A 86 9.852 11.783 -1.265 1.00 42.34 H new ATOM 0 HH12 ARG A 86 8.619 12.739 -0.435 1.00 42.34 H new ATOM 0 HH21 ARG A 86 6.987 9.937 0.947 1.00 52.02 H new ATOM 0 HH22 ARG A 86 7.004 11.699 0.812 1.00 52.02 H new ATOM 1366 N LEU A 87 10.063 9.123 -6.796 1.00 54.32 N ATOM 1367 CA LEU A 87 9.756 9.705 -8.099 1.00 23.43 C ATOM 1368 C LEU A 87 8.548 10.632 -8.011 1.00 22.33 C ATOM 1369 O LEU A 87 8.647 11.824 -8.299 1.00 70.33 O ATOM 1370 CB LEU A 87 9.492 8.600 -9.123 1.00 21.31 C ATOM 1371 CG LEU A 87 10.425 8.570 -10.334 1.00 23.32 C ATOM 1372 CD1 LEU A 87 10.084 7.399 -11.242 1.00 73.13 C ATOM 1373 CD2 LEU A 87 10.347 9.882 -11.100 1.00 2.20 C ATOM 0 H LEU A 87 9.415 8.394 -6.496 1.00 54.32 H new ATOM 0 HA LEU A 87 10.617 10.291 -8.420 1.00 23.43 H new ATOM 0 HB2 LEU A 87 9.558 7.638 -8.615 1.00 21.31 H new ATOM 0 HB3 LEU A 87 8.468 8.702 -9.481 1.00 21.31 H new ATOM 0 HG LEU A 87 11.447 8.441 -9.978 1.00 23.32 H new ATOM 0 HD11 LEU A 87 10.758 7.394 -12.098 1.00 73.13 H new ATOM 0 HD12 LEU A 87 10.193 6.466 -10.689 1.00 73.13 H new ATOM 0 HD13 LEU A 87 9.056 7.496 -11.591 1.00 73.13 H new ATOM 0 HD21 LEU A 87 11.018 9.843 -11.958 1.00 2.20 H new ATOM 0 HD22 LEU A 87 9.325 10.042 -11.445 1.00 2.20 H new ATOM 0 HD23 LEU A 87 10.642 10.703 -10.447 1.00 2.20 H new ATOM 1385 N GLU A 88 7.410 10.075 -7.608 1.00 51.42 N ATOM 1386 CA GLU A 88 6.183 10.854 -7.481 1.00 24.33 C ATOM 1387 C GLU A 88 5.538 10.633 -6.116 1.00 23.15 C ATOM 1388 O GLU A 88 5.994 9.805 -5.328 1.00 61.10 O ATOM 1389 CB GLU A 88 5.198 10.479 -8.589 1.00 74.24 C ATOM 1390 CG GLU A 88 4.580 11.679 -9.287 1.00 3.55 C ATOM 1391 CD GLU A 88 5.576 12.428 -10.151 1.00 3.13 C ATOM 1392 OE1 GLU A 88 6.093 11.829 -11.117 1.00 34.11 O ATOM 1393 OE2 GLU A 88 5.839 13.614 -9.860 1.00 41.12 O ATOM 0 H GLU A 88 7.312 9.089 -7.364 1.00 51.42 H new ATOM 0 HA GLU A 88 6.441 11.909 -7.576 1.00 24.33 H new ATOM 0 HB2 GLU A 88 5.712 9.865 -9.328 1.00 74.24 H new ATOM 0 HB3 GLU A 88 4.402 9.867 -8.164 1.00 74.24 H new ATOM 0 HG2 GLU A 88 3.747 11.345 -9.906 1.00 3.55 H new ATOM 0 HG3 GLU A 88 4.170 12.358 -8.539 1.00 3.55 H new ATOM 1400 N GLY A 89 4.474 11.381 -5.842 1.00 53.34 N ATOM 1401 CA GLY A 89 3.783 11.254 -4.572 1.00 63.43 C ATOM 1402 C GLY A 89 4.330 12.196 -3.518 1.00 74.21 C ATOM 1403 O GLY A 89 5.127 13.089 -3.806 1.00 71.30 O ATOM 0 H GLY A 89 4.078 12.073 -6.477 1.00 53.34 H new ATOM 0 HA2 GLY A 89 2.721 11.454 -4.718 1.00 63.43 H new ATOM 0 HA3 GLY A 89 3.868 10.227 -4.217 1.00 63.43 H new ATOM 1407 N PRO A 90 3.896 12.002 -2.264 1.00 14.22 N ATOM 1408 CA PRO A 90 2.946 10.943 -1.909 1.00 51.33 C ATOM 1409 