USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1051 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 63 MET CE :methyl -150:sc= -3.52 (180deg=-3.67) USER MOD Set 1.2: A 151 THR OG1 : rot -81:sc= -0.801 USER MOD Set 2.1: A 132 HIS : no HE2:sc= -0.698 K(o=0.022,f=-4.9!) USER MOD Set 2.2: A 135 THR OG1 : rot -65:sc= 0.72 USER MOD Set 3.1: A 93 MET CE :methyl -124:sc= -5.58! (180deg=-5.15!) USER MOD Set 3.2: A 110 MET CE :methyl -170:sc= -2.15! (180deg=-3.04!) USER MOD Set 4.1: A 67 HIS : no HD1:sc= -0.289 K(o=-0.011,f=-1.2) USER MOD Set 4.2: A 111 THR OG1 : rot -101:sc= 0.278 USER MOD Set 5.1: A 41 GLN : amide:sc= -1.72 K(o=-0.69,f=-4.6) USER MOD Set 5.2: A 84 LYS NZ :NH3+ -177:sc= 1.03 (180deg=0) USER MOD Set 6.1: A 35 SER OG : rot 102:sc= 0.914 USER MOD Set 6.2: A 154 LYS NZ :NH3+ -138:sc= 1.06 (180deg=0) USER MOD Set 7.1: A 33 GLN : amide:sc= -0.105 K(o=0.47,f=-0.55) USER MOD Set 7.2: A 68 ASN : amide:sc= 0.574 K(o=0.47,f=-6.4!) USER MOD Single : A 22 MET CE :methyl 161:sc= -0.0823 (180deg=-0.493) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00566 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0212 USER MOD Single : A 31 GLN : amide:sc= -0.799 X(o=-0.8,f=-0.88) USER MOD Single : A 37 TYR OH : rot -172:sc= 0.457 USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= 1.23 (180deg=0.681) USER MOD Single : A 48 SER OG : rot -81:sc= 1.02 USER MOD Single : A 54 ASN : amide:sc= -1.85! X(o=-1.9!,f=-1.9) USER MOD Single : A 55 GLN : amide:sc= -2.87 X(o=-2.9,f=-3.2!) USER MOD Single : A 57 THR OG1 : rot -6:sc= -0.778 USER MOD Single : A 59 HIS :FLIP no HE2:sc= -0.0557 F(o=-0.86,f=-0.056) USER MOD Single : A 65 SER OG : rot -1:sc= -0.0803 USER MOD Single : A 72 ASN : amide:sc= -2.81! C(o=-2.8!,f=-9.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 1.77 USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= -2.95! (180deg=-5.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.192 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 103 LYS NZ :NH3+ -173:sc= 1.64 (180deg=1.3) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 106:sc= 1.19 USER MOD Single : A 109 ASN : amide:sc= -0.0192 K(o=-0.019,f=-0.8) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 96:sc= 0.222 USER MOD Single : A 118 GLN : amide:sc= -0.76 K(o=-0.76,f=-3.9!) USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 159:sc= 0.705 (180deg=0.318) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 ASN :FLIP amide:sc= -3.47! C(o=-4.3!,f=-3.5!) USER MOD Single : A 146 SER OG : rot -35:sc= -0.44! USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 22 -0.824 -21.890 7.026 1.00 0.00 N ATOM 2 CA MET A 22 -1.706 -21.424 5.953 1.00 0.00 C ATOM 3 C MET A 22 -2.639 -20.375 6.500 1.00 0.00 C ATOM 4 O MET A 22 -3.693 -20.695 7.053 1.00 0.00 O ATOM 5 CB MET A 22 -2.531 -22.573 5.337 1.00 0.00 C ATOM 6 CG MET A 22 -1.708 -23.709 4.746 1.00 0.00 C ATOM 7 SD MET A 22 -2.727 -24.999 3.973 1.00 0.00 S ATOM 8 CE MET A 22 -3.459 -24.094 2.601 1.00 0.00 C ATOM 0 HA MET A 22 -1.080 -21.008 5.163 1.00 0.00 H new ATOM 0 HB2 MET A 22 -3.188 -22.981 6.105 1.00 0.00 H new ATOM 0 HB3 MET A 22 -3.171 -22.163 4.556 1.00 0.00 H new ATOM 0 HG2 MET A 22 -1.021 -23.304 4.004 1.00 0.00 H new ATOM 0 HG3 MET A 22 -1.100 -24.157 5.532 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.826 -24.799 1.855 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.288 -23.487 2.966 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.707 -23.447 2.150 1.00 0.00 H new ATOM 20 N ASP A 23 -2.230 -19.134 6.416 1.00 0.00 N ATOM 21 CA ASP A 23 -3.042 -18.031 6.924 1.00 0.00 C ATOM 22 C ASP A 23 -3.418 -17.110 5.798 1.00 0.00 C ATOM 23 O ASP A 23 -4.383 -16.348 5.882 1.00 0.00 O ATOM 24 CB ASP A 23 -2.293 -17.242 8.001 1.00 0.00 C ATOM 25 CG ASP A 23 -1.867 -18.087 9.179 1.00 0.00 C ATOM 26 OD1 ASP A 23 -2.683 -18.345 10.069 1.00 0.00 O ATOM 27 OD2 ASP A 23 -0.682 -18.524 9.217 1.00 0.00 O ATOM 0 H ASP A 23 -1.341 -18.851 6.003 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.942 -18.454 7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.411 -16.782 7.556 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.930 -16.432 8.356 1.00 0.00 H new ATOM 32 N CYS A 24 -2.653 -17.178 4.756 1.00 0.00 N ATOM 33 CA CYS A 24 -2.838 -16.362 3.612 1.00 0.00 C ATOM 34 C CYS A 24 -3.585 -17.102 2.499 1.00 0.00 C ATOM 35 O CYS A 24 -3.294 -18.270 2.219 1.00 0.00 O ATOM 36 CB CYS A 24 -1.497 -15.870 3.134 1.00 0.00 C ATOM 37 SG CYS A 24 -0.640 -14.806 4.335 1.00 0.00 S ATOM 0 H CYS A 24 -1.864 -17.820 4.681 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.458 -15.509 3.888 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.865 -16.728 2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.633 -15.318 2.204 1.00 0.00 H new ATOM 42 N PRO A 25 -4.570 -16.423 1.864 1.00 0.00 N ATOM 43 CA PRO A 25 -5.397 -16.987 0.770 1.00 0.00 C ATOM 44 C PRO A 25 -4.595 -17.626 -0.385 1.00 0.00 C ATOM 45 O PRO A 25 -4.908 -18.728 -0.840 1.00 0.00 O ATOM 46 CB PRO A 25 -6.145 -15.760 0.251 1.00 0.00 C ATOM 47 CG PRO A 25 -6.284 -14.888 1.437 1.00 0.00 C ATOM 48 CD PRO A 25 -5.007 -15.043 2.200 1.00 0.00 C ATOM 0 HA PRO A 25 -6.019 -17.802 1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.590 -15.263 -0.545 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.118 -16.031 -0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.443 -13.850 1.144 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.141 -15.183 2.042 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.266 -14.302 1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.162 -14.920 3.272 1.00 0.00 H new ATOM 56 N SER A 26 -3.590 -16.935 -0.869 1.00 0.00 N ATOM 57 CA SER A 26 -2.803 -17.416 -1.988 1.00 0.00 C ATOM 58 C SER A 26 -1.318 -17.089 -1.768 1.00 0.00 C ATOM 59 O SER A 26 -0.985 -16.343 -0.847 1.00 0.00 O ATOM 60 CB SER A 26 -3.319 -16.770 -3.287 1.00 0.00 C ATOM 61 OG SER A 26 -4.707 -17.039 -3.478 1.00 0.00 O ATOM 0 H SER A 26 -3.294 -16.030 -0.504 1.00 0.00 H new ATOM 0 HA SER A 26 -2.903 -18.498 -2.068 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.156 -15.693 -3.251 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.751 -17.150 -4.136 1.00 0.00 H new ATOM 0 HG SER A 26 -5.011 -16.617 -4.309 1.00 0.00 H new ATOM 67 N