USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=24 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 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 22 HIS : no HD1:sc= -6.82! C(o=-19!,f=-22!) USER MOD Set 2.2: A 24 SER OG : rot -170:sc= -0.47 USER MOD Set 2.3: A 25 MET CE :methyl -156:sc= -4.99! (180deg=-6.43!) USER MOD Set 2.4: A 48 MET CE :methyl 137:sc= -3.42 (180deg=-1.48) USER MOD Set 2.5: A 57 MET CE :methyl 143:sc= -2.98 (180deg=-4.21!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 7 CYS SG : rot -140:sc= -0.398 USER MOD Single : A 9 CYS SG : rot -9:sc= 0.467 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0861 X(o=-0.086,f=-0.21) USER MOD Single : A 14 ASN : amide:sc= -0.571 K(o=-0.57,f=-7.9!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.118 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= -0.24 USER MOD Single : A 31 GLN : amide:sc= -1.93 K(o=-1.9,f=-2.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -2 USER MOD Single : A 34 GLN : amide:sc= -3.4! C(o=-3.4!,f=-3.5!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS :FLIP no HE2:sc= -4.52! F(o=-5.5,f=-4.5!) USER MOD Single : A 43 GLN :FLIP amide:sc= -3.84! C(o=-4.7!,f=-3.8!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.209 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= -0.0967 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0706 USER MOD Single : A 58 LYS NZ :NH3+ -145:sc= -1.29 (180deg=-4.44!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 170:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.691 K(o=-0.69,f=-1.7!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0.171 USER MOD Single : A 80 SER OG : rot -158:sc= 0.652 USER MOD Single : A 81 MET CE :methyl -129:sc= -4.55! (180deg=-12.8!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -9.363 1.306 22.107 1.00 31.11 N ATOM 2 CA ALA A 2 -8.304 0.917 21.185 1.00 63.43 C ATOM 3 C ALA A 2 -8.786 -0.160 20.218 1.00 4.20 C ATOM 4 O ALA A 2 -9.122 -1.271 20.629 1.00 42.34 O ATOM 5 CB ALA A 2 -7.086 0.430 21.955 1.00 25.44 C ATOM 0 HA ALA A 2 -8.024 1.794 20.601 1.00 63.43 H new ATOM 0 HB1 ALA A 2 -6.303 0.143 21.253 1.00 25.44 H new ATOM 0 HB2 ALA A 2 -6.720 1.229 22.600 1.00 25.44 H new ATOM 0 HB3 ALA A 2 -7.361 -0.431 22.564 1.00 25.44 H new ATOM 11 N ARG A 3 -8.817 0.177 18.933 1.00 72.22 N ATOM 12 CA ARG A 3 -9.260 -0.761 17.908 1.00 11.10 C ATOM 13 C ARG A 3 -8.821 -0.299 16.522 1.00 42.22 C ATOM 14 O ARG A 3 -9.650 0.053 15.683 1.00 30.13 O ATOM 15 CB ARG A 3 -10.782 -0.912 17.948 1.00 21.14 C ATOM 16 CG ARG A 3 -11.527 0.412 17.911 1.00 43.34 C ATOM 17 CD ARG A 3 -12.109 0.763 19.271 1.00 71.02 C ATOM 18 NE ARG A 3 -12.192 2.207 19.475 1.00 20.30 N ATOM 19 CZ ARG A 3 -12.689 2.766 20.572 1.00 12.43 C ATOM 20 NH1 ARG A 3 -13.145 2.007 21.559 1.00 0.54 N ATOM 21 NH2 ARG A 3 -12.731 4.088 20.684 1.00 23.11 N ATOM 0 H ARG A 3 -8.541 1.092 18.577 1.00 72.22 H new ATOM 0 HA ARG A 3 -8.800 -1.728 18.113 1.00 11.10 H new ATOM 0 HB2 ARG A 3 -11.100 -1.522 17.103 1.00 21.14 H new ATOM 0 HB3 ARG A 3 -11.061 -1.451 18.853 1.00 21.14 H new ATOM 0 HG2 ARG A 3 -10.849 1.203 17.589 1.00 43.34 H new ATOM 0 HG3 ARG A 3 -12.328 0.359 17.174 1.00 43.34 H new ATOM 0 HD2 ARG A 3 -13.103 0.326 19.363 1.00 71.02 H new ATOM 0 HD3 ARG A 3 -11.493 0.321 20.054 1.00 71.02 H new ATOM 0 HE ARG A 3 -11.850 2.819 18.734 1.00 20.30 H new ATOM 0 HH11 ARG A 3 -13.115 0.991 21.477 1.00 0.54 H new ATOM 0 HH12 ARG A 3 -13.526 2.439 22.401 1.00 0.54 H new ATOM 0 HH21 ARG A 3 -12.381 4.675 19.927 1.00 23.11 H new ATOM 0 HH22 ARG A 3 -13.113 4.517 21.527 1.00 23.11 H new ATOM 35 N GLN A 4 -7.512 -0.302 16.290 1.00 71.23 N ATOM 36 CA GLN A 4 -6.963 0.118 15.006 1.00 74.13 C ATOM 37 C GLN A 4 -6.269 -1.045 14.304 1.00 2.51 C ATOM 38 O GLN A 4 -5.767 -1.964 14.952 1.00 54.25 O ATOM 39 CB GLN A 4 -5.979 1.273 15.201 1.00 74.31 C ATOM 40 CG GLN A 4 -6.495 2.606 14.683 1.00 71.52 C ATOM 41 CD GLN A 4 -5.936 3.786 15.452 1.00 52.31 C ATOM 42 OE1 GLN A 4 -6.087 3.876 16.671 1.00 73.23 O ATOM 43 NE2 GLN A 4 -5.286 4.701 14.742 1.00 24.04 N ATOM 0 H GLN A 4 -6.812 -0.590 16.974 1.00 71.23 H new ATOM 0 HA GLN A 4 -7.788 0.456 14.379 1.00 74.13 H new ATOM 0 HB2 GLN A 4 -5.750 1.369 16.262 1.00 74.31 H new ATOM 0 HB3 GLN A 4 -5.045 1.033 14.694 1.00 74.31 H new ATOM 0 HG2 GLN A 4 -6.235 2.707 13.629 1.00 71.52 H new ATOM 0 HG3 GLN A 4 -7.583 2.619 14.745 1.00 71.52 H new ATOM 0 HE21 GLN A 4 -5.184 4.586 13.734 1.00 24.04 H new ATOM 0 HE22 GLN A 4 -4.888 5.518 15.205 1.00 24.04 H new ATOM 52 N VAL A 5 -6.243 -0.998 12.976 1.00 51.41 N ATOM 53 CA VAL A 5 -5.609 -2.046 12.186 1.00 74.41 C ATOM 54 C VAL A 5 -4.273 -1.578 11.621 1.00 53.52 C ATOM 55 O VAL A 5 -4.025 -0.377 11.502 1.00 31.34 O ATOM 56 CB VAL A 5 -6.515 -2.499 11.025 1.00 23.30 C ATOM 57 CG1 VAL A 5 -7.840 -3.025 11.555 1.00 61.30 C ATOM 58 CG2 VAL A 5 -6.738 -1.356 10.047 1.00 14.20 C ATOM 0 H VAL A 5 -6.654 -0.245 12.425 1.00 51.41 H new ATOM 0 HA VAL A 5 -5.440 -2.889 12.856 1.00 74.41 H new ATOM 0 HB VAL A 5 -6.017 -3.310 10.493 1.00 23.30 H new ATOM 0 HG11 VAL A 5 -8.466 -3.340 10.720 1.00 61.30 H new ATOM 0 HG12 VAL A 5 -7.657 -3.875 12.213 1.00 61.30 H new ATOM 0 HG13 VAL A 5 -8.347 -2.238 12.112 1.00 61.30 H new ATOM 0 HG21 VAL A 5 -7.380 -1.693 9.233 1.00 14.20 H new ATOM 0 HG22 VAL A 5 -7.215 -0.523 10.564 1.00 14.20 H new ATOM 0 HG23 VAL A 5 -5.779 -1.031 9.642 1.00 14.20 H new ATOM 68 N ILE A 6 -3.417 -2.532 11.273 1.00 3.22 N ATOM 69 CA ILE A 6 -2.106 -2.216 10.719 1.00 71.33 C ATOM 70 C ILE A 6 -2.178 -2.036 9.206 1.00 11.12 C ATOM 71 O ILE A 6 -3.011 -2.648 8.537 1.00 60.33 O ATOM 72 CB ILE A 6 -1.077 -3.315 11.045 1.00 54.01 C ATOM 73 CG1 ILE A 6 -1.041 -3.578 12.552 1.00 64.53 C ATOM 74 CG2 ILE A 6 0.301 -2.918 10.537 1.00 13.34 C ATOM 75 CD1 ILE A 6 -2.036 -4.622 13.007 1.00 71.40 C ATOM 0 H ILE A 6 -3.607 -3.530 11.365 1.00 3.22 H new ATOM 0 HA ILE A 6 -1.786 -1.281 11.180 1.00 71.33 H new ATOM 0 HB ILE A 6 -1.376 -4.234 10.542 1.00 54.01 H new ATOM 0 HG12 ILE A 6 -0.037 -3.897 12.833 1.00 64.53 H new ATOM 0 HG13 ILE A 6 -1.238 -2.645 13.080 1.00 64.53 H new ATOM 0 HG21 ILE A 6 1.017 -3.705 10.775 1.00 13.34 H new ATOM 0 HG22 ILE A 6 0.264 -2.776 9.457 1.00 13.34 H new ATOM 0 HG23 ILE A 6 0.611 -1.989 11.015 1.00 13.34 H new ATOM 0 HD11 ILE A 6 -1.954 -4.757 14.086 1.00 71.40 H new ATOM 0 HD12 ILE A 6 -3.046 -4.296 12.757 1.00 71.40 H new ATOM 0 HD13 ILE A 6 -1.826 -5.567 12.506 1.00 71.40 H new ATOM 87 N CYS A 7 -1.300 -1.193 8.674 1.00 23.51 N ATOM 88 CA CYS A 7 -1.262 -0.933 7.239 1.00 15.14 C ATOM 89 C CYS A 7 -0.562 -2.067 6.499 1.00 71.43 C ATOM 90 O CYS A 7 0.219 -2.816 7.086 1.00 34.30 O ATOM 91 CB CYS A 7 -0.551 0.391 6.959 1.00 42.41 C ATOM 92 SG CYS A 7 -0.938 1.702 8.142 1.00 4.45 S ATOM 0 H CYS A 7 -0.605 -0.678 9.214 1.00 23.51 H new ATOM 0 HA CYS A 7 -2.289 -0.869 6.879 1.00 15.14 H new ATOM 0 HB2 CYS A 7 0.526 0.220 6.962 1.00 42.41 H new ATOM 0 HB3 CYS A 7 -0.818 0.730 5.958 1.00 42.41 H new ATOM 0 HG CYS A 7 -1.064 2.832 7.512 1.00 4.45 H new ATOM 98 N TRP A 8 -0.848 -2.189 5.208 1.00 41.25 N ATOM 99 CA TRP A 8 -0.246 -3.234 4.387 1.00 55.23 C ATOM 100 C TRP A 8 0.793 -2.649 3.437 1.00 60.12 C ATOM 101 O TRP A 8 0.462 -1.865 2.547 1.00 42.23 O ATOM 102 CB TRP A 8 -1.325 -3.970 3.591 1.00 34.31 C ATOM 103 CG TRP A 8 -2.254 -4.773 4.451 1.00 1.14 C ATOM 104 CD1 TRP A 8 -3.126 -4.293 5.387 1.00 44.45 C ATOM 105 CD2 TRP A 8 -2.401 -6.197 4.457 1.00 71.03 C ATOM 106 NE1 TRP A 8 -3.806 -5.333 5.973 1.00 40.51 N ATOM 107 CE2 TRP A 8 -3.380 -6.511 5.419 1.00 14.04 C ATOM 108 CE3 TRP A 8 -1.803 -7.237 3.741 1.00 62.33 C ATOM 109 CZ2 TRP A 8 -3.772 -7.821 5.683 1.00 44.00 C ATOM 110 CZ3 TRP A 8 -2.192 -8.537 4.004 1.00 40.13 C ATOM 111 CH2 TRP A 8 -3.169 -8.820 4.967 1.00 12.33 C ATOM 0 H TRP A 8 -1.493 -1.578 4.707 1.00 41.25 H new ATOM 0 HA TRP A 8 0.253 -3.941 5.050 1.00 55.23 H new ATOM 0 HB2 TRP A 8 -1.905 -3.244 3.022 1.00 34.31 H new ATOM 0 HB3 TRP A 8 -0.846 -4.632 2.869 1.00 34.31 H new ATOM 0 HD1 TRP A 8 -3.261 -3.249 5.630 1.00 44.45 H new ATOM 0 HE1 TRP A 8 -4.513 -5.243 6.702 1.00 40.51 H new ATOM 0 HE3 TRP A 8 -1.050 -7.029 2.995 1.00 62.33 H new ATOM 0 HZ2 TRP A 8 -4.525 -8.041 6.426 1.00 44.00 H new ATOM 0 HZ3 TRP A 8 -1.735 -9.349 3.458 1.00 40.13 H new ATOM 0 HH2 TRP A 8 -3.452 -9.846 5.148 1.00 12.33 H new ATOM 122 N CYS A 9 2.049 -3.035 3.631 1.00 20.22 N ATOM 123 CA CYS A 9 3.137 -2.548 2.791 1.00 24.01 C ATOM 124 C CYS A 9 3.448 -3.539 1.674 1.00 34.21 C ATOM 125 O CYS A 9 3.842 -4.677 1.931 1.00 2.21 O ATOM 126 CB CYS A 9 4.390 -2.303 3.634 1.00 14.21 C ATOM 127 SG CYS A 9 4.912 -3.731 4.613 1.00 14.51 S ATOM 0 H CYS A 9 2.339 -3.684 4.363 1.00 20.22 H new ATOM 0 HA CYS A 9 2.821 -1.607 2.340 1.00 24.01 H new ATOM 0 HB2 CYS A 9 5.207 -2.010 2.975 1.00 14.21 H new ATOM 0 HB3 CYS A 9 4.205 -1.464 4.305 1.00 14.21 H new ATOM 0 HG CYS A 9 3.998 -4.654 4.556 1.00 14.51 H new ATOM 133 N PHE A 10 3.265 -3.100 0.433 1.00 32.41 N ATOM 134 CA PHE A 10 3.522 -3.950 -0.724 1.00 4.21 C ATOM 135 C PHE A 10 4.363 -3.213 -1.763 1.00 20.41 C ATOM 136 O PHE A 10 4.492 -1.989 -1.721 1.00 20.44 O ATOM 137 CB PHE A 10 2.204 -4.408 -1.350 1.00 71.42 C ATOM 138 CG PHE A 10 1.638 -3.431 -2.340 1.00 44.42 C ATOM 139 CD1 PHE A 10 0.835 -2.384 -1.918 1.00 55.12 C ATOM 140 CD2 PHE A 10 1.911 -3.558 -3.693 1.00 1.24 C ATOM 141 CE1 PHE A 10 0.312 -1.483 -2.827 1.00 64.33 C ATOM 142 CE2 PHE A 10 1.392 -2.660 -4.606 1.00 41.14 C ATOM 143 CZ PHE A 10 0.592 -1.621 -4.173 1.00 5.32 C ATOM 0 H PHE A 10 2.940 -2.161 0.203 1.00 32.41 H new ATOM 0 HA PHE A 10 4.078 -4.824 -0.385 1.00 4.21 H new ATOM 0 HB2 PHE A 10 2.360 -5.366 -1.846 1.00 71.42 H new ATOM 0 HB3 PHE A 10 1.474 -4.575 -0.558 1.00 71.42 H new ATOM 0 HD1 PHE A 10 0.615 -2.270 -0.867 1.00 55.12 H new ATOM 0 HD2 PHE A 10 2.537 -4.368 -4.038 1.00 1.24 H new ATOM 0 HE1 PHE A 10 -0.315 -0.672 -2.485 1.00 64.33 H new ATOM 0 HE2 PHE A 10 1.612 -2.771 -5.658 1.00 41.14 H new ATOM 0 HZ PHE A 10 0.186 -0.918 -4.885 1.00 5.32 H new ATOM 153 N THR A 11 4.934 -3.968 -2.696 1.00 65.41 N ATOM 154 CA THR A 11 5.764 -3.390 -3.745 1.00 42.52 C ATOM 155 C THR A 11 5.401 -3.960 -5.111 1.00 60.32 C ATOM 156 O THR A 11 5.336 -5.177 -5.290 1.00 21.33 O ATOM 157 CB THR A 11 7.261 -3.638 -3.479 1.00 71.00 C ATOM 158 OG1 THR A 11 7.560 -3.394 -2.100 1.00 45.43 O ATOM 159 CG2 THR A 11 8.123 -2.743 -4.357 1.00 15.01 C ATOM 0 H THR A 11 4.837 -4.982 -2.746 1.00 65.41 H new ATOM 0 HA THR A 11 5.575 -2.317 -3.741 1.00 42.52 H new ATOM 0 HB THR A 11 7.483 -4.678 -3.720 1.00 71.00 H new ATOM 0 HG1 THR A 11 8.513 -3.555 -1.938 1.00 45.43 H new ATOM 0 HG21 THR A 11 9.176 -2.936 -4.151 1.00 15.01 H new ATOM 0 HG22 THR A 11 7.914 -2.952 -5.406 1.00 15.01 H new ATOM 0 HG23 THR A 11 7.898 -1.698 -4.144 1.00 15.01 H new ATOM 167 N LEU A 12 5.166 -3.075 -6.073 1.00 74.13 N ATOM 168 CA LEU A 12 4.810 -3.491 -7.425 1.00 74.25 C ATOM 169 C LEU A 12 5.811 -2.953 -8.442 1.00 63.32 C ATOM 170 O LEU A 12 6.001 -1.744 -8.561 1.00 40.31 O ATOM 171 CB LEU A 12 3.401 -3.007 -7.775 1.00 22.40 C ATOM 172 CG LEU A 12 3.039 -3.012 -9.261 1.00 22.24 C ATOM 173 CD1 LEU A 12 3.454 -4.325 -9.907 1.00 11.12 C ATOM 174 CD2 LEU A 12 1.548 -2.771 -9.447 1.00 62.51 C ATOM 0 H LEU A 12 5.216 -2.065 -5.942 1.00 74.13 H new ATOM 0 HA LEU A 12 4.833 -4.580 -7.461 1.00 74.25 H new ATOM 0 HB2 LEU A 12 2.682 -3.631 -7.244 1.00 22.40 H new ATOM 0 HB3 LEU A 12 3.283 -1.992 -7.396 1.00 22.40 H new ATOM 0 HG LEU A 12 3.581 -2.203 -9.751 1.00 22.24 H new ATOM 0 HD11 LEU A 12 3.188 -4.310 -10.964 1.00 11.12 H new ATOM 0 HD12 LEU A 12 4.531 -4.456 -9.805 1.00 11.12 H new ATOM 0 HD13 LEU A 12 2.940 -5.151 -9.415 1.00 11.12 H new ATOM 0 HD21 LEU A 12 1.308 -2.778 -10.510 1.00 62.51 H new ATOM 0 HD22 LEU A 12 0.987 -3.558 -8.943 1.00 62.51 H new ATOM 0 HD23 LEU A 12 1.280 -1.804 -9.021 1.00 62.51 H new ATOM 186 N ASN A 13 6.448 -3.861 -9.175 1.00 23.11 N ATOM 187 CA ASN A 13 7.430 -3.478 -10.183 1.00 54.44 C ATOM 188 C ASN A 13 6.833 -3.567 -11.585 1.00 31.33 C ATOM 189 O ASN A 13 6.115 -4.513 -11.905 1.00 61.51 O ATOM 190 CB ASN A 13 8.668 -4.371 -10.086 1.00 33.20 C ATOM 191 CG ASN A 13 8.398 -5.787 -10.559 1.00 12.43 C ATOM 192 OD1 ASN A 13 8.580 -6.106 -11.734 1.00 4.04 O ATOM 193 ND2 ASN A 13 7.960 -6.643 -9.643 1.00 3.12 N ATOM 0 H ASN A 13 6.302 -4.867 -9.090 1.00 23.11 H new ATOM 0 HA ASN A 13 7.721 -2.444 -9.996 1.00 54.44 H new ATOM 0 HB2 ASN A 13 9.472 -3.939 -10.682 1.00 33.20 H new ATOM 0 HB3 ASN A 13 9.015 -4.396 -9.053 1.00 33.20 H new ATOM 0 HD21 ASN A 13 7.760 -7.609 -9.902 1.00 3.12 H new ATOM 0 HD22 ASN A 13 7.824 -6.334 -8.680 1.00 3.12 H new ATOM 200 N ASN A 14 7.136 -2.575 -12.416 1.00 23.33 N ATOM 201 CA ASN A 14 6.630 -2.542 -13.783 1.00 42.01 C ATOM 202 C ASN A 14 5.119 -2.751 -13.809 1.00 62.31 C ATOM 203 O ASN A 14 4.613 -3.736 -14.347 1.00 21.52 O ATOM 204 CB ASN A 14 7.319 -3.613 -14.630 1.00 65.44 C ATOM 205 CG ASN A 14 8.831 -3.507 -14.579 1.00 24.33 C ATOM 206 OD1 ASN A 14 9.382 -2.428 -14.362 1.00 51.32 O ATOM 207 ND2 ASN A 14 9.510 -4.631 -14.778 1.00 43.02 N ATOM 0 H ASN A 14 7.729 -1.784 -12.167 1.00 23.33 H new ATOM 0 HA ASN A 14 6.850 -1.560 -14.202 1.00 42.01 H new ATOM 0 HB2 ASN A 14 7.015 -4.600 -14.281 1.00 65.44 H new ATOM 0 HB3 ASN A 14 6.986 -3.524 -15.664 1.00 65.44 H new ATOM 0 HD21 ASN A 14 10.530 -4.622 -14.754 1.00 43.02 H new ATOM 0 HD22 ASN A 14 9.012 -5.503 -14.955 1.00 43.02 H new ATOM 214 N PRO A 15 4.380 -1.803 -13.215 1.00 42.41 N ATOM 215 CA PRO A 15 2.916 -1.860 -13.158 1.00 5.45 C ATOM 216 C PRO A 15 2.274 -1.643 -14.523 1.00 72.13 C ATOM 217 O PRO A 15 2.886 -1.070 -15.425 1.00 43.32 O ATOM 218 CB PRO A 15 2.554 -0.715 -12.208 1.00 51.24 C ATOM 219 CG PRO A 15 3.693 0.240 -12.313 1.00 60.54 C ATOM 220 CD PRO A 15 4.916 -0.601 -12.554 1.00 45.12 C ATOM 0 HA PRO A 15 2.558 -2.835 -12.828 1.00 5.45 H new ATOM 0 HB2 PRO A 15 1.614 -0.244 -12.496 1.00 51.24 H new ATOM 0 HB3 PRO A 15 2.431 -1.073 -11.186 1.00 51.24 H new ATOM 0 HG2 PRO A 15 3.537 0.945 -13.129 1.00 60.54 H new ATOM 0 HG3 PRO A 15 3.796 0.827 -11.400 1.00 60.54 H new ATOM 0 HD2 PRO A 15 5.640 -0.085 -13.184 1.00 45.12 H new ATOM 0 HD3 PRO A 15 5.424 -0.848 -11.622 1.00 45.12 H new ATOM 228 N LEU A 16 1.037 -2.104 -14.669 1.00 74.35 N ATOM 229 CA LEU A 16 0.310 -1.960 -15.926 1.00 70.43 C ATOM 230 C LEU A 16 -0.727 -0.846 -15.831 1.00 40.22 C ATOM 231 O LEU A 16 -1.368 -0.494 -16.822 1.00 23.33 O ATOM 232 CB LEU A 16 -0.373 -3.278 -16.297 1.00 12.11 C ATOM 233 CG LEU A 16 0.529 -4.355 -16.901 1.00 33.04 C ATOM 234 CD1 LEU A 16 0.161 -5.726 -16.356 1.00 34.31 C ATOM 235 CD2 LEU A 16 0.435 -4.340 -18.419 1.00 53.54 C ATOM 0 H LEU A 16 0.516 -2.581 -13.933 1.00 74.35 H new ATOM 0 HA LEU A 16 1.027 -1.698 -16.704 1.00 70.43 H new ATOM 0 HB2 LEU A 16 -0.842 -3.686 -15.401 1.00 12.11 H new ATOM 0 HB3 LEU A 16 -1.173 -3.063 -17.006 1.00 12.11 H new ATOM 0 HG LEU A 16 1.559 -4.139 -16.619 1.00 33.04 H new ATOM 0 HD11 LEU A 16 0.813 -6.480 -16.797 1.00 34.31 H new ATOM 0 HD12 LEU A 16 0.281 -5.731 -15.273 1.00 34.31 H new ATOM 0 HD13 LEU A 16 -0.875 -5.951 -16.607 1.00 34.31 H new ATOM 0 HD21 LEU A 16 1.084 -5.113 -18.831 1.00 53.54 H new ATOM 0 HD22 LEU A 16 -0.595 -4.531 -18.722 1.00 53.54 H new ATOM 0 HD23 LEU A 16 0.749 -3.366 -18.793 1.00 53.54 H new ATOM 247 N SER A 17 -0.885 -0.292 -14.633 1.00 72.40 N ATOM 248 CA SER A 17 -1.845 0.782 -14.408 1.00 35.30 C ATOM 249 C SER A 17 -1.823 1.234 -12.951 1.00 35.51 C ATOM 250 O SER A 17 -1.355 0.524 -12.061 1.00 65.51 O ATOM 251 CB SER A 17 -3.254 0.323 -14.790 1.00 51.44 C ATOM 252 OG SER A 17 -3.401 -1.075 -14.613 1.00 15.34 O ATOM 0 H SER A 17 -0.360 -0.569 -13.803 1.00 72.40 H new ATOM 0 HA SER A 17 -1.562 1.626 -15.037 1.00 35.30 H new ATOM 0 HB2 SER A 17 -3.989 0.849 -14.181 1.00 51.44 H new ATOM 0 HB3 SER A 17 -3.456 0.584 -15.829 1.00 51.44 H new ATOM 0 HG SER A 17 -4.310 -1.343 -14.862 1.00 15.34 H new ATOM 258 N PRO A 18 -2.343 2.444 -12.700 1.00 0.41 N ATOM 259 CA PRO A 18 -2.396 3.019 -11.353 1.00 2.35 C ATOM 260 C PRO A 18 -3.393 2.297 -10.453 1.00 3.03 C ATOM 261 O PRO A 18 -4.361 1.705 -10.931 1.00 63.54 O ATOM 262 CB PRO A 18 -2.846 4.461 -11.600 1.00 3.44 C ATOM 263 CG PRO A 18 -3.590 4.410 -12.889 1.00 43.43 C ATOM 264 CD PRO A 18 -2.919 3.345 -13.712 1.00 53.32 C ATOM 0 HA PRO A 18 -1.439 2.939 -10.838 1.00 2.35 H new ATOM 0 HB2 PRO A 18 -3.481 4.822 -10.791 1.00 3.44 H new ATOM 0 HB3 PRO A 18 -1.993 5.137 -11.662 1.00 3.44 H new ATOM 0 HG2 PRO A 18 -4.641 4.172 -12.724 1.00 43.43 H new ATOM 0 HG3 PRO A 18 -3.558 5.374 -13.397 1.00 43.43 H new ATOM 0 HD2 PRO A 18 -3.630 2.826 -14.354 1.00 53.32 H new ATOM 0 HD3 PRO A 18 -2.150 3.764 -14.361 1.00 53.32 H new ATOM 272 N LEU A 19 -3.151 2.350 -9.148 1.00 1.24 N ATOM 273 CA LEU A 19 -4.028 1.701 -8.180 1.00 35.11 C ATOM 274 C LEU A 19 -5.294 2.523 -7.955 1.00 24.22 C ATOM 275 O LEU A 19 -5.399 3.658 -8.419 1.00 1.13 O ATOM 276 CB LEU A 19 -3.295 1.498 -6.853 1.00 14.33 C ATOM 277 CG LEU A 19 -1.840 1.041 -6.953 1.00 4.51 C ATOM 278 CD1 LEU A 19 -1.140 1.191 -5.611 1.00 23.40 C ATOM 279 CD2 LEU A 19 -1.765 -0.399 -7.438 1.00 42.24 C ATOM 0 H LEU A 19 -2.355 2.836 -8.736 1.00 1.24 H new ATOM 0 HA LEU A 19 -4.315 0.729 -8.581 1.00 35.11 H new ATOM 0 HB2 LEU A 19 -3.323 2.436 -6.298 1.00 14.33 H new ATOM 0 HB3 LEU A 19 -3.846 0.764 -6.265 1.00 14.33 H new ATOM 0 HG LEU A 19 -1.330 1.674 -7.679 1.00 4.51 H new ATOM 0 HD11 LEU A 19 -0.105 0.861 -5.701 1.00 23.40 H new ATOM 0 HD12 LEU A 19 -1.162 2.237 -5.304 1.00 23.40 H new ATOM 0 HD13 LEU A 19 -1.651 0.583 -4.864 1.00 23.40 H new ATOM 0 HD21 LEU A 19 -0.721 -0.707 -7.503 1.00 42.24 H new ATOM 0 HD22 LEU A 19 -2.292 -1.047 -6.737 1.00 42.24 H new ATOM 0 HD23 LEU A 19 -2.228 -0.476 -8.422 1.00 42.24 H new ATOM 291 N SER A 20 -6.251 1.942 -7.238 1.00 43.11 N ATOM 292 CA SER A 20 -7.510 2.620 -6.953 1.00 3.15 C ATOM 293 C SER A 20 -8.073 2.175 -5.606 1.00 51.13 C ATOM 294 O SER A 20 -7.708 1.120 -5.085 1.00 50.42 O ATOM 295 CB SER A 20 -8.526 2.341 -8.061 1.00 55.11 C ATOM 296 OG SER A 20 -8.082 2.859 -9.303 1.00 62.20 O ATOM 0 H SER A 20 -6.178 1.004 -6.844 1.00 43.11 H new ATOM 0 HA SER A 20 -7.316 3.692 -6.910 1.00 3.15 H new ATOM 0 HB2 SER A 20 -8.687 1.267 -8.148 1.00 55.11 H new ATOM 0 HB3 SER A 20 -9.485 2.787 -7.800 1.00 55.11 H new ATOM 0 HG SER A 20 -8.749 2.666 -9.995 1.00 62.20 H new ATOM 302 N LEU A 21 -8.965 2.986 -5.048 1.00 44.41 N ATOM 303 CA LEU A 21 -9.580 2.678 -3.762 1.00 31.10 C ATOM 304 C LEU A 21 -10.359 1.368 -3.831 1.00 51.32 C ATOM 305 O LEU A 21 -10.860 0.987 -4.890 1.00 21.24 O ATOM 306 CB LEU A 21 -10.509 3.815 -3.333 1.00 71.00 C ATOM 307 CG LEU A 21 -11.444 3.512 -2.161 1.00 42.34 C ATOM 308 CD1 LEU A 21 -10.650 3.347 -0.875 1.00 34.15 C ATOM 309 CD2 LEU A 21 -12.484 4.613 -2.011 1.00 30.20 C ATOM 0 H LEU A 21 -9.278 3.862 -5.466 1.00 44.41 H new ATOM 0 HA LEU A 21 -8.785 2.569 -3.024 1.00 31.10 H new ATOM 0 HB2 LEU A 21 -9.897 4.678 -3.070 1.00 71.00 H new ATOM 0 HB3 LEU A 21 -11.116 4.105 -4.191 1.00 71.00 H new ATOM 0 HG LEU A 21 -11.963 2.575 -2.366 1.00 42.34 H new ATOM 0 HD11 LEU A 21 -11.331 3.132 -0.052 1.00 34.15 H new ATOM 0 HD12 LEU A 21 -9.944 2.524 -0.986 1.00 34.15 H new ATOM 0 HD13 LEU A 21 -10.105 4.267 -0.664 1.00 34.15 H new ATOM 0 HD21 LEU A 21 -13.141 4.381 -1.173 1.00 30.20 H new ATOM 0 HD22 LEU A 21 -11.983 5.564 -1.828 1.00 30.20 H new ATOM 0 HD23 LEU A 21 -13.074 4.684 -2.925 1.00 30.20 H new ATOM 321 N HIS A 22 -10.459 0.684 -2.696 1.00 13.53 N ATOM 322 CA HIS A 22 -11.180 -0.582 -2.627 1.00 12.32 C ATOM 323 C HIS A 22 -12.397 -0.465 -1.714 1.00 31.01 C ATOM 324 O HIS A 22 -12.336 0.168 -0.660 1.00 22.23 O ATOM 325 CB HIS A 22 -10.256 -1.692 -2.125 1.00 74.14 C ATOM 326 CG HIS A 22 -10.743 -3.070 -2.454 1.00 41.12 C ATOM 327 ND1 HIS A 22 -10.691 -4.119 -1.561 1.00 72.32 N ATOM 328 CD2 HIS A 22 -11.294 -3.568 -3.586 1.00 14.53 C ATOM 329 CE1 HIS A 22 -11.188 -5.203 -2.130 1.00 32.22 C ATOM 330 NE2 HIS A 22 -11.562 -4.895 -3.359 1.00 20.14 N ATOM 0 H HIS A 22 -10.050 0.985 -1.811 1.00 13.53 H new ATOM 0 HA HIS A 22 -11.524 -0.832 -3.631 1.00 12.32 H new ATOM 0 HB2 HIS A 22 -9.265 -1.553 -2.558 1.00 74.14 H new ATOM 0 HB3 HIS A 22 -10.147 -1.602 -1.044 1.00 74.14 H new ATOM 0 HD2 HIS A 22 -11.487 -3.023 -4.498 1.00 14.53 H new ATOM 0 HE1 HIS A 22 -11.274 -6.176 -1.669 1.00 32.22 H new ATOM 0 HE2 HIS A 22 -11.982 -5.538 -4.030 1.00 20.14 H new ATOM 338 N ASP A 23 -13.501 -1.078 -2.126 1.00 62.44 N ATOM 339 CA ASP A 23 -14.732 -1.044 -1.346 1.00 11.43 C ATOM 340 C ASP A 23 -14.543 -1.739 -0.001 1.00 42.02 C ATOM 341 O ASP A 23 -15.268 -1.469 0.956 1.00 1.22 O ATOM 342 CB ASP A 23 -15.872 -1.707 -2.121 1.00 4.21 C ATOM 343 CG ASP A 23 -16.867 -0.699 -2.661 1.00 75.51 C ATOM 344 OD1 ASP A 23 -16.472 0.133 -3.504 1.00 2.43 O ATOM 345 OD2 ASP A 23 -18.043 -0.744 -2.242 1.00 22.50 O ATOM 0 H ASP A 23 -13.568 -1.605 -2.997 1.00 62.44 H new ATOM 0 HA ASP A 23 -14.987 -0.000 -1.163 1.00 11.43 H new ATOM 0 HB2 ASP A 23 -15.458 -2.284 -2.948 1.00 4.21 H new ATOM 0 HB3 ASP A 23 -16.390 -2.411 -1.469 1.00 4.21 H new ATOM 350 N SER A 24 -13.564 -2.636 0.063 1.00 73.33 N ATOM 351 CA SER A 24 -13.283 -3.374 1.288 1.00 23.35 C ATOM 352 C SER A 24 -12.367 -2.572 2.207 1.00 5.24 C ATOM 353 O SER A 24 -12.555 -2.549 3.423 1.00 