C PRO A 90 1.548 11.211 -2.456 1.00 10.50 C ATOM 1410 O PRO A 90 1.271 12.294 -2.972 1.00 75.03 O ATOM 1411 CB PRO A 90 2.936 10.973 -0.379 1.00 4.11 C ATOM 1412 CG PRO A 90 3.338 12.363 -0.025 1.00 12.34 C ATOM 1413 CD PRO A 90 4.298 12.803 -1.095 1.00 61.41 C ATOM 0 HA PRO A 90 3.235 9.979 -2.328 1.00 51.33 H new ATOM 0 HB2 PRO A 90 1.948 10.734 0.015 1.00 4.11 H new ATOM 0 HB3 PRO A 90 3.630 10.242 0.036 1.00 4.11 H new ATOM 0 HG2 PRO A 90 2.470 13.022 0.015 1.00 12.34 H new ATOM 0 HG3 PRO A 90 3.808 12.395 0.958 1.00 12.34 H new ATOM 0 HD2 PRO A 90 4.217 13.872 -1.293 1.00 61.41 H new ATOM 0 HD3 PRO A 90 5.332 12.609 -0.811 1.00 61.41 H new ATOM 1421 N TRP A 91 0.672 10.220 -2.339 1.00 0.23 N ATOM 1422 CA TRP A 91 -0.698 10.350 -2.821 1.00 52.35 C ATOM 1423 C TRP A 91 -1.680 9.701 -1.853 1.00 75.31 C ATOM 1424 O TRP A 91 -1.446 8.595 -1.367 1.00 1.14 O ATOM 1425 CB TRP A 91 -0.835 9.717 -4.207 1.00 42.11 C ATOM 1426 CG TRP A 91 -0.227 10.543 -5.300 1.00 63.11 C ATOM 1427 CD1 TRP A 91 -0.239 11.905 -5.402 1.00 32.21 C ATOM 1428 CD2 TRP A 91 0.481 10.059 -6.447 1.00 4.34 C ATOM 1429 NE1 TRP A 91 0.419 12.297 -6.543 1.00 34.12 N ATOM 1430 CE2 TRP A 91 0.871 11.184 -7.201 1.00 33.34 C ATOM 1431 CE3 TRP A 91 0.826 8.786 -6.909 1.00 2.43 C ATOM 1432 CZ2 TRP A 91 1.586 11.071 -8.390 1.00 74.30 C ATOM 1433 CZ3 TRP A 91 1.535 8.676 -8.090 1.00 25.05 C ATOM 1434 CH2 TRP A 91 1.910 9.812 -8.819 1.00 13.30 C ATOM 0 H TRP A 91 0.886 9.318 -1.915 1.00 0.23 H new ATOM 0 HA TRP A 91 -0.933 11.412 -2.889 1.00 52.35 H new ATOM 0 HB2 TRP A 91 -0.363 8.735 -4.198 1.00 42.11 H new ATOM 0 HB3 TRP A 91 -1.892 9.561 -4.424 1.00 42.11 H new ATOM 0 HD1 TRP A 91 -0.698 12.575 -4.691 1.00 32.21 H new ATOM 0 HE1 TRP A 91 0.550 13.261 -6.850 1.00 34.12 H new ATOM 0 HE3 TRP A 91 0.544 7.904 -6.353 1.00 2.43 H new ATOM 0 HZ2 TRP A 91 1.875 11.946 -8.954 1.00 74.30 H new ATOM 0 HZ3 TRP A 91 1.805 7.697 -8.458 1.00 25.05 H new ATOM 0 HH2 TRP A 91 2.466 9.692 -9.737 1.00 13.30 H new ATOM 1445 N GLU A 92 -2.780 10.395 -1.578 1.00 75.30 N ATOM 1446 CA GLU A 92 -3.797 9.884 -0.667 1.00 35.44 C ATOM 1447 C GLU A 92 -5.132 9.705 -1.385 1.00 62.01 C ATOM 1448 O GLU A 92 -5.546 10.559 -2.170 1.00 63.51 O ATOM 1449 CB GLU A 92 -3.969 10.830 0.524 1.00 73.34 C ATOM 1450 CG GLU A 92 -2.785 10.832 1.475 1.00 4.31 C ATOM 1451 CD GLU A 92 -1.577 11.548 0.901 1.00 12.04 C ATOM 1452 OE1 GLU A 92 -1.587 12.796 0.868 1.00 51.20 O ATOM 1453 OE2 GLU A 92 -0.622 10.859 0.486 1.00 22.01 O ATOM 0 H GLU A 92 -2.989 11.312 -1.973 1.00 75.30 H new ATOM 0 HA GLU A 92 -3.466 8.911 -0.304 1.00 35.44 H new ATOM 0 HB2 GLU A 