SER A 27 -0.448 -17.626 -2.618 1.00 0.00 N ATOM 68 CA SER A 27 0.998 -17.424 -2.530 1.00 0.00 C ATOM 69 C SER A 27 1.379 -15.948 -2.701 1.00 0.00 C ATOM 70 O SER A 27 2.389 -15.492 -2.170 1.00 0.00 O ATOM 71 CB SER A 27 1.656 -18.228 -3.619 1.00 0.00 C ATOM 72 OG SER A 27 1.124 -19.540 -3.660 1.00 0.00 O ATOM 0 H SER A 27 -0.729 -18.221 -3.397 1.00 0.00 H new ATOM 0 HA SER A 27 1.332 -17.744 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.506 -17.739 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.732 -18.271 -3.448 1.00 0.00 H new ATOM 0 HG SER A 27 1.562 -20.048 -4.375 1.00 0.00 H new ATOM 78 N THR A 28 0.541 -15.211 -3.419 1.00 0.00 N ATOM 79 CA THR A 28 0.738 -13.796 -3.694 1.00 0.00 C ATOM 80 C THR A 28 0.624 -12.966 -2.396 1.00 0.00 C ATOM 81 O THR A 28 1.017 -11.800 -2.345 1.00 0.00 O ATOM 82 CB THR A 28 -0.351 -13.351 -4.675 1.00 0.00 C ATOM 83 OG1 THR A 28 -0.468 -14.352 -5.703 1.00 0.00 O ATOM 84 CG2 THR A 28 -0.007 -12.011 -5.318 1.00 0.00 C ATOM 0 H THR A 28 -0.311 -15.589 -3.834 1.00 0.00 H new ATOM 0 HA THR A 28 1.732 -13.640 -4.114 1.00 0.00 H new ATOM 0 HB THR A 28 -1.289 -13.233 -4.132 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.163 -14.086 -6.341 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.800 -11.724 -6.008 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.092 -11.251 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.933 -12.099 -5.862 1.00 0.00 H new ATOM 92 N TRP A 29 0.103 -13.594 -1.370 1.00 0.00 N ATOM 93 CA TRP A 29 -0.075 -12.994 -0.099 1.00 0.00 C ATOM 94 C TRP A 29 1.162 -13.238 0.755 1.00 0.00 C ATOM 95 O TRP A 29 1.659 -14.371 0.852 1.00 0.00 O ATOM 96 CB TRP A 29 -1.313 -13.571 0.555 1.00 0.00 C ATOM 97 CG TRP A 29 -2.598 -13.157 -0.064 1.00 0.00 C ATOM 98 CD1 TRP A 29 -3.122 -13.588 -1.215 1.00 0.00 C ATOM 99 CD2 TRP A 29 -3.518 -12.248 0.475 1.00 0.00 C ATOM 100 NE1 TRP A 29 -4.316 -12.978 -1.455 1.00 0.00 N ATOM 101 CE2 TRP A 29 -4.581 -12.142 -0.418 1.00 0.00 C ATOM 102 CE3 TRP A 29 -3.533 -11.513 1.620 1.00 0.00 C ATOM 103 CZ2 TRP A 29 -5.655 -11.312 -0.185 1.00 0.00 C ATOM 104 CZ3 TRP A 29 -4.608 -10.681 1.862 1.00 0.00 C ATOM 105 CH2 TRP A 29 -5.652 -10.588 0.958 1.00 0.00 C ATOM 0 H TRP A 29 -0.213 -14.563 -1.412 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.209 -11.918 -0.206 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.247 -14.659 0.528 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.321 -13.278 1.605 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.663 -14.318 -1.865 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.909 -13.124 -2.272 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.719 -11.579 2.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.471 -11.242 -0.