24.13 O ATOM 354 CB SER A 24 -12.640 -4.723 0.960 1.00 31.44 C ATOM 355 OG SER A 24 -13.286 -5.342 -0.139 1.00 2.01 O ATOM 0 H SER A 24 -12.952 -2.869 -0.719 1.00 73.33 H new ATOM 0 HA SER A 24 -14.228 -3.546 1.804 1.00 23.35 H new ATOM 0 HB2 SER A 24 -11.584 -4.580 0.732 1.00 31.44 H new ATOM 0 HB3 SER A 24 -12.692 -5.376 1.831 1.00 31.44 H new ATOM 0 HG SER A 24 -12.966 -6.264 -0.230 1.00 2.01 H new ATOM 361 N MET A 25 -11.374 -1.915 1.616 1.00 13.41 N ATOM 362 CA MET A 25 -10.429 -1.110 2.381 1.00 42.52 C ATOM 363 C MET A 25 -11.086 0.173 2.881 1.00 75.24 C ATOM 364 O MET A 25 -12.286 0.379 2.698 1.00 15.42 O ATOM 365 CB MET A 25 -9.207 -0.770 1.525 1.00 3.14 C ATOM 366 CG MET A 25 -9.426 0.411 0.593 1.00 34.43 C ATOM 367 SD MET A 25 -7.900 0.979 -0.180 1.00 23.24 S ATOM 368 CE MET A 25 -7.467 -0.452 -1.167 1.00 12.22 C ATOM 0 H MET A 25 -11.203 -1.924 0.610 1.00 13.41 H new ATOM 0 HA MET A 25 -10.109 -1.693 3.244 1.00 42.52 H new ATOM 0 HB2 MET A 25 -8.364 -0.553 2.181 1.00 3.14 H new ATOM 0 HB3 MET A 25 -8.934 -1.644 0.933 1.00 3.14 H new ATOM 0 HG2 MET A 25 -10.138 0.129 -0.182 1.00 34.43 H new ATOM 0 HG3 MET A 25 -9.873 1.233 1.153 1.00 34.43 H new ATOM 0 HE1 MET A 25 -6.394 -0.451 -1.357 1.00 12.22 H new ATOM 0 HE2 MET A 25 -7.740 -1.360 -0.630 1.00 12.22 H new ATOM 0 HE3 MET A 25 -8.004 -0.416 -2.115 1.00 12.22 H new ATOM 378 N LYS A 26 -10.294 1.032 3.512 1.00 25.22 N ATOM 379 CA LYS A 26 -10.798 2.295 4.038 1.00 64.11 C ATOM 380 C LYS A 26 -9.912 3.458 3.602 1.00 30.21 C ATOM 381 O LYS A 26 -10.403 4.547 3.305 1.00 0.34 O ATOM 382 CB LYS A 26 -10.872 2.242 5.566 1.00 74.55 C ATOM 383 CG LYS A 26 -12.280 2.408 6.112 1.00 41.22 C ATOM 384 CD LYS A 26 -12.277 3.126 7.451 1.00 21.32 C ATOM 385 CE LYS A 26 -13.691 3.413 7.933 1.00 43.24 C ATOM 386 NZ LYS A 26 -14.069 2.554 9.089 1.00 65.24 N ATOM 0 H LYS A 26 -9.299 0.877 3.672 1.00 25.22 H new ATOM 0 HA LYS A 26 -11.799 2.453 3.637 1.00 64.11 H new ATOM 0 HB2 LYS A 26 -10.468 1.289 5.908 1.00 74.55 H new ATOM 0 HB3 LYS A 26 -10.236 3.025 5.980 1.00 74.55 H new ATOM 0 HG2 LYS A 26 -12.884 2.969 5.399 1.00 41.22 H new ATOM 0 HG3 LYS A 26 -12.746 1.429 6.224 1.00 41.22 H new ATOM 0 HD2 LYS A 26 -11.756 2.517 8.190 1.00 21.32 H new ATOM 0 HD3 LYS A 26 -11.725 4.062 7.362 1.00 21.32 H new ATOM 0 HE2 LYS A 26 -13.771 4.462 8.219 1.00 43.24 H new ATOM 0 HE3 LYS A 26 -14.393 3.251 7.115 1.00 43.24 H new ATOM 0 HZ1 LYS A 26 -15.039 2.781 9.387 1.00 65.24 H new ATOM 0 HZ2 LYS A 26 -14.017 1.554 8.810 1.00 65.24 H new ATOM 0 HZ3 LYS A 26 -13.415 2.727 9.879 1.00 65.24 H new ATOM 400 N TYR A 27 -8.606 3.219 3.565 1.00 61.15 N ATOM 401 CA TYR A 27 -7.652 4.247 3.165 1.00 31.04 C ATOM 402 C TYR A 27 -6.678 3.711 2.120 1.00 35.44 C ATOM 403 O TYR A 27 -6.265 2.552 2.176 1.00 34.51 O ATOM 404 CB TYR A 27 -6.880 4.757 4.384 1.00 72.33 C ATOM 405 CG TYR A 27 -6.301 6.141 4.198 1.00 61.13 C ATOM 406 CD1 TYR A 27 -7.074 7.176 3.686 1.00 32.21 C ATOM 407 CD2 TYR A 27 -4.980 6.414 4.533 1.00 75.24 C ATOM 408 CE1 TYR A 27 -6.549 8.442 3.514 1.00 72.03 C ATOM 409 CE2 TYR A 27 -4.448 7.677 4.365 1.00 5.11 C ATOM 410 CZ TYR A 27 -5.236 8.688 3.855 1.00 24.32 C ATOM 411 OH TYR A 27 -4.708 9.947 3.685 1.00 0.34 O ATOM 0 H TYR A 27 -8.184 2.323 3.807 1.00 61.15 H new ATOM 0 HA TYR A 27 -8.210 5.073 2.724 1.00 31.04 H new ATOM 0 HB2 TYR A 27 -7.545 4.763 5.248 1.00 72.33 H new ATOM 0 HB3 TYR A 27 -6.072 4.061 4.609 1.00 72.33 H new ATOM 0 HD1 TYR A 27 -8.103 6.987 3.418 1.00 32.21 H new ATOM 0 HD2 TYR A 27 -4.359 5.625 4.931 1.00 75.24 H new ATOM 0 HE1 TYR A 27 -7.164 9.235 3.114 1.00 72.03 H new ATOM 0 HE2 TYR A 27 -3.420 7.873 4.632 1.00 5.11 H new ATOM 0 HH TYR A 27 -3.868 10.019 4.184 1.00 0.34 H new ATOM 421 N LEU A 28 -6.315 4.562 1.168 1.00 51.40 N ATOM 422 CA LEU A 28 -5.389 4.176 0.109 1.00 51.31 C ATOM 423 C LEU A 28 -4.225 5.158 0.018 1.00 13.24 C ATOM 424 O LEU A 28 -4.426 6.363 -0.138 1.00 72.44 O ATOM 425 CB LEU A 28 -6.119 4.108 -1.234 1.00 21.33 C ATOM 426 CG LEU A 28 -5.233 3.978 -2.473 1.00 71.23 C ATOM 427 CD1 LEU A 28 -4.249 2.830 -2.308 1.00 51.13 C ATOM 428 CD2 LEU A 28 -6.084 3.778 -3.719 1.00 35.04 C ATOM 0 H LEU A 28 -6.648 5.524 1.107 1.00 51.40 H new ATOM 0 HA LEU A 28 -4.991 3.190 0.350 1.00 51.31 H new ATOM 0 HB2 LEU A 28 -6.803 3.260 -1.210 1.00 21.33 H new ATOM 0 HB3 LEU A 28 -6.728 5.006 -1.340 1.00 21.33 H new ATOM 0 HG LEU A 28 -4.666 4.902 -2.589 1.00 71.23 H new ATOM 0 HD11 LEU A 28 -3.627 2.753 -3.200 1.00 51.13 H new ATOM 0 HD12 LEU A 28 -3.617 3.015 -1.439 1.00 51.13 H new ATOM 0 HD13 LEU A 28 -4.797 1.899 -2.166 1.00 51.13 H new ATOM 0 HD21 LEU A 28 -5.437 3.687 -4.591 1.00 35.04 H new ATOM 0 HD22 LEU A 28 -6.678 2.870 -3.612 1.00 35.04 H new ATOM 0 HD23 LEU A 28 -6.748 4.633 -3.847 1.00 35.04 H new ATOM 440 N VAL A 29 -3.007 4.635 0.116 1.00 33.03 N ATOM 441 CA VAL A 29 -1.811 5.465 0.042 1.00 24.41 C ATOM 442 C VAL A 29 -0.698 4.757 -0.723 1.00 22.13 C ATOM 443 O VAL A 29 -0.269 3.665 -0.348 1.00 15.24 O ATOM 444 CB VAL A 29 -1.298 5.836 1.446 1.00 5.40 C ATOM 445 CG1 VAL A 29 -0.015 6.648 1.348 1.00 24.33 C ATOM 446 CG2 VAL A 29 -2.363 6.600 2.217 1.00 34.04 C ATOM 0 H VAL A 29 -2.823 3.640 0.247 1.00 33.03 H new ATOM 0 HA VAL A 29 -2.090 6.376 -0.487 1.00 24.41 H new ATOM 0 HB VAL A 29 -1.078 4.916 1.988 1.00 5.40 H new ATOM 0 HG11 VAL A 29 0.333 6.901 2.350 1.00 24.33 H new ATOM 0 HG12 VAL A 29 0.748 6.062 0.836 1.00 24.33 H new ATOM 0 HG13 VAL A 29 -0.206 7.563 0.788 1.00 24.33 H new ATOM 0 HG21 VAL A 29 -1.984 6.854 3.207 1.00 34.04 H new ATOM 0 HG22 VAL A 29 -2.616 7.514 1.680 1.00 34.04 H new ATOM 0 HG23 VAL A 29 -3.254 5.980 2.318 1.00 34.04 H new ATOM 456 N TYR A 30 -0.233 5.386 -1.797 1.00 33.25 N ATOM 457 CA TYR A 30 0.829 4.816 -2.616 1.00 62.43 C ATOM 458 C TYR A 30 1.611 5.911 -3.335 1.00 13.43 C ATOM 459 O TYR A 30 1.055 6.947 -3.698 1.00 41.54 O ATOM 460 CB TYR A 30 0.245 3.837 -3.637 1.00 3.40 C ATOM 461 CG TYR A 30 -0.413 4.515 -4.817 1.00 52.22 C ATOM 462 CD1 TYR A 30 0.323 4.861 -5.944 1.00 53.10 C ATOM 463 CD2 TYR A 30 -1.771 4.811 -4.806 1.00 23.45 C ATOM 464 CE1 TYR A 30 -0.274 5.481 -7.025 1.00 14.14 C ATOM 465 CE2 TYR A 30 -2.376 5.429 -5.882 1.00 15.00 C ATOM 466 CZ TYR A 30 -1.624 5.763 -6.989 1.00 32.50 C ATOM 467 OH TYR A 30 -2.224 6.380 -8.063 1.00 23.02 O ATOM 0 H TYR A 30 -0.575 6.291 -2.120 1.00 33.25 H new ATOM 0 HA TYR A 30 1.512 4.280 -1.957 1.00 62.43 H new ATOM 0 HB2 TYR A 30 1.040 3.186 -4.000 1.00 3.40 H new ATOM 0 HB3 TYR A 30 -0.487 3.200 -3.140 1.00 3.40 H new ATOM 0 HD1 TYR A 30 1.380 4.641 -5.975 1.00 53.10 H new ATOM 0 HD2 TYR A 30 -2.363 4.553 -3.941 1.00 23.45 H new ATOM 0 HE1 TYR A 30 0.313 5.743 -7.893 1.00 14.14 H new ATOM 0 HE2 TYR A 30 -3.433 5.650 -5.857 1.00 15.00 H new ATOM 0 HH TYR A 30 -3.178 6.506 -7.877 1.00 23.02 H new ATOM 477 N GLN A 31 2.903 5.673 -3.535 1.00 52.14 N ATOM 478 CA GLN A 31 3.761 6.639 -4.210 1.00 44.22 C ATOM 479 C GLN A 31 4.630 5.955 -5.261 1.00 12.21 C ATOM 480 O GLN A 31 4.859 4.747 -5.202 1.00 71.41 O ATOM 481 CB GLN A 31 4.646 7.364 -3.194 1.00 54.52 C ATOM 482 CG GLN A 31 4.140 7.261 -1.764 1.00 53.34 C ATOM 483 CD GLN A 31 4.971 8.074 -0.791 1.00 70.22 C ATOM 484 OE1 GLN A 31 4.434 8.761 0.078 1.00 4.40 O ATOM 485 NE2 GLN A 31 6.289 7.999 -0.932 1.00 22.31 N ATOM 0 H GLN A 31 3.378 4.820 -3.239 1.00 52.14 H new ATOM 0 HA GLN A 31 3.122 7.367 -4.710 1.00 44.22 H new ATOM 0 HB2 GLN A 31 5.654 6.953 -3.244 1.00 54.52 H new ATOM 0 HB3 GLN A 31 4.716 8.416 -3.471 1.00 54.52 H new ATOM 0 HG2 GLN A 31 3.105 7.600 -1.724 1.00 53.34 H new ATOM 0 HG3 GLN A 31 4.145 6.216 -1.455 1.00 53.34 H new ATOM 0 HE21 GLN A 31 6.691 7.417 -1.667 1.00 22.31 H new ATOM 0 HE22 GLN A 31 6.900 8.524 -0.306 1.00 22.31 H new ATOM 494 N THR A 32 5.111 6.736 -6.223 1.00 64.12 N ATOM 495 CA THR A 32 5.953 6.206 -7.288 1.00 62.41 C ATOM 496 C THR A 32 7.431 6.326 -6.932 1.00 73.25 C ATOM 497 O THR A 32 7.843 7.278 -6.271 1.00 21.44 O ATOM 498 CB THR A 32 5.697 6.933 -8.622 1.00 20.34 C ATOM 499 OG1 THR A 32 4.364 7.456 -8.646 1.00 63.33 O ATOM 500 CG2 THR A 32 5.900 5.991 -9.799 1.00 54.11 C ATOM 0 H THR A 32 4.932 7.738 -6.286 1.00 64.12 H new ATOM 0 HA THR A 32 5.694 5.153 -7.401 1.00 62.41 H new ATOM 0 HB THR A 32 6.410 7.753 -8.707 1.00 20.34 H new ATOM 0 HG1 THR A 32 4.209 7.918 -9.496 1.00 63.33 H new ATOM 0 HG21 THR A 32 5.714 6.526 -10.730 1.00 54.11 H new ATOM 0 HG22 THR A 32 6.924 5.618 -9.794 1.00 54.11 H new ATOM 0 HG23 THR A 32 5.208 5.153 -9.718 1.00 54.11 H new ATOM 508 N GLU A 33 8.223 5.355 -7.377 1.00 74.00 N ATOM 509 CA GLU A 33 9.655 5.354 -7.105 1.00 21.34 C ATOM 510 C GLU A 33 10.438 4.845 -8.312 1.00 1.33 C ATOM 511 O GLU A 33 9.871 4.243 -9.223 1.00 13.13 O ATOM 512 CB GLU A 33 9.963 4.488 -5.881 1.00 64.34 C ATOM 513 CG GLU A 33 9.740 5.201 -4.559 1.00 2.24 C ATOM 514 CD GLU A 33 9.036 4.329 -3.537 1.00 41.50 C ATOM 515 OE1 GLU A 33 9.734 3.624 -2.779 1.00 31.32 O ATOM 516 OE2 GLU A 33 7.788 4.353 -3.496 1.00 24.53 O ATOM 0 H GLU A 33 7.897 4.560 -7.927 1.00 74.00 H new ATOM 0 HA GLU A 33 9.961 6.380 -6.902 1.00 21.34 H new ATOM 0 HB2 GLU A 33 9.339 3.595 -5.912 1.00 64.34 H new ATOM 0 HB3 GLU A 33 10.999 4.155 -5.934 1.00 64.34 H new ATOM 0 HG2 GLU A 33 10.701 5.522 -4.157 1.00 2.24 H new ATOM 0 HG3 GLU A 33 9.150 6.101 -4.731 1.00 2.24 H new ATOM 523 N GLN A 34 11.744 5.093 -8.310 1.00 12.21 N ATOM 524 CA GLN A 34 12.604 4.662 -9.405 1.00 64.21 C ATOM 525 C GLN A 34 13.542 3.547 -8.954 1.00 4.24 C ATOM 526 O GLN A 34 14.228 3.672 -7.940 1.00 21.22 O ATOM 527 CB GLN A 34 13.416 5.843 -9.939 1.00 64.13 C ATOM 528 CG GLN A 34 13.931 5.637 -11.355 1.00 32.11 C ATOM 529 CD GLN A 34 13.311 6.601 -12.347 1.00 72.11 C ATOM 530 OE1 GLN A 34 13.709 7.763 -12.433 1.00 31.10 O ATOM 531 NE2 GLN A 34 12.330 6.123 -13.104 1.00 20.51 N ATOM 0 H GLN A 34 12.229 5.590 -7.563 1.00 12.21 H new ATOM 0 HA GLN A 34 11.969 4.277 -10.203 1.00 64.21 H new ATOM 0 HB2 GLN A 34 12.797 6.740 -9.913 1.00 64.13 H new ATOM 0 HB3 GLN A 34 14.262 6.021 -9.276 1.00 64.13 H new ATOM 0 HG2 GLN A 34 15.014 5.758 -11.365 1.00 32.11 H new ATOM 0 HG3 GLN A 34 13.722 4.614 -11.669 1.00 32.11 H new ATOM 0 HE21 GLN A 34 12.032 5.153 -13.000 1.00 20.51 H new ATOM 0 HE22 GLN A 34 11.875 6.726 -13.790 1.00 20.51 H new ATOM 540 N GLY A 35 13.567 2.457 -9.714 1.00 31.41 N ATOM 541 CA GLY A 35 14.424 1.335 -9.375 1.00 53.32 C ATOM 542 C GLY A 35 14.644 0.400 -10.547 1.00 64.41 C ATOM 543 O GLY A 35 14.764 0.843 -11.689 1.00 34.32 O ATOM 0 H GLY A 35 13.009 2.330 -10.559 1.00 31.41 H new ATOM 0 HA2 GLY A 35 15.387 1.709 -9.027 1.00 53.32 H new ATOM 0 HA3 GLY A 35 13.980 0.779 -8.549 1.00 53.32 H new ATOM 547 N GLU A 