92 -4.128 11.843 0.153 1.00 73.34 H new ATOM 0 HB3 GLU A 92 -4.866 10.548 1.075 1.00 73.34 H new ATOM 0 HG2 GLU A 92 -3.076 11.310 2.410 1.00 4.31 H new ATOM 0 HG3 GLU A 92 -2.514 9.804 1.714 1.00 4.31 H new ATOM 1460 N TYR A 93 -5.800 8.590 -1.111 1.00 64.12 N ATOM 1461 CA TYR A 93 -7.085 8.297 -1.733 1.00 74.21 C ATOM 1462 C TYR A 93 -8.034 7.635 -0.738 1.00 2.32 C ATOM 1463 O TYR A 93 -7.607 7.118 0.294 1.00 54.12 O ATOM 1464 CB TYR A 93 -6.892 7.391 -2.950 1.00 73.51 C ATOM 1465 CG TYR A 93 -6.169 8.062 -4.096 1.00 75.51 C ATOM 1466 CD1 TYR A 93 -6.853 8.871 -4.995 1.00 42.31 C ATOM 1467 CD2 TYR A 93 -4.804 7.885 -4.281 1.00 2.12 C ATOM 1468 CE1 TYR A 93 -6.197 9.486 -6.044 1.00 62.01 C ATOM 1469 CE2 TYR A 93 -4.139 8.497 -5.326 1.00 34.00 C ATOM 1470 CZ TYR A 93 -4.840 9.296 -6.205 1.00 52.10 C ATOM 1471 OH TYR A 93 -4.182 9.906 -7.248 1.00 52.24 O ATOM 0 H TYR A 93 -5.473 7.874 -0.462 1.00 64.12 H new ATOM 0 HA TYR A 93 -7.526 9.240 -2.056 1.00 74.21 H new ATOM 0 HB2 TYR A 93 -6.333 6.505 -2.648 1.00 73.51 H new ATOM 0 HB3 TYR A 93 -7.867 7.050 -3.297 1.00 73.51 H new ATOM 0 HD1 TYR A 93 -7.915 9.022 -4.872 1.00 42.31 H new ATOM 0 HD2 TYR A 93 -4.253 7.258 -3.596 1.00 2.12 H new ATOM 0 HE1 TYR A 93 -6.743 10.112 -6.734 1.00 62.01 H new ATOM 0 HE2 TYR A 93 -3.077 8.351 -5.454 1.00 34.00 H new ATOM 0 HH TYR A 93 -3.231 9.670 -7.218 1.00 52.24 H new ATOM 1481 N GLY A 94 -9.325 7.656 -1.057 1.00 25.04 N ATOM 1482 CA GLY A 94 -10.314 7.055 -0.182 1.00 14.12 C ATOM 1483 C GLY A 94 -10.751 7.991 0.928 1.00 34.40 C ATOM 1484 O GLY A 94 -10.775 9.208 0.748 1.00 34.44 O ATOM 0 H GLY A 94 -9.703 8.078 -1.905 1.00 25.04 H new ATOM 0 HA2 GLY A 94 -11.184 6.762 -0.769 1.00 14.12 H new ATOM 0 HA3 GLY A 94 -9.903 6.145 0.255 1.00 14.12 H new ATOM 1488 N GLU A 95 -11.099 7.421 2.078 1.00 73.24 N ATOM 1489 CA GLU A 95 -11.540 8.213 3.220 1.00 51.24 C ATOM 1490 C GLU A 95 -10.361 8.927 3.875 1.00 62.45 C ATOM 1491 O GLU A 95 -10.474 10.079 4.292 1.00 60.51 O ATOM 1492 CB GLU A 95 -12.245 7.323 4.245 1.00 60.31 C ATOM 1493 CG GLU A 95 -12.520 8.018 5.568 1.00 72.23 C ATOM 1494 CD GLU A 95 -13.187 7.105 6.579 1.00 40.24 C ATOM 1495 OE1 GLU A 95 -14.427 6.968 6.526 1.00 53.14 O ATOM 1496 OE2 GLU A 95 -12.469 6.529 7.422 1.00 34.24 O ATOM 0 H GLU A 95 -11.084 6.415 2.243 1.00 73.24 H new ATOM 0 HA GLU A 95 -12.242 8.964 2.859 1.00 51.24 H new ATOM 0 HB2 GLU A 95 -13.188 6.975 3.824 1.00 60.31 H new ATOM 0 HB3 GLU A 95 -11.633 6.440 4.429 1.00 60.31 H new ATOM 0 HG2 GLU A 95 -11.582 8.388 5.982 1.00 72.23 H new ATOM 0 HG3 GLU A 95 -13.156 8.886 5.393 1.00 72.23 H new TER 1503 GLU A 95