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.635 -10.095 2.769 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.479 -9.926 1.169 1.00 0.00 H new ATOM 116 N ILE A 30 1.660 -12.189 1.327 1.00 0.00 N ATOM 117 CA ILE A 30 2.877 -12.192 2.105 1.00 0.00 C ATOM 118 C ILE A 30 2.567 -12.008 3.582 1.00 0.00 C ATOM 119 O ILE A 30 2.032 -10.992 3.984 1.00 0.00 O ATOM 120 CB ILE A 30 3.807 -11.076 1.551 1.00 0.00 C ATOM 121 CG1 ILE A 30 4.099 -11.427 0.099 1.00 0.00 C ATOM 122 CG2 ILE A 30 5.113 -10.917 2.349 1.00 0.00 C ATOM 123 CD1 ILE A 30 5.014 -10.499 -0.573 1.00 0.00 C ATOM 0 H ILE A 30 1.222 -11.270 1.269 1.00 0.00 H new ATOM 0 HA ILE A 30 3.388 -13.151 2.018 1.00 0.00 H new ATOM 0 HB ILE A 30 3.303 -10.114 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.523 -12.430 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.159 -11.455 -0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.714 -10.122 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.879 -10.664 3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.672 -11.852 2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.168 -10.822 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.585 -9.497 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.970 -10.487 -0.049 1.00 0.00 H new ATOM 135 N GLN A 31 2.869 -13.009 4.369 1.00 0.00 N ATOM 136 CA GLN A 31 2.572 -12.996 5.789 1.00 0.00 C ATOM 137 C GLN A 31 3.721 -12.366 6.539 1.00 0.00 C ATOM 138 O GLN A 31 4.875 -12.771 6.380 1.00 0.00 O ATOM 139 CB GLN A 31 2.331 -14.417 6.288 1.00 0.00 C ATOM 140 CG GLN A 31 1.906 -14.529 7.751 1.00 0.00 C ATOM 141 CD GLN A 31 1.709 -15.972 8.163 1.00 0.00 C ATOM 142 OE1 GLN A 31 2.339 -16.887 7.626 1.00 0.00 O ATOM 143 NE2 GLN A 31 0.907 -16.178 9.153 1.00 0.00 N ATOM 0 H GLN A 31 3.329 -13.861 4.048 1.00 0.00 H new ATOM 0 HA GLN A 31 1.669 -12.411 5.962 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.563 -14.878 5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.244 -14.995 6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.662 -14.068 8.387 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.979 -13.976 7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.403 -15.397 9.572 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.778 -17.122 9.516 1.00 0.00 H new ATOM 152 N PHE A 32 3.418 -11.381 7.327 1.00 0.00 N ATOM 153 CA PHE A 32 4.400 -10.690 8.068 1.00 0.00 C ATOM 154 C PHE A 32 3.862 -10.351 9.441 1.00 0.00 C ATOM 155 O PHE A 32 2.822 -9.673 9.566 1.00 0.00 O ATOM 156 CB PHE A 32 4.805 -9.453 7.292 1.00 0.00 C ATOM 157 CG PHE A 32 5.842 -8.587 7.919 1.00 0.00 C ATOM 158 CD1 PHE A 32 7.169 -8.975 7.949 1.00 0.00 C ATOM 159 CD2 PHE A 32 5.494 -7.366 8.439 1.00 0.00 C ATOM 160 CE1 PHE A 32 8.130 -8.155 8.495 1.00 0.00 C ATOM 161 CE2 PHE A 32 6.448 -6.534 8.977 1.00 0.00 C ATOM 162 CZ PHE A 32 7.770 -6.929 9.006 1.00 0.00 C ATOM 0 H PHE A 32 2.468 -11.038 7.468 1.00 0.00 H new ATOM 0 HA PHE A 32 5.284 -11.311 8.214 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.169 -9.767 6.314 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.913 -8.849 7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.455 -9.933 7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.460 -7.055 8.426 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.162 -8.472 8.522 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.163 -5.572 9.377 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.520 -6.277 9.429 1.00 0.00 H new ATOM 172 N GLN A 33 4.545 -10.875 10.454 1.00 0.00 N ATOM 173 CA GLN