36 14.701 -0.898 -10.264 1.00 33.11 N ATOM 548 CA GLU A 36 14.911 -1.898 -11.304 1.00 42.12 C ATOM 549 C GLU A 36 14.004 -1.635 -12.503 1.00 31.32 C ATOM 550 O GLU A 36 12.944 -1.023 -12.370 1.00 65.43 O ATOM 551 CB GLU A 36 14.653 -3.302 -10.753 1.00 42.22 C ATOM 552 CG GLU A 36 13.293 -3.456 -10.094 1.00 21.25 C ATOM 553 CD GLU A 36 13.213 -4.681 -9.203 1.00 15.34 C ATOM 554 OE1 GLU A 36 14.188 -4.948 -8.471 1.00 2.23 O ATOM 555 OE2 GLU A 36 12.173 -5.372 -9.238 1.00 13.43 O ATOM 0 H GLU A 36 14.605 -1.281 -9.324 1.00 33.11 H new ATOM 0 HA GLU A 36 15.948 -1.830 -11.633 1.00 42.12 H new ATOM 0 HB2 GLU A 36 14.737 -4.023 -11.566 1.00 42.22 H new ATOM 0 HB3 GLU A 36 15.429 -3.547 -10.028 1.00 42.22 H new ATOM 0 HG2 GLU A 36 13.077 -2.566 -9.503 1.00 21.25 H new ATOM 0 HG3 GLU A 36 12.525 -3.521 -10.865 1.00 21.25 H new ATOM 562 N ALA A 37 14.428 -2.102 -13.672 1.00 64.43 N ATOM 563 CA ALA A 37 13.654 -1.920 -14.894 1.00 65.20 C ATOM 564 C ALA A 37 13.579 -0.447 -15.281 1.00 74.22 C ATOM 565 O ALA A 37 13.391 0.420 -14.429 1.00 34.21 O ATOM 566 CB ALA A 37 12.256 -2.496 -14.724 1.00 4.10 C ATOM 0 H ALA A 37 15.304 -2.609 -13.799 1.00 64.43 H new ATOM 0 HA ALA A 37 14.159 -2.455 -15.698 1.00 65.20 H new ATOM 0 HB1 ALA A 37 11.689 -2.353 -15.644 1.00 4.10 H new ATOM 0 HB2 ALA A 37 12.326 -3.561 -14.502 1.00 4.10 H new ATOM 0 HB3 ALA A 37 11.750 -1.987 -13.904 1.00 4.10 H new ATOM 572 N GLY A 38 13.727 -0.171 -16.573 1.00 70.14 N ATOM 573 CA GLY A 38 13.673 1.198 -17.050 1.00 40.53 C ATOM 574 C GLY A 38 12.429 1.927 -16.582 1.00 73.34 C ATOM 575 O GLY A 38 12.420 3.153 -16.483 1.00 32.23 O ATOM 0 H GLY A 38 13.883 -0.871 -17.298 1.00 70.14 H new ATOM 0 HA2 GLY A 38 14.556 1.735 -16.704 1.00 40.53 H new ATOM 0 HA3 GLY A 38 13.704 1.201 -18.140 1.00 40.53 H new ATOM 579 N ASN A 39 11.374 1.170 -16.296 1.00 64.20 N ATOM 580 CA ASN A 39 10.118 1.751 -15.838 1.00 53.43 C ATOM 581 C ASN A 39 10.177 2.071 -14.348 1.00 4.52 C ATOM 582 O ASN A 39 11.246 2.033 -13.737 1.00 11.21 O ATOM 583 CB ASN A 39 8.957 0.795 -16.120 1.00 12.31 C ATOM 584 CG ASN A 39 8.945 0.307 -17.555 1.00 65.35 C ATOM 585 OD1 ASN A 39 8.524 1.023 -18.463 1.00 55.04 O ATOM 586 ND2 ASN A 39 9.410 -0.919 -17.767 1.00 23.23 N ATOM 0 H ASN A 39 11.365 0.153 -16.374 1.00 64.20 H new ATOM 0 HA ASN A 39 9.956 2.680 -16.384 1.00 53.43 H new ATOM 0 HB2 ASN A 39 9.024 -0.061 -15.449 1.00 12.31 H new ATOM 0 HB3 ASN A 39 8.015 1.298 -15.902 1.00 12.31 H new ATOM 0 HD21 ASN A 39 9.428 -1.301 -18.712 1.00 23.23 H new ATOM 0 HD22 ASN A 39 9.749 -1.478 -16.984 1.00 23.23 H new ATOM 593 N ILE A 40 9.023 2.386 -13.769 1.00 44.32 N ATOM 594 CA ILE A 40 8.944 2.711 -12.351 1.00 4.25 C ATOM 595 C ILE A 40 8.113 1.680 -11.596 1.00 32.42 C ATOM 596 O ILE A 40 7.400 0.878 -12.201 1.00 23.34 O ATOM 597 CB ILE A 40 8.336 4.108 -12.126 1.00 0.10 C ATOM 598 CG1 ILE A 40 7.113 4.306 -13.024 1.00 2.10 C ATOM 599 CG2 ILE A 40 9.375 5.187 -12.391 1.00 41.23 C ATOM 600 CD1 ILE A 40 6.500 5.684 -12.914 1.00 15.40 C ATOM 0 H ILE A 40 8.130 2.423 -14.261 1.00 44.32 H new ATOM 0 HA ILE A 40 9.965 2.702 -11.969 1.00 4.25 H new ATOM 0 HB ILE A 40 8.017 4.186 -11.087 1.00 0.10 H new ATOM 0 HG12 ILE A 40 7.400 4.127 -14.060 1.00 2.10 H new ATOM 0 HG13 ILE A 40 6.360 3.561 -12.768 1.00 2.10 H new ATOM 0 HG21 ILE A 40 8.930 6.169 -12.228 1.00 41.23 H new ATOM 0 HG22 ILE A 40 10.219 5.054 -11.714 1.00 41.23 H new ATOM 0 HG23 ILE A 40 9.722 5.113 -13.422 1.00 41.23 H new ATOM 0 HD11 ILE A 40 5.638 5.753 -13.578 1.00 15.40 H new ATOM 0 HD12 ILE A 40 6.182 5.860 -11.886 1.00 15.40 H new ATOM 0 HD13 ILE A 40 7.238 6.434 -13.198 1.00 15.40 H new ATOM 612 N HIS A 41 8.207 1.707 -10.270 1.00 61.31 N ATOM 613 CA HIS A 41 7.461 0.775 -9.431 1.00 44.04 C ATOM 614 C HIS A 41 6.584 1.525 -8.434 1.00 33.01 C ATOM 615 O HIS A 41 6.838 2.688 -8.120 1.00 55.10 O ATOM 616 CB HIS A 41 8.421 -0.154 -8.687 1.00 13.13 C ATOM 617 CG HIS A 41 9.605 0.552 -8.102 1.00 11.24 C ATOM 618 ND1 HIS A 41 9.757 1.832 -7.687 1.00 32.53 N flip ATOM 619 CD2 HIS A 41 10.819 -0.065 -7.887 1.00 71.24 C flip ATOM 620 CE1 HIS A 41 11.046 1.962 -7.233 1.00 12.11 C flip ATOM 621 NE2 HIS A 41 11.666 0.803 -7.364 1.00 42.32 N flip ATOM 0 H HIS A 41 8.792 2.364 -9.754 1.00 61.31 H new ATOM 0 HA HIS A 41 6.817 0.178 -10.077 1.00 44.04 H new ATOM 0 HB2 HIS A 41 7.878 -0.659 -7.888 1.00 13.13 H new ATOM 0 HB3 HIS A 41 8.771 -0.926 -9.372 1.00 13.13 H new ATOM 0 HD1 HIS A 41 9.046 2.563 -7.708 1.00 32.53 H new ATOM 0 HD2 HIS A 41 11.043 -1.098 -8.111 1.00 71.24 H new ATOM 0 HE1 HIS A 41 11.482 2.865 -6.833 1.00 12.11 H new ATOM 629 N PHE A 42 5.550 0.852 -7.940 1.00 30.23 N ATOM 630 CA PHE A 42 4.634 1.455 -6.979 1.00 55.11 C ATOM 631 C PHE A 42 4.851 0.878 -5.583 1.00 71.25 C ATOM 632 O PHE A 42 4.967 -0.336 -5.414 1.00 54.43 O ATOM 633 CB PHE A 42 3.184 1.232 -7.416 1.00 21.05 C ATOM 634 CG PHE A 42 2.713 2.211 -8.452 1.00 54.41 C ATOM 635 CD1 PHE A 42 3.528 2.559 -9.517 1.00 55.12 C ATOM 636 CD2 PHE A 42 1.455 2.785 -8.361 1.00 35.12 C ATOM 637 CE1 PHE A 42 3.097 3.460 -10.473 1.00 74.21 C ATOM 638 CE2 PHE A 42 1.018 3.686 -9.314 1.00 21.33 C ATOM 639 CZ PHE A 42 1.840 4.025 -10.370 1.00 65.44 C ATOM 0 H PHE A 42 5.326 -0.111 -8.189 1.00 30.23 H new ATOM 0 HA PHE A 42 4.836 2.526 -6.945 1.00 55.11 H new ATOM 0 HB2 PHE A 42 3.083 0.221 -7.811 1.00 21.05 H new ATOM 0 HB3 PHE A 42 2.535 1.299 -6.543 1.00 21.05 H new ATOM 0 HD1 PHE A 42 4.512 2.121 -9.601 1.00 55.12 H new ATOM 0 HD2 PHE A 42 0.808 2.525 -7.536 1.00 35.12 H new ATOM 0 HE1 PHE A 42 3.742 3.722 -11.299 1.00 74.21 H new ATOM 0 HE2 PHE A 42 0.034 4.124 -9.232 1.00 21.33 H new ATOM 0 HZ PHE A 42 1.501 4.730 -11.114 1.00 65.44 H new ATOM 649 N GLN A 43 4.906 1.757 -4.588 1.00 72.20 N ATOM 650 CA GLN A 43 5.110 1.335 -3.207 1.00 64.24 C ATOM 651 C GLN A 43 4.347 2.237 -2.244 1.00 3.35 C ATOM 652 O GLN A 43 4.227 3.441 -2.468 1.00 34.10 O ATOM 653 CB GLN A 43 6.601 1.347 -2.864 1.00 30.51 C ATOM 654 CG GLN A 43 7.141 -0.014 -2.453 1.00 2.44 C ATOM 655 CD GLN A 43 8.627 -0.157 -2.720 1.00 55.20 C ATOM 656 OE1 GLN A 43 9.038 0.136 -3.948 1.00 20.44 O flip ATOM 657 NE2 GLN A 43 9.396 -0.526 -1.833 1.00 61.32 N flip ATOM 0 H GLN A 43 4.812 2.765 -4.712 1.00 72.20 H new ATOM 0 HA GLN A 43 4.728 0.319 -3.103 1.00 64.24 H new ATOM 0 HB2 GLN A 43 7.161 1.705 -3.728 1.00 30.51 H new ATOM 0 HB3 GLN A 43 6.774 2.057 -2.055 1.00 30.51 H new ATOM 0 HG2 GLN A 43 6.950 -0.171 -1.392 1.00 2.44 H new ATOM 0 HG3 GLN A 43 6.602 -0.793 -2.993 1.00 2.44 H new ATOM 0 HE21 GLN A 43 9.036 -0.741 -0.903 1.00 61.32 H new ATOM 0 HE22 GLN A 43 10.393 -0.617 -2.028 1.00 61.32 H new ATOM 666 N GLY A 44 3.833 1.647 -1.169 1.00 30.12 N ATOM 667 CA GLY A 44 3.087 2.413 -0.187 1.00 63.52 C ATOM 668 C GLY A 44 2.409 1.531 0.843 1.00 64.23 C ATOM 669 O GLY A 44 2.718 0.344 0.954 1.00 43.10 O ATOM 0 H GLY A 44 3.920 0.652 -0.961 1.00 30.12 H new ATOM 0 HA2 GLY A 44 3.761 3.104 0.319 1.00 63.52 H new ATOM 0 HA3 GLY A 44 2.335 3.016 -0.696 1.00 63.52 H new ATOM 673 N TYR A 45 1.484 2.111 1.599 1.00 43.21 N ATOM 674 CA TYR A 45 0.764 1.371 2.628 1.00 12.11 C ATOM 675 C TYR A 45 -0.743 1.446 2.399 1.00 63.31 C ATOM 676 O TYR A 45 -1.284 2.510 2.096 1.00 65.42 O ATOM 677 CB TYR A 45 1.108 1.918 4.014 1.00 12.34 C ATOM 678 CG TYR A 45 0.774 3.383 4.187 1.00 33.34 C ATOM 679 CD1 TYR A 45 -0.498 3.784 4.578 1.00 30.32 C ATOM 680 CD2 TYR A 45 1.729 4.365 3.959 1.00 1.32 C ATOM 681 CE1 TYR A 45 -0.808 5.121 4.737 1.00 72.41 C ATOM 682 CE2 TYR A 45 1.428 5.704 4.117 1.00 43.31 C ATOM 683 CZ TYR A 45 0.158 6.077 4.506 1.00 64.04 C ATOM 684 OH TYR A 45 -0.146 7.410 4.662 1.00 24.23 O ATOM 0 H TYR A 45 1.215 3.092 1.519 1.00 43.21 H new ATOM 0 HA TYR A 45 1.071 0.327 2.570 1.00 12.11 H new ATOM 0 HB2 TYR A 45 0.572 1.340 4.767 1.00 12.34 H new ATOM 0 HB3 TYR A 45 2.172 1.772 4.199 1.00 12.34 H new ATOM 0 HD1 TYR A 45 -1.257 3.038 4.761 1.00 30.32 H new ATOM 0 HD2 TYR A 45 2.724 4.077 3.653 1.00 1.32 H new ATOM 0 HE1 TYR A 45 -1.802 5.416 5.041 1.00 72.41 H new ATOM 0 HE2 TYR A 45 2.183 6.455 3.937 1.00 43.31 H new ATOM 0 HH TYR A 45 0.646 7.952 4.461 1.00 24.23 H new ATOM 694 N ILE A 46 -1.414 0.309 2.547 1.00 61.42 N ATOM 695 CA ILE A 46 -2.858 0.244 2.358 1.00 2.41 C ATOM 696 C ILE A 46 -3.540 -0.409 3.555 1.00 31.11 C ATOM 697 O ILE A 46 -3.172 -1.508 3.967 1.00 20.53 O ATOM 698 CB ILE A 46 -3.225 -0.537 1.083 1.00 63.13 C ATOM 699 CG1 ILE A 46 -2.445 0.006 -0.116 1.00 42.15 C ATOM 700 CG2 ILE A 46 -4.722 -0.460 0.827 1.00 53.45 C ATOM 701 CD1 ILE A 46 -2.668 -0.781 -1.389 1.00 23.01 C ATOM 0 H ILE A 46 -0.981 -0.580 2.797 1.00 61.42 H new ATOM 0 HA ILE A 46 -3.209 1.271 2.258 1.00 2.41 H new ATOM 0 HB ILE A 46 -2.954 -1.583 1.225 1.00 63.13 H new ATOM 0 HG12 ILE A 46 -2.731 1.044 -0.285 1.00 42.15 H new ATOM 0 HG13 ILE A 46 -1.381 0.003 0.122 1.00 42.15 H new ATOM 0 HG21 ILE A 46 -4.966 -1.017 -0.078 1.00 53.45 H new ATOM 0 HG22 ILE A 46 -5.258 -0.890 1.673 1.00 53.45 H new ATOM 0 HG23 ILE A 46 -5.017 0.582 0.702 1.00 53.45 H new ATOM 0 HD11 ILE A 46 -2.084 -0.339 -2.197 1.00 23.01 H new ATOM 0 HD12 ILE A 46 -2.355 -1.814 -1.238 1.00 23.01 H new ATOM 0 HD13 ILE A 46 -3.726 -0.757 -1.651 1.00 23.01 H new ATOM 713 N GLU A 47 -4.537 0.275 4.107 1.00 13.13 N ATOM 714 CA GLU A 47 -5.272 -0.240 5.257 1.00 61.34 C ATOM 715 C GLU A 47 -6.617 -0.820 4.827 1.00 24.14 C ATOM 716 O GLU A 47 -7.455 -0.118 4.262 1.00 22.41 O ATOM 717 CB GLU A 47 -5.488 0.867 6.290 1.00 11.21 C ATOM 718 CG GLU A 47 -4.200 1.528 6.752 1.00 54.50 C ATOM 719 CD GLU A 47 -4.390 2.991 7.106 1.00 20.31 C ATOM 720 OE1 GLU A 47 -5.222 3.285 7.989 1.00 33.22 O ATOM 721 OE2 GLU A 47 -3.705 3.841 6.500 1.00 71.15 O ATOM 0 H GLU A 47 -4.854 1.186 3.777 1.00 13.13 H new ATOM 0 HA GLU A 47 -4.680 -1.036 5.708 1.00 61.34 H new ATOM 0 HB2 GLU A 47 -6.144 1.626 5.864 1.00 11.21 H new ATOM 0 HB3 GLU A 47 -6.003 0.450 7.155 1.00 11.21 H new ATOM 0 HG2 GLU A 47 -3.814 0.995 7.621 1.00 54.50 H new ATOM 0 HG3 GLU A 47 -3.450 1.443 5.966 1.00 54.50 H new ATOM 728 N MET A 48 -6.814 -2.106 5.100 1.00 10.20 N ATOM 729 CA MET A 48 -8.057 -2.780 4.743 1.00 63.22 C ATOM 730 C MET A 48 -9.150 -2.482 5.764 1.00 51.13 C ATOM 731 O MET A 48 -8.933 -1.741 6.723 1.00 70.11 O ATOM 732 CB MET A 48 -7.832 -4.290 4.645 1.00 74.41 C ATOM 733 CG MET A 48 -7.049 -4.710 3.411 1.00 13.34 C ATOM 734 SD MET A 48 -8.073 -5.558 2.193 1.00 15.54 S ATOM 735 CE MET A 48 -8.638 -4.175 1.204 1.00 24.02 C ATOM 0 H MET A 48 -6.130 -2.701 5.567 1.00 10.20 H new ATOM 0 HA MET A 48 -8.380 -2.404 3.772 1.00 63.22 H new ATOM 0 HB2 MET A 48 -7.301 -4.628 5.535 1.00 74.41 H new ATOM 0 HB3 MET A 48 -8.799 -4.793 4.640 1.00 74.41 H new ATOM 0 HG2 MET A 48 -6.601 -3.828 2.952 1.00 13.34 H new ATOM 0 HG3 MET A 48 -6.230 -5.364 3.710 1.00 13.34 H new ATOM 0 HE1 MET A 48 -8.584 -4.437 0.147 1.00 24.02 H new ATOM 0 HE2 MET A 48 -9.669 -3.937 1.467 1.00 24.02 H new ATOM 0 HE3 MET A 48 -8.005 -3.308 1.395 1.00 24.02 H new ATOM 745 N LYS A 49 -10.326 -3.063 5.551 1.00 20.05 N ATOM 746 CA LYS A 49 -11.454 -2.861 6.453 1.00 3.23 C ATOM 747 C LYS A 49 -11.053 -3.143 7.898 1.00 42.33 C ATOM 748 O LYS A 49 -11.167 -2.277 8.765 1.00 14.42 O ATOM 749 CB LYS A 49 -12.622 -3.764 6.052 1.00 55.52 C ATOM 750 CG LYS A 49 -13.965 -3.053 6.042 1.00 3.34 C ATOM 751 CD LYS A 49 -14.970 -3.772 5.159 1.00 52.55 C ATOM 752 CE LYS A 49 -15.956 -2.798 4.531 1.00 73.53 C ATOM 753 NZ LYS A 49 -17.047 -2.428 5.474 1.00 10.14 N ATOM 0 H LYS A 49 -10.523 -3.678 4.761 1.00 20.05 H new ATOM 0 HA LYS A 49 -11.765 -1.819 6.377 1.00 3.23 H new ATOM 0 HB2 LYS A 49 -12.430 -4.174 5.060 1.00 55.52 H new ATOM 0 HB3 LYS A 49 -12.672 -4.607 6.741 1.00 55.52 H new ATOM 0 HG2 LYS A 49 -14.352 -2.991 7.059 1.00 3.34 H new ATOM 0 HG3 LYS A 49 -13.834 -2.031 5.687 1.00 3.34 H new ATOM 0 HD2 LYS A 49 -14.444 -4.315 4.374 1.00 52.55 H new ATOM 0 HD3 LYS A 49 -15.512 -4.511 5.749 1.00 52.55 H new ATOM 0 HE2 LYS A 49 -15.427 -1.898 4.216 1.00 73.53 H new ATOM 0 HE3 LYS A 49 -16.387 -3.244 3.635 1.00 73.53 H new ATOM 0 HZ1 LYS A 49 -17.698 -1.763 5.009 1.00 10.14 H new ATOM 0 HZ2 LYS A 49 -17.568 -3.283 5.755 1.00 10.14 H new ATOM 0 HZ3 LYS A 49 -16.639 -1.979 6.318 1.00 10.14 H new ATOM 767 N LYS A 50 -10.581 -4.359 8.149 1.00 3.13 N ATOM 768 CA LYS A 50 -10.159 -4.755 9.488 1.00 55.02 C ATOM 769 C LYS A 50 -9.700 -6.209 9.506 1.00 62.34 C ATOM 770 O LYS A 50 -8.503 -6.491 9.575 1.00 74.01 O ATOM 771 CB LYS A 50 -11.304 -4.559 10.484 1.00 15.20 C ATOM 772 CG LYS A 50 -11.052 -3.450 11.491 1.00 44.24 C ATOM 773 CD LYS A 50 -12.331 -3.038 12.200 1.00 23.42 C ATOM 774 CE LYS A 50 -12.568 -3.873 13.450 1.00 41.52 C ATOM 775 NZ LYS A 50 -12.899 -3.024 14.628 1.00 35.51 N ATOM 0 H LYS A 50 -10.481 -5.088 7.443 1.00 3.13 H new ATOM 0 HA LYS A 50 -9.319 -4.124 9.779 1.00 55.02 H new ATOM 0 HB2 LYS A 50 -12.219 -4.338 9.934 1.00 15.20 H new ATOM 0 HB3 LYS A 50 -11.472 -5.493 11.020 1.00 15.20 H new ATOM 0 HG2 LYS A 50 -10.319 -3.784 12.226 1.00 44.24 H new ATOM 0 HG3 LYS A 50 -10.623 -2.587 10.983 1.00 44.24 H new ATOM 0 HD2 LYS A 50 -12.275 -1.984 12.470 1.00 23.42 H new ATOM 0 HD3 LYS A 50 -13.177 -3.149 11.521 1.00 23.42 H new ATOM 0 HE2 LYS A 50 -13.381 -4.576 13.269 1.00 41.52 H new ATOM 0 HE3 LYS A 50 -11.678 -4.464 13.666 1.00 41.52 H new ATOM 0 HZ1 LYS A 50 -13.053 -3.629 15.460 1.00 35.51 H new ATOM 0 HZ2 LYS A 50 -12.112 -2.370 14.817 1.00 35.51 H new ATOM 0 HZ3 LYS A 50 -13.763 -2.479 14.431 1.00 35.51 H new ATOM 789 N ARG A 51 -10.657 -7.129 9.441 1.00 13.41 N ATOM 790 CA ARG A 51 -10.350 -8.554 9.449 1.00 10.25 C ATOM 791 C ARG A 51 -10.172 -9.080 8.028 1.00 12.03 C ATOM 792 O ARG A 51 -10.691 -10.140 7.677 1.00 55.11 O ATOM 793 CB ARG A 51 -11.460 -9.332 10.158 1.00 70.41 C ATOM 794 CG ARG A 51 -12.859 -8.947 9.704 1.00 22.54 C ATOM 795 CD ARG A 51 -13.887 -9.984 10.129 1.00 60.55 C ATOM 796 NE ARG A 51 -15.209 -9.703 9.574 1.00 24.34 N ATOM 797 CZ ARG A 51 -16.331 -10.238 10.043 1.00 62.14 C ATOM 798 NH1 ARG A 51 -16.292 -11.077 11.068 1.00 25.33 N ATOM 799 NH2 ARG A 51 -17.496 -9.933 9.485 1.00 64.10 N ATOM 0 H ARG A 51 -11.652 -6.913 9.382 1.00 13.41 H new ATOM 0 HA ARG A 51 -9.414 -8.696 9.990 1.00 10.25 H new ATOM 0 HB2 ARG A 51 -11.312 -10.398 9.986 1.00 70.41 H new ATOM 0 HB3 ARG A 51 -11.378 -9.168 11.232 1.00 70.41 H new ATOM 0 HG2 ARG A 51 -13.125 -7.977 10.123 1.00 22.54 H new ATOM 0 HG3 ARG A 51 -12.875 -8.841 8.619 1.00 22.54 H new ATOM 0 HD2 ARG A 51 -13.560 -10.972 9.805 1.00 60.55 H new ATOM 0 HD3 ARG A 51 -13.948 -10.009 11.217 1.00 60.55 H new ATOM 0 HE ARG A 51 -15.274 -9.061 8.784 1.00 24.34 H new ATOM 0 HH11 ARG A 51 -15.399 -11.314 11.499 1.00 25.33 H new ATOM 0 HH12 ARG A 51 -17.155 -11.486 11.426 1.00 25.33 H new ATOM 0 HH21 ARG A 51 -17.530 -9.288 8.696 1.00 64.10 H new ATOM 0 HH22 ARG A 51 -18.357 -10.344 9.845 1.00 64.10 H new ATOM 813 N THR A 52 -9.435 -8.332 7.213 1.00 2.45 N ATOM 814 CA THR A 52 -9.190 -8.721 5.831 1.00 42.14 C ATOM 815 C THR A 52 -7.773 -9.254 5.652 1.00 21.34 C ATOM 816 O THR A 52 -6.798 -8.528 5.842 1.00 45.34 O ATOM 817 CB THR A 52 -9.406 -7.538 4.867 1.00 21.54 C ATOM 818 OG1 THR A 52 -10.289 -6.579 5.460 1.00 63.23 O ATOM 819 CG2 THR A 52 -9.983 -8.017 3.544 1.00 73.21 C ATOM 0 H THR A 52 -8.997 -7.452 7.487 1.00 2.45 H new ATOM 0 HA THR A 52 -9.905 -9.509 5.594 1.00 42.14 H new ATOM 0 HB THR A 52 -8.440 -7.072 4.676 1.00 21.54 H new ATOM 0 HG1 THR A 52 -10.672 -6.010 4.760 1.00 63.23 H new ATOM 0 HG21 THR A 52 -10.127 -7.165 2.880 1.00 73.21 H new ATOM 0 HG22 THR A 52 -9.295 -8.725 3.082 1.00 73.21 H new ATOM 0 HG23 THR A 52 -10.941 -8.505 3.721 1.00 73.21 H new ATOM 827 N SER A 53 -7.667 -10.528 5.287 1.00 44.24 N ATOM 828 CA SER A 53 -6.368 -11.159 5.086 1.00 62.53 C ATOM 829 C SER A 53 -5.745 -10.714 3.766 1.00 11.52 C ATOM 830 O SER A 53 -6.331 -9.923 3.025 1.00 0.24 O ATOM 831 CB SER A 53 -6.509 -12.683 5.107 1.00 51.31 C ATOM 832 OG SER A 53 -7.730 -13.090 4.515 1.00 55.21 O ATOM 0 H SER A 53 -8.465 -11.143 5.125 1.00 44.24 H new ATOM 0 HA SER A 53 -5.712 -10.850 5.900 1.00 62.53 H new ATOM 0 HB2 SER A 53 -5.674 -13.136 4.573 1.00 51.31 H new ATOM 0 HB3 SER A 53 -6.462 -13.042 6.135 1.00 51.31 H new ATOM 0 HG SER A 53 -7.795 -14.068 4.539 1.00 55.21 H new ATOM 838 N LEU A 54 -4.554 -11.226 3.479 1.00 63.04 N ATOM 839 CA LEU A 54 -3.849 -10.882 2.248 1.00 14.34 C ATOM 840 C LEU A 54 -4.743 -11.096 1.031 1.00 30.10 C ATOM 841 O LEU A 54 -4.604 -10.411 0.018 1.00 21.12 O ATOM 842 CB LEU A 54 -2.576 -11.719 2.115 1.00 74.33 C ATOM 843 CG LEU A 54 -1.682 -11.395 0.917 1.00 33.04 C ATOM 844 CD1 LEU A 54 -1.375 -9.906 0.868 1.00 21.54 C ATOM 845 CD2 LEU A 54 -0.396 -12.205 0.978 1.00 63.54 C ATOM 0 H LEU A 54 -4.055 -11.881 4.081 1.00 63.04 H new ATOM 0 HA LEU A 54 -3.579 -9.827 2.296 1.00 14.34 H new ATOM 0 HB2 LEU A 54 -1.988 -11.597 3.025 1.00 74.33 H new ATOM 0 HB3 LEU A 54 -2.860 -12.770 2.057 1.00 74.33 H new ATOM 0 HG LEU A 54 -2.215 -11.665 0.006 1.00 33.04 H new ATOM 0 HD11 LEU A 54 -0.738 -9.694 0.009 1.00 21.54 H new ATOM 0 HD12 LEU A 54 -2.305 -9.345 0.777 1.00 21.54 H new ATOM 0 HD13 LEU A 54 -0.861 -9.610 1.783 1.00 21.54 H new ATOM 0 HD21 LEU A 54 0.228 -11.962 0.118 1.00 63.54 H new ATOM 0 HD22 LEU A 54 0.141 -11.966 1.896 1.00 63.54 H new ATOM 0 HD23 LEU A 54 -0.635 -13.268 0.964 1.00 63.54 H new ATOM 857 N ALA A 55 -5.662 -12.050 1.139 1.00 61.23 N ATOM 858 CA ALA A 55 -6.581 -12.352 0.049 1.00 53.15 C ATOM 859 C ALA A 55 -7.327 -11.101 -0.403 1.00 44.43 C ATOM 860 O ALA A 55 -7.689 -10.970 -1.572 1.00 4.23 O ATOM 861 CB ALA A 55 -7.566 -13.431 0.472 1.00 34.23 C ATOM 0 H ALA A 55 -5.790 -12.627 1.970 1.00 61.23 H new ATOM 0 HA ALA A 55 -5.996 -12.720 -0.794 1.00 53.15 H new ATOM 0 HB1 ALA A 55 -8.246 -13.646 -0.352 1.00 34.23 H new ATOM 0 HB2 ALA A 55 -7.021 -14.337 0.739 1.00 34.23 H new ATOM 0 HB3 ALA A 55 -8.138 -13.085 1.333 1.00 34.23 H new ATOM 867 N GLY A 56 -7.553 -10.182 0.531 1.00 35.44 N ATOM 868 CA GLY A 56 -8.256 -8.954 0.209 1.00 4.14 C ATOM 869 C GLY A 56 -7.421 -8.014 -0.637 1.00 42.15 C ATOM 870 O GLY A 56 -7.892 -7.495 -1.649 1.00 32.11 O ATOM 0 H GLY A 56 -7.262 -10.266 1.505 1.00 35.44 H new ATOM 0 HA2 GLY A 56 -9.177 -9.195 -0.322 1.00 4.14 H new ATOM 0 HA3 GLY A 56 -8.542 -8.450 1.132 1.00 4.14 H new ATOM 874 N MET A 57 -6.178 -7.793 -0.223 1.00 4.32 N ATOM 875 CA MET A 57 -5.276 -6.908 -0.951 1.00 4.10 C ATOM 876 C MET A 57 -4.792 -7.565 -2.240 1.00 30.44 C ATOM 877 O MET A 57 -4.834 -6.961 -3.311 1.00 53.42 O ATOM 878 CB MET A 57 -4.078 -6.533 -0.076 1.00 13.53 C ATOM 879 CG MET A 57 -4.469 -5.890 1.245 1.00 0.32 C ATOM 880 SD MET A 57 -4.392 -4.089 1.191 1.00 21.10 S ATOM 881 CE MET A 57 -5.693 -3.730 0.014 1.00 41.15 C ATOM 0 H MET A 57 -5.772 -8.214 0.613 1.00 4.32 H new ATOM 0 HA MET A 57 -5.826 -6.003 -1.209 1.00 4.10 H new ATOM 0 HB2 MET A 57 -3.491 -7.429 0.125 1.00 13.53 H new ATOM 0 HB3 MET A 57 -3.435 -5.848 -0.628 1.00 13.53 H new ATOM 0 HG2 MET A 57 -5.480 -6.199 1.510 1.00 0.32 H new ATOM 0 HG3 MET A 57 -3.808 -6.255 2.032 1.00 0.32 H new ATOM 0 HE1 MET A 57 -6.217 -2.823 0.316 1.00 41.15 H new ATOM 0 HE2 MET A 57 -5.259 -3.586 -0.975 1.00 41.15 H new ATOM 0 HE3 MET A 57 -6.397 -4.562 -0.016 1.00 41.15 H new ATOM 891 N LYS A 58 -4.332 -8.807 -2.129 1.00 33.03 N ATOM 892 CA LYS A 58 -3.841 -9.548 -3.285 1.00 11.34 C ATOM 893 C LYS A 58 -4.885 -9.576 -4.396 1.00 40.35 C ATOM 894 O LYS A 58 -4.548 -9.676 -5.576 1.00 41.34 O ATOM 895 CB LYS A 58 -3.472 -10.977 -2.881 1.00 71.00 C ATOM 896 CG LYS A 58 -2.630 -11.703 -3.916 1.00 3.13 C ATOM 897 CD LYS A 58 -2.432 -13.164 -3.549 1.00 32.15 C ATOM 898 CE LYS A 58 -1.750 -13.312 -2.197 1.00 14.20 C ATOM 899 NZ LYS A 58 -0.520 -12.478 -2.102 1.00 60.44 N ATOM 0 H LYS A 58 -4.289 -9.322 -1.249 1.00 33.03 H new ATOM 0 HA LYS A 58 -2.951 -9.042 -3.659 1.00 11.34 H new ATOM 0 HB2 LYS A 58 -2.928 -10.950 -1.937 1.00 71.00 H new ATOM 0 HB3 LYS A 58 -4.386 -11.544 -2.706 1.00 71.00 H new ATOM 0 HG2 LYS A 58 -3.112 -11.634 -4.891 1.00 3.13 H new ATOM 0 HG3 LYS A 58 -1.660 -11.214 -4.004 1.00 3.13 H new ATOM 0 HD2 LYS A 58 -3.398 -13.669 -3.528 1.00 32.15 H new ATOM 0 HD3 LYS A 58 -1.833 -13.655 -4.316 1.00 32.15 H new ATOM 0 HE2 LYS A 58 -2.444 -13.026 -1.407 1.00 14.20 H new ATOM 0 HE3 LYS A 58 -1.493 -14.358 -2.033 1.00 14.20 H new ATOM 0 HZ1 LYS A 58 0.194 -12.976 -1.532 1.00 60.44 H new ATOM 0 HZ2 LYS A 58 -0.143 -12.306 -3.056 1.00 60.44 H new ATOM 0 HZ3 LYS A 58 -0.751 -11.569 -1.651 1.00 60.44 H new ATOM 913 N LYS A 59 -6.154 -9.485 -4.013 1.00 21.21 N ATOM 914 CA LYS A 59 -7.248 -9.497 -4.977 1.00 22.21 C ATOM 915 C LYS A 59 -7.167 -8.291 -5.907 1.00 2.33 C ATOM 916 O LYS A 59 -7.546 -8.369 -7.076 1.00 13.40 O ATOM 917 CB LYS A 59 -8.595 -9.505 -4.251 1.00 22.14 C ATOM 918 CG LYS A 59 -9.332 -10.830 -4.350 1.00 43.53 C ATOM 919 CD LYS A 59 -10.666 -10.781 -3.624 1.00 63.43 C ATOM 920 CE LYS A 59 -11.367 -12.131 -3.657 1.00 51.42 C ATOM 921 NZ LYS A 59 -12.840 -11.994 -3.485 1.00 71.43 N ATOM 0 H LYS A 59 -6.451 -9.402 -3.041 1.00 21.21 H new ATOM 0 HA LYS A 59 -7.160 -10.403 -5.577 1.00 22.21 H new ATOM 0 HB2 LYS A 59 -8.433 -9.267 -3.200 1.00 22.14 H new ATOM 0 HB3 LYS A 59 -9.225 -8.717 -4.663 1.00 22.14 H new ATOM 0 HG2 LYS A 59 -9.496 -11.079 -5.398 1.00 43.53 H new ATOM 0 HG3 LYS A 59 -8.715 -11.623 -3.927 1.00 43.53 H new ATOM 0 HD2 LYS A 59 -10.508 -10.477 -2.589 1.00 63.43 H new ATOM 0 HD3 LYS A 59 -11.304 -10.027 -4.084 1.00 63.43 H new ATOM 0 HE2 LYS A 59 -11.156 -12.627 -4.605 1.00 51.42 H new ATOM 0 HE3 LYS A 59 -10.967 -12.768 -2.868 1.00 51.42 H new ATOM 0 HZ1 LYS A 59 -13.282 -12.935 -3.513 1.00 71.43 H new ATOM 0 HZ2 LYS A 59 -13.042 -11.544 -2.570 1.00 71.43 H new ATOM 0 HZ3 LYS A 59 -13.226 -11.407 -4.252 1.00 71.43 H new ATOM 935 N LEU A 60 -6.669 -7.177 -5.381 1.00 50.10 N ATOM 936 CA LEU A 60 -6.537 -5.954 -6.165 1.00 4.31 C ATOM 937 C LEU A 60 -5.273 -5.988 -7.018 1.00 42.12 C ATOM 938 O LEU A 60 -5.274 -5.537 -8.164 1.00 65.01 O ATOM 939 CB LEU A 60 -6.510 -4.734 -5.242 1.00 41.23 C ATOM 940 CG LEU A 60 -7.848 -4.335 -4.618 1.00 44.11 C ATOM 941 CD1 LEU A 60 -8.173 -5.233 -3.435 1.00 12.24 C ATOM 942 CD2 LEU A 60 -7.823 -2.875 -4.191 1.00 5.40 C ATOM 0 H LEU A 60 -6.350 -7.096 -4.416 1.00 50.10 H new ATOM 0 HA LEU A 60 -7.399 -5.882 -6.828 1.00 4.31 H new ATOM 0 HB2 LEU A 60 -5.800 -4.927 -4.438 1.00 41.23 H new ATOM 0 HB3 LEU A 60 -6.128 -3.884 -5.807 1.00 41.23 H new ATOM 0 HG LEU A 60 -8.629 -4.460 -5.368 1.00 44.11 H new ATOM 0 HD11 LEU A 60 -9.128 -4.935 -3.003 1.00 12.24 H new ATOM 0 HD12 LEU A 60 -8.234 -6.268 -3.770 1.00 12.24 H new ATOM 0 HD13 LEU A 60 -7.390 -5.141 -2.682 1.00 12.24 H new ATOM 0 HD21 LEU A 60 -8.783 -2.609 -3.749 1.00 5.40 H new ATOM 0 HD22 LEU A 60 -7.031 -2.724 -3.457 1.00 5.40 H new ATOM 0 HD23 LEU A 60 -7.636 -2.245 -5.061 1.00 5.40 H new ATOM 954 N ILE A 61 -4.198 -6.527 -6.453 1.00 1.01 N ATOM 955 CA ILE A 61 -2.929 -6.623 -7.163 1.00 42.13 C ATOM 956 C ILE A 61 -2.209 -7.925 -6.829 1.00 61.14 C ATOM 957 O ILE A 61 -1.260 -7.955 -6.046 1.00 24.40 O ATOM 958 CB ILE A 61 -2.004 -5.438 -6.827 1.00 55.31 C ATOM 959 CG1 ILE A 61 -2.712 -4.113 -7.118 1.00 41.40 C ATOM 960 CG2 ILE A 61 -0.708 -5.537 -7.617 1.00 2.33 C ATOM 961 CD1 ILE A 61 -3.506 -3.581 -5.945 1.00 61.33 C ATOM 0 H ILE A 61 -4.181 -6.904 -5.505 1.00 1.01 H new ATOM 0 HA ILE A 61 -3.162 -6.601 -8.228 1.00 42.13 H new ATOM 0 HB ILE A 61 -1.762 -5.474 -5.765 1.00 55.31 H new ATOM 0 HG12 ILE A 61 -1.970 -3.370 -7.410 1.00 41.40 H new ATOM 0 HG13 ILE A 61 -3.381 -4.247 -7.968 1.00 41.40 H new ATOM 0 HG21 ILE A 61 -0.065 -4.693 -7.369 1.00 2.33 H new ATOM 0 HG22 ILE A 61 -0.199 -6.467 -7.365 1.00 2.33 H new ATOM 0 HG23 ILE A 61 -0.930 -5.522 -8.684 1.00 2.33 H new ATOM 0 HD11 ILE A 61 -3.980 -2.640 -6.224 1.00 61.33 H new ATOM 0 HD12 ILE A 61 -4.272 -4.305 -5.666 1.00 61.33 H new ATOM 0 HD13 ILE A 61 -2.839 -3.415 -5.099 1.00 61.33 H new ATOM 973 N PRO A 62 -2.669 -9.028 -7.438 1.00 64.24 N ATOM 974 CA PRO A 62 -2.082 -10.354 -7.223 1.00 64.13 C ATOM 975 C PRO A 62 -0.690 -10.478 -7.834 1.00 60.02 C ATOM 976 O PRO A 62 -0.003 -11.480 -7.639 1.00 42.34 O ATOM 977 CB PRO A 62 -3.061 -11.295 -7.930 1.00 13.45 C ATOM 978 CG PRO A 62 -3.716 -10.450 -8.967 1.00 51.22 C ATOM 979 CD PRO A 62 -3.796 -9.066 -8.384 1.00 55.14 C ATOM 0 HA PRO A 62 -1.948 -10.573 -6.164 1.00 64.13 H new ATOM 0 HB2 PRO A 62 -2.542 -12.142 -8.379 1.00 13.45 H new ATOM 0 HB3 PRO A 62 -3.792 -11.703 -7.232 1.00 13.45 H new ATOM 0 HG2 PRO A 62 -3.140 -10.451 -9.892 1.00 51.22 H new ATOM 0 HG3 PRO A 62 -4.709 -10.829 -9.209 1.00 51.22 H new ATOM 0 HD2 PRO A 62 -3.701 -8.300 -9.153 1.00 55.14 H new ATOM 0 HD3 PRO A 62 -4.748 -8.896 -7.881 1.00 55.14 H new ATOM 987 N GLY A 63 -0.280 -9.452 -8.574 1.00 61.34 N ATOM 988 CA GLY A 63 1.028 -9.467 -9.202 1.00 44.22 C ATOM 989 C GLY A 63 2.018 -8.557 -8.501 1.00 71.14 C ATOM 990 O GLY A 63 2.817 -7.882 -9.149 1.00 41.03 O ATOM 0 H GLY A 63 -0.830 -8.611 -8.750 1.00 61.34 H new ATOM 0 HA2 GLY A 63 1.415 -10.486 -9.205 1.00 44.22 H new ATOM 0 HA3 GLY A 63 0.931 -9.160 -10.243 1.00 44.22 H new ATOM 994 N ALA A 64 1.964 -8.538 -7.174 1.00 13.33 N ATOM 995 CA ALA A 64 2.862 -7.705 -6.385 1.00 5.54 C ATOM 996 C ALA A 64 3.238 -8.390 -5.075 1.00 42.41 C ATOM 997 O ALA A 64 2.593 -9.353 -4.659 1.00 42.32 O ATOM 998 CB ALA A 64 2.223 -6.351 -6.110 1.00 61.41 C ATOM 0 H ALA A 64 1.307 -9.090 -6.622 1.00 13.33 H new ATOM 0 HA ALA A 64 3.775 -7.553 -6.961 1.00 5.54 H new ATOM 0 HB1 ALA A 64 2.906 -5.740 -5.520 1.00 61.41 H new ATOM 0 HB2 ALA A 64 2.012 -5.850 -7.055 1.00 61.41 H new ATOM 0 HB3 ALA A 64 1.294 -6.493 -5.559 1.00 61.41 H new ATOM 1004 N HIS A 65 4.286 -7.888 -4.429 1.00 50.52 N ATOM 1005 CA HIS A 65 4.748 -8.452 -3.166 1.00 14.11 C ATOM 1006 C HIS A 65 4.137 -7.707 -1.983 1.00 4.53 C ATOM 1007 O HIS A 65 4.330 -6.500 -1.829 1.00 63.25 O ATOM 1008 CB HIS A 65 6.273 -8.397 -3.086 1.00 25.31 C ATOM 1009 CG HIS A 65 6.856 -9.360 -2.098 1.00 3.15 C ATOM 1010 ND1 HIS A 65 7.586 -8.960 -0.998 1.00 63.02 N ATOM 1011 CD2 HIS A 65 6.812 -10.712 -2.046 1.00 50.34 C ATOM 1012 CE1 HIS A 65 7.967 -10.024 -0.315 1.00 22.34 C ATOM 1013 NE2 HIS A 65 7.510 -11.100 -0.929 1.00 72.14 N ATOM 0 H HIS A 65 4.831 -7.092 -4.760 1.00 50.52 H new ATOM 0 HA HIS A 65 4.427 -9.493 -3.122 1.00 14.11 H new ATOM 0 HB2 HIS A 65 6.688 -8.605 -4.072 1.00 25.31 H new ATOM 0 HB3 HIS A 65 6.578 -7.385 -2.819 1.00 25.31 H new ATOM 0 HD2 HIS A 65 6.319 -11.364 -2.752 1.00 50.34 H new ATOM 0 HE1 HIS A 65 8.553 -10.016 0.592 1.00 22.34 H new ATOM 0 HE2 HIS A 65 7.652 -12.063 -0.623 1.00 72.14 H new ATOM 1021 N PHE A 66 3.400 -8.432 -1.149 1.00 31.40 N ATOM 1022 CA PHE A 66 2.760 -7.840 0.020 1.00 52.45 C ATOM 1023 C PHE A 66 3.406 -8.342 1.307 1.00 30.22 C ATOM 1024 O PHE A 66 4.047 -9.392 1.323 1.00 62.24 O ATOM 1025 CB PHE A 66 1.264 -8.162 0.027 1.00 61.14 C ATOM 1026 CG PHE A 66 0.417 -7.092 -0.600 1.00 41.32 C ATOM 1027 CD1 PHE A 66 0.314 -6.989 -1.978 1.00 62.31 C ATOM 1028 CD2 PHE A 66 -0.276 -6.187 0.189 1.00 63.54 C ATOM 1029 CE1 PHE A 66 -0.465 -6.006 -2.558 1.00 43.32 C ATOM 1030 CE2 PHE A 66 -1.056 -5.202 -0.386 1.00 34.23 C ATOM 1031 CZ PHE A 66 -1.150 -5.110 -1.761 1.00 20.33 C ATOM 0 H PHE A 66 3.231 -9.432 -1.261 1.00 31.40 H new ATOM 0 HA PHE A 66 2.892 -6.759 -0.034 1.00 52.45 H new ATOM 0 HB2 PHE A 66 1.100 -9.101 -0.503 1.00 61.14 H new ATOM 0 HB3 PHE A 66 0.938 -8.315 1.056 1.00 61.14 H new ATOM 0 HD1 PHE A 66 0.849 -7.686 -2.606 1.00 62.31 H new ATOM 0 HD2 PHE A 66 -0.205 -6.253 1.265 1.00 63.54 H new ATOM 0 HE1 PHE A 66 -0.538 -5.938 -3.633 1.00 43.32 H new ATOM 0 HE2 PHE A 66 -1.592 -4.504 0.240 1.00 34.23 H new ATOM 0 HZ PHE A 66 -1.758 -4.339 -2.212 1.00 20.33 H new ATOM 1041 N GLU A 67 3.232 -7.583 2.385 1.00 70.51 N ATOM 1042 CA GLU A 67 3.799 -7.951 3.677 1.00 64.22 C ATOM 1043 C GLU A 67 2.942 -7.415 4.820 1.00 61.41 C ATOM 1044 O GLU A 67 2.879 -6.208 5.051 1.00 1.31 O ATOM 1045 CB GLU A 67 5.228 -7.417 3.802 1.00 13.12 C ATOM 1046 CG GLU A 67 6.293 -8.495 3.690 1.00 52.35 C ATOM 1047 CD GLU A 67 7.675 -7.989 4.053 1.00 44.21 C ATOM 1048 OE1 GLU A 67 7.931 -7.770 5.255 1.00 33.04 O ATOM 1049 OE2 GLU A 67 8.502 -7.812 3.134 1.00 62.03 O ATOM 0 H GLU A 67 2.704 -6.711 2.389 1.00 70.51 H new ATOM 0 HA GLU A 67 3.818 -9.039 3.740 1.00 64.22 H new ATOM 0 HB2 GLU A 67 5.397 -6.670 3.027 1.00 13.12 H new ATOM 0 HB3 GLU A 67 5.335 -6.911 4.761 1.00 13.12 H new ATOM 0 HG2 GLU A 67 6.032 -9.328 4.343 1.00 52.35 H new ATOM 0 HG3 GLU A 67 6.308 -8.882 2.671 1.00 52.35 H new ATOM 1056 N LYS A 68 2.283 -8.323 5.532 1.00 14.53 N ATOM 1057 CA LYS A 68 1.429 -7.944 6.652 1.00 11.11 C ATOM 1058 C LYS A 68 2.161 -8.121 7.979 1.00 71.34 C ATOM 1059 O LYS A 68 1.538 -8.187 9.038 1.00 14.12 O ATOM 1060 CB LYS A 68 0.147 -8.780 6.649 1.00 64.32 C ATOM 1061 CG LYS A 68 -0.976 -8.175 7.473 1.00 70.14 C ATOM 1062 CD LYS A 68 -1.973 -9.232 7.917 1.00 12.13 C ATOM 1063 CE LYS A 68 -1.578 -9.844 9.252 1.00 31.34 C ATOM 1064 NZ LYS A 68 -2.273 -11.138 9.496 1.00 32.53 N ATOM 0 H LYS A 68 2.324 -9.326 5.353 1.00 14.53 H new ATOM 0 HA LYS A 68 1.169 -6.892 6.538 1.00 11.11 H new ATOM 0 HB2 LYS A 68 -0.194 -8.903 5.621 1.00 64.32 H new ATOM 0 HB3 LYS A 68 0.372 -9.775 7.032 1.00 64.32 H new ATOM 0 HG2 LYS A 68 -0.559 -7.677 8.348 1.00 70.14 H new ATOM 0 HG3 LYS A 68 -1.489 -7.413 6.886 1.00 70.14 H new ATOM 0 HD2 LYS A 68 -2.965 -8.787 7.999 1.00 12.13 H new ATOM 0 HD3 LYS A 68 -2.036 -10.015 7.161 1.00 12.13 H new ATOM 0 HE2 LYS A 68 -0.500 -10.001 9.275 1.00 31.34 H new ATOM 0 HE3 LYS A 68 -1.816 -9.147 10.056 1.00 31.34 H new ATOM 0 HZ1 LYS A 68 -1.977 -11.523 10.416 1.00 32.53 H new ATOM 0 HZ2 LYS A 68 -3.302 -10.984 9.500 1.00 32.53 H new ATOM 0 HZ3 LYS A 68 -2.026 -11.812 8.743 1.00 32.53 H new ATOM 1078 N ARG A 69 3.486 -8.197 7.912 1.00 1.34 N ATOM 1079 CA ARG A 69 4.302 -8.366 9.109 1.00 44.05 C ATOM 1080 C ARG A 69 4.343 -7.078 9.926 1.00 42.14 C ATOM 1081 O ARG A 69 4.914 -7.041 11.016 1.00 54.31 O ATOM 1082 CB ARG A 69 5.723 -8.786 8.727 1.00 1.21 C ATOM 1083 CG ARG A 69 5.993 -10.269 8.922 1.00 52.03 C ATOM 1084 CD ARG A 69 7.436 -10.620 8.597 1.00 4.12 C ATOM 1085 NE ARG A 69 8.347 -10.241 9.674 1.00 21.32 N ATOM 1086 CZ ARG A 69 9.666 -10.382 9.605 1.00 22.30 C ATOM 1087 NH1 ARG A 69 10.226 -10.890 8.516 1.00 74.34 N ATOM 1088 NH2 ARG A 69 10.429 -10.014 10.627 1.00 75.41 N ATOM 0 H ARG A 69 4.017 -8.144 7.043 1.00 1.34 H new ATOM 0 HA ARG A 69 3.850 -9.148 9.719 1.00 44.05 H new ATOM 0 HB2 ARG A 69 5.901 -8.527 7.683 1.00 1.21 H new ATOM 0 HB3 ARG A 69 6.434 -8.214 9.323 1.00 1.21 H new ATOM 0 HG2 ARG A 69 5.773 -10.548 9.953 1.00 52.03 H new ATOM 0 HG3 ARG A 69 5.324 -10.848 8.285 1.00 52.03 H new ATOM 0 HD2 ARG A 69 7.516 -11.692 8.415 1.00 4.12 H new ATOM 0 HD3 ARG A 69 7.733 -10.117 7.677 1.00 4.12 H new ATOM 0 HE ARG A 69 7.948 -9.846 10.526 1.00 21.32 H new ATOM 0 HH11 ARG A 69 9.644 -11.174 7.728 1.00 74.34 H new ATOM 0 HH12 ARG A 69 11.239 -10.997 8.466 1.00 74.34 H new ATOM 0 HH21 ARG A 69 10.003 -9.622 11.467 1.00 75.41 H new ATOM 0 HH22 ARG A 69 11.442 -10.123 10.573 1.00 75.41 H new ATOM 1102 N ARG A 70 3.735 -6.024 9.390 1.00 21.34 N ATOM 1103 CA ARG A 70 3.704 -4.734 10.069 1.00 73.22 C ATOM 1104 C ARG A 70 5.097 -4.115 10.124 1.00 2.10 C ATOM 1105 O ARG A 70 5.514 -3.591 11.156 1.00 42.51 O ATOM 1106 CB ARG A 70 3.148 -4.892 11.485 1.00 33.22 C ATOM 1107 CG ARG A 70 1.934 -5.803 11.565 1.00 73.42 C ATOM 1108 CD ARG A 70 1.483 -6.006 13.003 1.00 72.22 C ATOM 1109 NE ARG A 70 2.214 -7.087 13.659 1.00 41.04 N ATOM 1110 CZ ARG A 70 1.815 -7.667 14.785 1.00 73.02 C ATOM 1111 NH1 ARG A 70 0.696 -7.272 15.377 1.00 21.31 N ATOM 1112 NH2 ARG A 70 2.535 -8.644 15.321 1.00 75.54 N ATOM 0 H ARG A 70 3.258 -6.038 8.489 1.00 21.34 H new ATOM 0 HA ARG A 70 3.052 -4.069 9.502 1.00 73.22 H new ATOM 0 HB2 ARG A 70 3.931 -5.287 12.132 1.00 33.22 H new ATOM 0 HB3 ARG A 70 2.880 -3.909 11.873 1.00 33.22 H new ATOM 0 HG2 ARG A 70 1.118 -5.375 10.984 1.00 73.42 H new ATOM 0 HG3 ARG A 70 2.172 -6.768 11.118 1.00 73.42 H new ATOM 0 HD2 ARG A 70 1.626 -5.081 13.562 1.00 72.22 H new ATOM 0 HD3 ARG A 70 0.416 -6.227 13.020 1.00 72.22 H new ATOM 0 HE ARG A 70 3.079 -7.415 13.228 1.00 41.04 H new ATOM 0 HH11 ARG A 70 0.140 -6.521 14.967 1.00 21.31 H new ATOM 0 HH12 ARG A 70 0.391 -7.719 16.242 1.00 21.31 H new ATOM 0 HH21 ARG A 70 3.396 -8.950 14.868 1.00 75.54 H new ATOM 0 HH22 ARG A 70 2.227 -9.089 16.186 1.00 75.54 H new ATOM 1126 N GLY A 71 5.813 -4.180 9.006 1.00 63.35 N ATOM 1127 CA GLY A 71 7.152 -3.623 8.948 1.00 20.22 C ATOM 1128 C GLY A 71 7.149 -2.107 8.934 1.00 22.53 C ATOM 1129 O GLY A 71 8.205 -1.476 8.997 1.00 55.24 O ATOM 0 H GLY A 71 5.490 -4.609 8.139 1.00 63.35 H new ATOM 0 HA2 GLY A 71 7.726 -3.974 9.806 1.00 20.22 H new ATOM 0 HA3 GLY A 71 7.657 -3.991 8.055 1.00 20.22 H new ATOM 1133 N THR A 72 5.959 -1.520 8.851 1.00 64.14 N ATOM 1134 CA THR A 72 5.823 -0.069 8.826 1.00 64.34 C ATOM 1135 C THR A 72 4.745 0.399 9.796 1.00 20.42 C ATOM 1136 O THR A 72 4.226 1.508 9.673 1.00 61.31 O ATOM 1137 CB THR A 72 5.481 0.439 7.412 1.00 23.42 C ATOM 1138 OG1 THR A 72 4.467 -0.386 6.827 1.00 23.14 O ATOM 1139 CG2 THR A 72 6.716 0.439 6.524 1.00 42.41 C ATOM 0 H THR A 72 5.076 -2.027 8.800 1.00 64.14 H new ATOM 0 HA THR A 72 6.785 0.344 9.130 1.00 64.34 H new ATOM 0 HB THR A 72 5.113 1.462 7.496 1.00 23.42 H new ATOM 0 HG1 THR A 72 4.141 0.032 6.003 1.00 23.14 H new ATOM 0 HG21 THR A 72 6.450 0.801 5.531 1.00 42.41 H new ATOM 0 HG22 THR A 72 7.475 1.090 6.957 1.00 42.41 H new ATOM 0 HG23 THR A 72 7.109 -0.575 6.447 1.00 42.41 H new ATOM 1147 N GLN A 73 4.414 -0.453 10.761 1.00 74.41 N ATOM 1148 CA GLN A 73 3.396 -0.126 11.753 1.00 42.44 C ATOM 1149 C GLN A 73 3.924 0.892 12.758 1.00 24.15 C ATOM 1150 O GLN A 73 4.843 0.603 13.525 1.00 53.34 O ATOM 1151 CB GLN A 73 2.938 -1.390 12.481 1.00 31.12 C ATOM 1152 CG GLN A 73 2.069 -1.111 13.697 1.00 54.34 C ATOM 1153 CD GLN A 73 2.861 -1.088 14.988 1.00 25.05 C ATOM 1154 OE1 GLN A 73 3.805 -1.860 15.165 1.00 14.22 O ATOM 1155 NE2 GLN A 73 2.483 -0.200 15.900 1.00 35.35 N ATOM 0 H GLN A 73 4.836 -1.374 10.877 1.00 74.41 H new ATOM 0 HA GLN A 73 2.544 0.312 11.233 1.00 42.44 H new ATOM 0 HB2 GLN A 73 2.383 -2.019 11.785 1.00 31.12 H new ATOM 0 HB3 GLN A 73 3.815 -1.957 12.794 1.00 31.12 H new ATOM 0 HG2 GLN A 73 1.566 -0.153 13.567 1.00 54.34 H new ATOM 0 HG3 GLN A 73 1.292 -1.872 13.766 1.00 54.34 H new ATOM 0 HE21 GLN A 73 1.695 0.420 15.712 1.00 35.35 H new ATOM 0 HE22 GLN A 73 2.980 -0.138 16.788 1.00 35.35 H new ATOM 1164 N GLY A 74 3.337 2.085 12.750 1.00 45.01 N ATOM 1165 CA GLY A 74 3.763 3.128 13.666 1.00 72.55 C ATOM 1166 C GLY A 74 4.201 4.388 12.946 1.00 35.11 C ATOM 1167 O GLY A 74 3.463 4.926 12.121 1.00 5.41 O ATOM 0 H GLY A 74 2.574 2.348 12.126 1.00 45.01 H new ATOM 0 HA2 GLY A 74 2.945 3.367 14.345 1.00 72.55 H new ATOM 0 HA3 GLY A 74 4.586 2.757 14.277 1.00 72.55 H new ATOM 1171 N GLU A 75 5.403 4.860 13.261 1.00 72.12 N ATOM 1172 CA GLU A 75 5.936 6.067 12.639 1.00 34.34 C ATOM 1173 C GLU A 75 6.031 5.902 11.125 1.00 14.42 C ATOM 1174 O GLU A 75 5.860 6.862 10.374 1.00 14.23 O ATOM 1175 CB GLU A 75 7.314 6.397 13.215 1.00 2.50 C ATOM 1176 CG GLU A 75 7.476 7.856 13.608 1.00 15.31 C ATOM 1177 CD GLU A 75 8.924 8.242 13.837 1.00 20.02 C ATOM 1178 OE1 GLU A 75 9.568 7.631 14.715 1.00 22.34 O ATOM 1179 OE2 GLU A 75 9.413 9.154 13.139 1.00 2.53 O ATOM 0 H GLU A 75 6.026 4.426 13.942 1.00 72.12 H new ATOM 0 HA GLU A 75 5.253 6.889 12.855 1.00 34.34 H new ATOM 0 HB2 GLU A 75 7.492 5.772 14.090 1.00 2.50 H new ATOM 0 HB3 GLU A 75 8.077 6.141 12.480 1.00 2.50 H new ATOM 0 HG2 GLU A 75 7.055 8.488 12.826 1.00 15.31 H new ATOM 0 HG3 GLU A 75 6.905 8.049 14.516 1.00 15.31 H new ATOM 1186 N ALA A 76 6.305 4.679 10.685 1.00 62.02 N ATOM 1187 CA ALA A 76 6.422 4.388 9.261 1.00 32.23 C ATOM 1188 C ALA A 76 5.096 4.616 8.544 1.00 73.12 C ATOM 1189 O ALA A 76 5.062 4.813 7.329 1.00 3.21 O ATOM 1190 CB ALA A 76 6.898 2.958 9.052 1.00 21.14 C ATOM 0 H ALA A 76 6.450 3.873 11.294 1.00 62.02 H new ATOM 0 HA ALA A 76 7.158 5.070 8.835 1.00 32.23 H new ATOM 0 HB1 ALA A 76 6.981 2.754 7.984 1.00 21.14 H new ATOM 0 HB2 ALA A 76 7.872 2.826 9.523 1.00 21.14 H new ATOM 0 HB3 ALA A 76 6.183 2.267 9.499 1.00 21.14 H new ATOM 1196 N ARG A 77 4.005 4.587 9.303 1.00 60.23 N ATOM 1197 CA ARG A 77 2.676 4.789 8.738 1.00 20.53 C ATOM 1198 C ARG A 77 2.531 6.201 8.180 1.00 10.44 C ATOM 1199 O ARG A 77 1.602 6.489 7.427 1.00 54.40 O ATOM 1200 CB ARG A 77 1.604 4.535 9.800 1.00 40.32 C ATOM 1201 CG ARG A 77 0.184 4.707 9.285 1.00 63.43 C ATOM 1202 CD ARG A 77 -0.367 6.084 9.618 1.00 43.31 C ATOM 1203 NE ARG A 77 -1.242 6.056 10.786 1.00 33.44 N ATOM 1204 CZ ARG A 77 -1.738 7.146 11.360 1.00 11.31 C ATOM 1205 NH1 ARG A 77 -1.446 8.345 10.875 1.00 13.34 N ATOM 1206 NH2 ARG A 77 -2.528 7.039 12.421 1.00 71.32 N ATOM 0 H ARG A 77 4.015 4.426 10.310 1.00 60.23 H new ATOM 0 HA ARG A 77 2.544 4.080 7.921 1.00 20.53 H new ATOM 0 HB2 ARG A 77 1.721 3.523 10.187 1.00 40.32 H new ATOM 0 HB3 ARG A 77 1.764 5.217 10.636 1.00 40.32 H new ATOM 0 HG2 ARG A 77 0.167 4.559 8.205 1.00 63.43 H new ATOM 0 HG3 ARG A 77 -0.458 3.942 9.722 1.00 63.43 H new ATOM 0 HD2 ARG A 77 0.460 6.771 9.801 1.00 43.31 H new ATOM 0 HD3 ARG A 77 -0.919 6.470 8.761 1.00 43.31 H new ATOM 0 HE ARG A 77 -1.486 5.149 11.183 1.00 33.44 H new ATOM 0 HH11 ARG A 77 -0.839 8.431 10.060 1.00 13.34 H new ATOM 0 HH12 ARG A 77 -1.828 9.181 11.317 1.00 13.34 H new ATOM 0 HH21 ARG A 77 -2.755 6.118 12.797 1.00 71.32 H new ATOM 0 HH22 ARG A 77 -2.908 7.877 12.861 1.00 71.32 H new ATOM 1220 N ALA A 78 3.456 7.078 8.557 1.00 40.35 N ATOM 1221 CA ALA A 78 3.432 8.460 8.093 1.00 41.01 C ATOM 1222 C ALA A 78 4.350 8.652 6.890 1.00 31.43 C ATOM 1223 O ALA A 78 3.930 9.163 5.852 1.00 71.52 O ATOM 1224 CB ALA A 78 3.831 9.402 9.219 1.00 24.34 C ATOM 0 H ALA A 78 4.231 6.856 9.182 1.00 40.35 H new ATOM 0 HA ALA A 78 2.414 8.694 7.781 1.00 41.01 H new ATOM 0 HB1 ALA A 78 3.809 10.430 8.858 1.00 24.34 H new ATOM 0 HB2 ALA A 78 3.133 9.293 10.049 1.00 24.34 H new ATOM 0 HB3 ALA A 78 4.838 9.158 9.558 1.00 24.34 H new ATOM 1230 N TYR A 79 5.604 8.239 7.038 1.00 50.43 N ATOM 1231 CA TYR A 79 6.582 8.369 5.964 1.00 22.13 C ATOM 1232 C TYR A 79 6.529 7.163 5.031 1.00 43.43 C ATOM 1233 O TYR A 79 6.232 7.296 3.843 1.00 4.15 O ATOM 1234 CB TYR A 79 7.990 8.518 6.544 1.00 71.40 C ATOM 1235 CG TYR A 79 9.081 8.027 5.619 1.00 34.51 C ATOM 1236 CD1 TYR A 79 9.464 8.770 4.509 1.00 23.25 C ATOM 1237 CD2 TYR A 79 9.727 6.819 5.854 1.00 52.31 C ATOM 1238 CE1 TYR A 79 10.460 8.325 3.661 1.00 32.02 C ATOM 1239 CE2 TYR A 79 10.724 6.367 5.012 1.00 43.31 C ATOM 1240 CZ TYR A 79 11.087 7.124 3.917 1.00 61.51 C ATOM 1241 OH TYR A 79 12.079 6.676 3.075 1.00 43.11 O ATOM 0 H TYR A 79 5.967 7.812 7.890 1.00 50.43 H new ATOM 0 HA TYR A 79 6.337 9.262 5.389 1.00 22.13 H new ATOM 0 HB2 TYR A 79 8.168 9.568 6.778 1.00 71.40 H new ATOM 0 HB3 TYR A 79 8.047 7.968 7.483 1.00 71.40 H new ATOM 0 HD1 TYR A 79 8.975 9.711 4.306 1.00 23.25 H new ATOM 0 HD2 TYR A 79 9.444 6.224 6.710 1.00 52.31 H new ATOM 0 HE1 TYR A 79 10.746 8.915 2.802 1.00 32.02 H new ATOM 0 HE2 TYR A 79 11.217 5.426 5.209 1.00 43.31 H new ATOM 0 HH TYR A 79 12.418 5.815 3.397 1.00 43.11 H new ATOM 1251 N SER A 80 6.819 5.987 5.577 1.00 21.11 N ATOM 1252 CA SER A 80 6.808 4.757 4.794 1.00 70.21 C ATOM 1253 C SER A 80 7.558 4.944 3.478 1.00 32.34 C ATOM 1254 O SER A 80 8.208 5.966 3.262 1.00 74.03 O ATOM 1255 CB SER A 80 5.369 4.317 4.516 1.00 2.11 C ATOM 1256 OG SER A 80 4.476 5.414 4.599 1.00 33.13 O ATOM 0 H SER A 80 7.065 5.860 6.559 1.00 21.11 H new ATOM 0 HA SER A 80 7.312 3.983 5.373 1.00 70.21 H new ATOM 0 HB2 SER A 80 5.308 3.868 3.525 1.00 2.11 H new ATOM 0 HB3 SER A 80 5.075 3.550 5.232 1.00 2.11 H new ATOM 0 HG SER A 80 3.568 5.085 4.762 1.00 33.13 H new ATOM 1262 N MET A 81 7.462 3.948 2.604 1.00 60.25 N ATOM 1263 CA MET A 81 8.130 4.002 1.308 1.00 10.23 C ATOM 1264 C MET A 81 9.602 4.366 1.471 1.00 44.12 C ATOM 1265 O MET A 81 10.130 4.381 2.583 1.00 12.22 O ATOM 1266 CB MET A 81 7.439 5.018 0.396 1.00 21.04 C ATOM 1267 CG MET A 81 5.940 4.800 0.269 1.00 22.52 C ATOM 1268 SD MET A 81 4.996 5.742 1.481 1.00 15.44 S ATOM 1269 CE MET A 81 3.339 5.580 0.820 1.00 32.24 C ATOM 0 H MET A 81 6.929 3.094 2.769 1.00 60.25 H new ATOM 0 HA MET A 81 8.066 3.014 0.852 1.00 10.23 H new ATOM 0 HB2 MET A 81 7.621 6.022 0.781 1.00 21.04 H new ATOM 0 HB3 MET A 81 7.890 4.970 -0.595 1.00 21.04 H new ATOM 0 HG2 MET A 81 5.620 5.082 -0.734 1.00 22.52 H new ATOM 0 HG3 MET A 81 5.720 3.739 0.388 1.00 22.52 H new ATOM 0 HE1 MET A 81 2.880 6.566 0.743 1.00 32.24 H new ATOM 0 HE2 MET A 81 3.385 5.123 -0.168 1.00 32.24 H new ATOM 0 HE3 MET A 81 2.743 4.953 1.483 1.00 32.24 H new ATOM 1279 N LYS A 82 10.262 4.659 0.355 1.00 75.32 N ATOM 1280 CA LYS A 82 11.673 5.024 0.373 1.00 61.33 C ATOM 1281 C LYS A 82 11.900 6.355 -0.337 1.00 31.32 C ATOM 1282 O LYS A 82 11.746 6.453 -1.554 1.00 3.23 O ATOM 1283 CB LYS A 82 12.512 3.930 -0.292 1.00 22.13 C ATOM 1284 CG LYS A 82 13.041 2.892 0.683 1.00 10.23 C ATOM 1285 CD LYS A 82 14.502 3.138 1.021 1.00 60.32 C ATOM 1286 CE LYS A 82 15.014 2.135 2.044 1.00 13.41 C ATOM 1287 NZ LYS A 82 15.361 0.830 1.417 1.00 52.33 N ATOM 0 H LYS A 82 9.841 4.651 -0.574 1.00 75.32 H new ATOM 0 HA LYS A 82 11.982 5.130 1.413 1.00 61.33 H new ATOM 0 HB2 LYS A 82 11.908 3.430 -1.049 1.00 22.13 H new ATOM 0 HB3 LYS A 82 13.353 4.392 -0.809 1.00 22.13 H new ATOM 0 HG2 LYS A 82 12.447 2.913 1.596 1.00 10.23 H new ATOM 0 HG3 LYS A 82 12.929 1.897 0.253 1.00 10.23 H new ATOM 0 HD2 LYS A 82 15.102 3.073 0.114 1.00 60.32 H new ATOM 0 HD3 LYS A 82 14.621 4.149 1.410 1.00 60.32 H new ATOM 0 HE2 LYS A 82 15.893 2.543 2.544 1.00 13.41 H new ATOM 0 HE3 LYS A 82 14.255 1.979 2.811 1.00 13.41 H new ATOM 0 HZ1 LYS A 82 15.706 0.175 2.147 1.00 52.33 H new ATOM 0 HZ2 LYS A 82 14.517 0.428 0.962 1.00 52.33 H new ATOM 0 HZ3 LYS A 82 16.103 0.974 0.703 1.00 52.33 H new ATOM 1301 N GLU A 83 12.267 7.375 0.432 1.00 4.11 N ATOM 1302 CA GLU A 83 12.516 8.700 -0.125 1.00 30.42 C ATOM 1303 C GLU A 83 13.704 8.673 -1.082 1.00 73.05 C ATOM 1304 O GLU A 83 13.729 9.398 -2.077 1.00 70.34 O ATOM 1305 CB GLU A 83 12.773 9.709 0.996 1.00 23.54 C ATOM 1306 CG GLU A 83 11.731 10.811 1.074 1.00 13.12 C ATOM 1307 CD GLU A 83 11.956 11.745 2.247 1.00 41.51 C ATOM 1308 OE1 GLU A 83 11.978 11.259 3.397 1.00 72.41 O ATOM 1309 OE2 GLU A 83 12.110 12.963 2.015 1.00 24.33 O ATOM 0 H GLU A 83 12.398 7.310 1.441 1.00 4.11 H new ATOM 0 HA GLU A 83 11.630 9.004 -0.682 1.00 30.42 H new ATOM 0 HB2 GLU A 83 12.803 9.181 1.949 1.00 23.54 H new ATOM 0 HB3 GLU A 83 13.755 10.159 0.850 1.00 23.54 H new ATOM 0 HG2 GLU A 83 11.746 11.386 0.148 1.00 13.12 H new ATOM 0 HG3 GLU A 83 10.740 10.364 1.155 1.00 13.12 H new ATOM 1316 N ASP A 84 14.686 7.833 -0.774 1.00 52.22 N ATOM 1317 CA ASP A 84 15.877 7.711 -1.607 1.00 32.13 C ATOM 1318 C ASP A 84 15.500 7.411 -3.054 1.00 73.21 C ATOM 1319 O ASP A 84 16.147 7.886 -3.988 1.00 23.13 O ATOM 1320 CB ASP A 84 16.792 6.611 -1.067 1.00 30.15 C ATOM 1321 CG ASP A 84 18.199 7.108 -0.799 1.00 30.12 C ATOM 1322 OD1 ASP A 84 18.346 8.102 -0.058 1.00 14.20 O ATOM 1323 OD2 ASP A 84 19.154 6.503 -1.331 1.00 14.11 O ATOM 0 H ASP A 84 14.681 7.227 0.046 1.00 52.22 H new ATOM 0 HA ASP A 84 16.409 8.662 -1.579 1.00 32.13 H new ATOM 0 HB2 ASP A 84 16.369 6.211 -0.145 1.00 30.15 H new ATOM 0 HB3 ASP A 84 16.830 5.790 -1.783 1.00 30.15 H new ATOM 1328 N THR A 85 14.448 6.618 -3.234 1.00 71.21 N ATOM 1329 CA THR A 85 13.986 6.252 -4.567 1.00 54.10 C ATOM 1330 C THR A 85 12.636 6.891 -4.876 1.00 5.24 C ATOM 1331 O THR A 85 12.006 6.576 -5.885 1.00 61.00 O ATOM 1332 CB THR A 85 13.864 4.724 -4.720 1.00 1.20 C ATOM 1333 OG1 THR A 85 13.161 4.174 -3.601 1.00 14.24 O ATOM 1334 CG2 THR A 85 15.238 4.080 -4.828 1.00 41.20 C ATOM 0 H THR A 85 13.900 6.217 -2.473 1.00 71.21 H new ATOM 0 HA THR A 85 14.731 6.622 -5.272 1.00 54.10 H new ATOM 0 HB THR A 85 13.309 4.516 -5.635 1.00 1.20 H new ATOM 0 HG1 THR A 85 13.086 3.203 -3.707 1.00 14.24 H new ATOM 0 HG21 THR A 85 15.127 3.001 -4.935 1.00 41.20 H new ATOM 0 HG22 THR A 85 15.760 4.479 -5.698 1.00 41.20 H new ATOM 0 HG23 THR A 85 15.814 4.298 -3.928 1.00 41.20 H new ATOM 1342 N ARG A 86 12.199 7.791 -4.001 1.00 22.13 N ATOM 1343 CA ARG A 86 10.924 8.474 -4.180 1.00 52.02 C ATOM 1344 C ARG A 86 10.916 9.279 -5.477 1.00 33.52 C ATOM 1345 O ARG A 86 11.740 10.173 -5.670 1.00 12.51 O ATOM 1346 CB ARG A 86 10.644 9.397 -2.993 1.00 10.31 C ATOM 1347 CG ARG A 86 9.549 10.417 -3.259 1.00 40.23 C ATOM 1348 CD ARG A 86 8.943 10.935 -1.964 1.00 42.33 C ATOM 1349 NE ARG A 86 9.649 12.110 -1.461 1.00 45.53 N ATOM 1350 CZ ARG A 86 9.164 12.913 -0.521 1.00 31.03 C ATOM 1351 NH1 ARG A 86 7.977 12.668 0.016 1.00 32.15 N ATOM 1352 NH2 ARG A 86 9.867 13.963 -0.115 1.00 55.13 N ATOM 0 H ARG A 86 12.709 8.064 -3.161 1.00 22.13 H new ATOM 0 HA ARG A 86 10.141 7.718 -4.236 1.00 52.02 H new ATOM 0 HB2 ARG A 86 10.363 8.791 -2.131 1.00 10.31 H new ATOM 0 HB3 ARG A 86 11.562 9.922 -2.728 1.00 10.31 H new ATOM 0 HG2 ARG A 86 9.958 11.251 -3.830 1.00 40.23 H new ATOM 0 HG3 ARG A 86 8.769 9.964 -3.871 1.00 40.23 H new ATOM 0 HD2 ARG A 86 7.895 11.185 -2.129 1.00 42.33 H new ATOM 0 HD3 ARG A 86 8.968 10.147 -1.211 1.00 42.33 H new ATOM 0 HE ARG A 86 10.565 12.326 -1.853 1.00 45.53 H new ATOM 0 HH11 ARG A 86 7.434 11.861 -0.293 1.00 32.15 H new ATOM 0 HH12 ARG A 86 7.606 13.286 0.738 1.00 32.15 H new ATOM 0 HH21 ARG A 86 10.781 14.154 -0.525 1.00 55.13 H new ATOM 0 HH22 ARG A 86 9.493 14.579 0.607 1.00 55.13 H new ATOM 1366 N LEU A 87 9.980 8.954 -6.362 1.00 64.14 N ATOM 1367 CA LEU A 87 9.865 9.646 -7.642 1.00 31.44 C ATOM 1368 C LEU A 87 8.643 10.558 -7.659 1.00 11.22 C ATOM 1369 O LEU A 87 8.764 11.770 -7.834 1.00 5.13 O ATOM 1370 CB LEU A 87 9.776 8.633 -8.785 1.00 12.20 C ATOM 1371 CG LEU A 87 10.925 8.657 -9.794 1.00 32.04 C ATOM 1372 CD1 LEU A 87 10.644 7.704 -10.945 1.00 52.33 C ATOM 1373 CD2 LEU A 87 11.151 10.070 -10.311 1.00 41.10 C ATOM 0 H LEU A 87 9.290 8.217 -6.217 1.00 64.14 H new ATOM 0 HA LEU A 87 10.756 10.260 -7.777 1.00 31.44 H new ATOM 0 HB2 LEU A 87 9.718 7.633 -8.354 1.00 12.20 H new ATOM 0 HB3 LEU A 87 8.843 8.803 -9.323 1.00 12.20 H new ATOM 0 HG LEU A 87 11.833 8.327 -9.290 1.00 32.04 H new ATOM 0 HD11 LEU A 87 11.472 7.734 -11.653 1.00 52.33 H new ATOM 0 HD12 LEU A 87 10.533 6.691 -10.559 1.00 52.33 H new ATOM 0 HD13 LEU A 87 9.725 8.003 -11.449 1.00 52.33 H new ATOM 0 HD21 LEU A 87 11.972 10.068 -11.028 1.00 41.10 H new ATOM 0 HD22 LEU A 87 10.244 10.428 -10.799 1.00 41.10 H new ATOM 0 HD23 LEU A 87 11.399 10.727 -9.477 1.00 41.10 H new ATOM 1385 N GLU A 88 7.467 9.967 -7.474 1.00 55.11 N ATOM 1386 CA GLU A 88 6.223 10.728 -7.467 1.00 13.20 C ATOM 1387 C GLU A 88 5.527 10.621 -6.113 1.00 60.01 C ATOM 1388 O GLU A 88 5.972 9.888 -5.231 1.00 13.13 O ATOM 1389 CB GLU A 88 5.289 10.232 -8.573 1.00 41.32 C ATOM 1390 CG GLU A 88 4.683 11.350 -9.405 1.00 2.21 C ATOM 1391 CD GLU A 88 5.732 12.177 -10.123 1.00 11.43 C ATOM 1392 OE1 GLU A 88 6.896 11.731 -10.191 1.00 71.01 O ATOM 1393 OE2 GLU A 88 5.388 13.272 -10.616 1.00 75.24 O ATOM 0 H GLU A 88 7.349 8.965 -7.327 1.00 55.11 H new ATOM 0 HA GLU A 88 6.467 11.775 -7.649 1.00 13.20 H new ATOM 0 HB2 GLU A 88 5.842 9.561 -9.230 1.00 41.32 H new ATOM 0 HB3 GLU A 88 4.485 9.648 -8.124 1.00 41.32 H new ATOM 0 HG2 GLU A 88 3.999 10.923 -10.138 1.00 2.21 H new ATOM 0 HG3 GLU A 88 4.093 12.000 -8.759 1.00 2.21 H new ATOM 1400 N GLY A 89 4.432 11.359 -5.957 1.00 32.32 N ATOM 1401 CA GLY A 89 3.692 11.333 -4.708 1.00 42.34 C ATOM 1402 C GLY A 89 4.143 12.413 -3.745 1.00 43.43 C ATOM 1403 O GLY A 89 4.895 13.320 -4.104 1.00 13.42 O ATOM 0 H GLY A 89 4.044 11.974 -6.672 1.00 32.32 H new ATOM 0 HA2 GLY A 89 2.629 11.457 -4.916 1.00 42.34 H new ATOM 0 HA3 GLY A 89 3.813 10.357 -4.238 1.00 42.34 H new ATOM 1407 N PRO A 90 3.678 12.325 -2.490 1.00 61.44 N ATOM 1408 CA PRO A 90 2.782 11.250 -2.052 1.00 64.04 C ATOM 1409 C PRO A 90 1.391 11.370 -2.664 1.00 73.21 C ATOM 1410 O PRO A 90 1.050 12.392 -3.259 1.00 42.31 O ATOM 1411 CB PRO A 90 2.717 11.439 -0.535 1.00 24.22 C ATOM 1412 CG PRO A 90 3.021 12.881 -0.319 1.00 44.21 C ATOM 1413 CD PRO A 90 3.990 13.267 -1.403 1.00 22.34 C ATOM 0 HA PRO A 90 3.143 10.268 -2.358 1.00 64.04 H new ATOM 0 HB2 PRO A 90 1.733 11.179 -0.146 1.00 24.22 H new ATOM 0 HB3 PRO A 90 3.440 10.802 -0.025 1.00 24.22 H new ATOM 0 HG2 PRO A 90 2.114 13.483 -0.374 1.00 44.21 H new ATOM 0 HG3 PRO A 90 3.454 13.045 0.668 1.00 44.21 H new ATOM 0 HD2 PRO A 90 3.852 14.302 -1.716 1.00 22.34 H new ATOM 0 HD3 PRO A 90 5.024 13.170 -1.071 1.00 22.34 H new ATOM 1421 N TRP A 91 0.591 10.320 -2.514 1.00 3.14 N ATOM 1422 CA TRP A 91 -0.764 10.309 -3.052 1.00 34.24 C ATOM 1423 C TRP A 91 -1.732 9.649 -2.075 1.00 61.34 C ATOM 1424 O TRP A 91 -1.473 8.554 -1.577 1.00 73.45 O ATOM 1425 CB TRP A 91 -0.796 9.577 -4.394 1.00 72.41 C ATOM 1426 CG TRP A 91 -0.215 10.376 -5.521 1.00 25.14 C ATOM 1427 CD1 TRP A 91 -0.313 11.726 -5.704 1.00 24.31 C ATOM 1428 CD2 TRP A 91 0.553 9.874 -6.620 1.00 43.41 C ATOM 1429 NE1 TRP A 91 0.348 12.094 -6.851 1.00 61.52 N ATOM 1430 CE2 TRP A 91 0.889 10.976 -7.431 1.00 55.40 C ATOM 1431 CE3 TRP A 91 0.992 8.602 -6.997 1.00 50.54 C ATOM 1432 CZ2 TRP A 91 1.640 10.842 -8.595 1.00 42.13 C ATOM 1433 CZ3 TRP A 91 1.738 8.471 -8.153 1.00 74.24 C ATOM 1434 CH2 TRP A 91 2.056 9.585 -8.941 1.00 4.11 C ATOM 0 H TRP A 91 0.857 9.466 -2.024 1.00 3.14 H new ATOM 0 HA TRP A 91 -1.077 11.342 -3.203 1.00 34.24 H new ATOM 0 HB2 TRP A 91 -0.247 8.640 -4.302 1.00 72.41 H new ATOM 0 HB3 TRP A 91 -1.827 9.320 -4.635 1.00 72.41 H new ATOM 0 HD1 TRP A 91 -0.833 12.404 -5.044 1.00 24.31 H new ATOM 0 HE1 TRP A 91 0.424 13.045 -7.212 1.00 61.52 H new ATOM 0 HE3 TRP A 91 0.753 7.737 -6.396 1.00 50.54 H new ATOM 0 HZ2 TRP A 91 1.886 11.700 -9.204 1.00 42.13 H new ATOM 0 HZ3 TRP A 91 2.082 7.493 -8.454 1.00 74.24 H new ATOM 0 HH2 TRP A 91 2.641 9.449 -9.839 1.00 4.11 H new ATOM 1445 N GLU A 92 -2.846 10.322 -1.807 1.00 33.12 N ATOM 1446 CA GLU A 92 -3.851 9.799 -0.889 1.00 75.10 C ATOM 1447 C GLU A 92 -5.180 9.576 -1.606 1.00 63.25 C ATOM 1448 O GLU A 92 -5.614 10.407 -2.405 1.00 22.34 O ATOM 1449 CB GLU A 92 -4.049 10.758 0.287 1.00 51.14 C ATOM 1450 CG GLU A 92 -2.838 10.862 1.198 1.00 62.30 C ATOM 1451 CD GLU A 92 -2.614 12.270 1.713 1.00 41.31 C ATOM 1452 OE1 GLU A 92 -3.594 12.903 2.158 1.00 72.20 O ATOM 1453 OE2 GLU A 92 -1.457 12.740 1.671 1.00 73.23 O ATOM 0 H GLU A 92 -3.075 11.230 -2.212 1.00 33.12 H new ATOM 0 HA GLU A 92 -3.496 8.840 -0.511 1.00 75.10 H new ATOM 0 HB2 GLU A 92 -4.289 11.749 -0.099 1.00 51.14 H new ATOM 0 HB3 GLU A 92 -4.907 10.428 0.873 1.00 51.14 H new ATOM 0 HG2 GLU A 92 -2.965 10.186 2.044 1.00 62.30 H new ATOM 0 HG3 GLU A 92 -1.951 10.532 0.657 1.00 62.30 H new ATOM 1460 N TYR A 93 -5.819 8.448 -1.317 1.00 14.32 N ATOM 1461 CA TYR A 93 -7.096 8.113 -1.936 1.00 14.32 C ATOM 1462 C TYR A 93 -8.030 7.444 -0.932 1.00 24.24 C ATOM 1463 O TYR A 93 -7.587 6.912 0.085 1.00 20.54 O ATOM 1464 CB TYR A 93 -6.878 7.193 -3.138 1.00 54.53 C ATOM 1465 CG TYR A 93 -6.085 7.834 -4.255 1.00 13.21 C ATOM 1466 CD1 TYR A 93 -6.693 8.697 -5.159 1.00 13.14 C ATOM 1467 CD2 TYR A 93 -4.729 7.576 -4.407 1.00 3.10 C ATOM 1468 CE1 TYR A 93 -5.973 9.284 -6.181 1.00 0.32 C ATOM 1469 CE2 TYR A 93 -4.000 8.160 -5.425 1.00 72.12 C ATOM 1470 CZ TYR A 93 -4.627 9.013 -6.310 1.00 2.04 C ATOM 1471 OH TYR A 93 -3.905 9.595 -7.326 1.00 41.51 O ATOM 0 H TYR A 93 -5.474 7.750 -0.658 1.00 14.32 H new ATOM 0 HA TYR A 93 -7.560 9.039 -2.275 1.00 14.32 H new ATOM 0 HB2 TYR A 93 -6.361 6.293 -2.807 1.00 54.53 H new ATOM 0 HB3 TYR A 93 -7.847 6.879 -3.525 1.00 54.53 H new ATOM 0 HD1 TYR A 93 -7.747 8.912 -5.061 1.00 13.14 H new ATOM 0 HD2 TYR A 93 -4.236 6.907 -3.717 1.00 3.10 H new ATOM 0 HE1 TYR A 93 -6.461 9.952 -6.875 1.00 0.32 H new ATOM 0 HE2 TYR A 93 -2.946 7.950 -5.527 1.00 72.12 H new ATOM 0 HH TYR A 93 -2.972 9.300 -7.275 1.00 41.51 H new ATOM 1481 N GLY A 94 -9.326 7.474 -1.226 1.00 42.54 N ATOM 1482 CA GLY A 94 -10.302 6.867 -0.341 1.00 54.32 C ATOM 1483 C GLY A 94 -10.738 7.802 0.770 1.00 73.03 C ATOM 1484 O GLY A 94 -10.804 9.016 0.577 1.00 34.54 O ATOM 0 H GLY A 94 -9.717 7.908 -2.062 1.00 42.54 H new ATOM 0 HA2 GLY A 94 -11.174 6.564 -0.920 1.00 54.32 H new ATOM 0 HA3 GLY A 94 -9.879 5.962 0.095 1.00 54.32 H new ATOM 1488 N GLU A 95 -11.038 7.235 1.934 1.00 2.44 N ATOM 1489 CA GLU A 95 -11.472 8.027 3.079 1.00 13.50 C ATOM 1490 C GLU A 95 -10.288 8.733 3.733 1.00 10.51 C ATOM 1491 O GLU A 95 -9.883 9.813 3.304 1.00 4.11 O ATOM 1492 CB GLU A 95 -12.179 7.138 4.104 1.00 54.21 C ATOM 1493 CG GLU A 95 -12.453 7.833 5.427 1.00 53.41 C ATOM 1494 CD GLU A 95 -13.394 9.014 5.282 1.00 43.11 C ATOM 1495 OE1 GLU A 95 -14.345 8.920 4.479 1.00 51.34 O ATOM 1496 OE2 GLU A 95 -13.178 10.032 5.973 1.00 42.04 O ATOM 0 H GLU A 95 -10.989 6.231 2.109 1.00 2.44 H new ATOM 0 HA GLU A 95 -12.171 8.783 2.721 1.00 13.50 H new ATOM 0 HB2 GLU A 95 -13.123 6.792 3.683 1.00 54.21 H new ATOM 0 HB3 GLU A 95 -11.569 6.254 4.287 1.00 54.21 H new ATOM 0 HG2 GLU A 95 -12.881 7.116 6.128 1.00 53.41 H new ATOM 0 HG3 GLU A 95 -11.511 8.174 5.856 1.00 53.41 H new TER 1503 GLU A 95