A 33 4.246 -10.687 11.872 1.00 0.00 C ATOM 174 C GLN A 33 2.919 -11.327 12.274 1.00 0.00 C ATOM 175 O GLN A 33 2.902 -12.385 12.911 1.00 0.00 O ATOM 176 CB GLN A 33 4.326 -9.211 12.268 1.00 0.00 C ATOM 177 CG GLN A 33 5.707 -8.617 12.035 1.00 0.00 C ATOM 178 CD GLN A 33 5.748 -7.121 12.208 1.00 0.00 C ATOM 179 OE1 GLN A 33 4.765 -6.433 11.972 1.00 0.00 O ATOM 180 NE2 GLN A 33 6.879 -6.603 12.569 1.00 0.00 N ATOM 0 H GLN A 33 5.360 -11.470 10.303 1.00 0.00 H new ATOM 0 HA GLN A 33 5.017 -11.212 12.437 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.590 -8.645 11.697 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.062 -9.106 13.320 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.414 -9.075 12.727 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.038 -8.869 11.027 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.679 -7.207 12.758 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.969 -5.591 12.664 1.00 0.00 H new ATOM 189 N ASP A 34 1.830 -10.717 11.903 1.00 0.00 N ATOM 190 CA ASP A 34 0.511 -11.244 12.228 1.00 0.00 C ATOM 191 C ASP A 34 -0.493 -10.743 11.208 1.00 0.00 C ATOM 192 O ASP A 34 -1.703 -10.678 11.455 1.00 0.00 O ATOM 193 CB ASP A 34 0.079 -10.831 13.653 1.00 0.00 C ATOM 194 CG ASP A 34 -0.250 -9.350 13.793 1.00 0.00 C ATOM 195 OD1 ASP A 34 0.583 -8.499 13.433 1.00 0.00 O ATOM 196 OD2 ASP A 34 -1.343 -9.013 14.309 1.00 0.00 O ATOM 0 H ASP A 34 1.817 -9.847 11.371 1.00 0.00 H new ATOM 0 HA ASP A 34 0.552 -12.333 12.198 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.794 -11.416 13.941 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.877 -11.084 14.352 1.00 0.00 H new ATOM 201 N SER A 35 -0.010 -10.403 10.059 1.00 0.00 N ATOM 202 CA SER A 35 -0.862 -9.962 9.013 1.00 0.00 C ATOM 203 C SER A 35 -0.399 -10.513 7.701 1.00 0.00 C ATOM 204 O SER A 35 0.712 -11.026 7.594 1.00 0.00 O ATOM 205 CB SER A 35 -0.884 -8.454 8.943 1.00 0.00 C ATOM 206 OG SER A 35 -1.372 -7.892 10.155 1.00 0.00 O ATOM 0 H SER A 35 0.982 -10.424 9.823 1.00 0.00 H new ATOM 0 HA SER A 35 -1.869 -10.322 9.222 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.121 -8.081 8.745 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.512 -8.135 8.112 1.00 0.00 H new ATOM 0 HG SER A 35 -0.620 -7.560 10.688 1.00 0.00 H new ATOM 212 N CYS A 36 -1.240 -10.423 6.728 1.00 0.00 N ATOM 213 CA CYS A 36 -0.908 -10.841 5.411 1.00 0.00 C ATOM 214 C CYS A 36 -1.117 -9.692 4.482 1.00 0.00 C ATOM 215 O CYS A 36 -2.011 -8.861 4.675 1.00 0.00 O ATOM 216 CB CYS A 36 -1.702 -12.052 5.012 1.00 0.00 C ATOM 217 SG CYS A 36 -0.995 -12.943 3.625 1.00 0.00 S ATOM 0 H CYS A 36 -2.186 -10.054 6.826 1.00 0.00 H new ATOM 0 HA CYS A 36 0.139 -11.140 5.366 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.778 -12.725 5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.716 -11.745 4.758 1.00 0.00 H new ATOM 222 N TYR A 37 -0.246 -9.621 3.554 1.00 0.00 N ATOM 223 CA TYR A 37 -0.095 -8.528 2.672 1.00 0.00 C ATOM 224 C TYR A 37 -0.215 -8.922 1.227 1.00 0.00 C ATOM 225 O TYR A 37 0.241 -9.976 0.833 1.00 0.00 O ATOM 226 CB TYR A 37 1.285 -8.011 2.920 1.00 0.00 C ATOM 227 CG TYR A 37 1.463 -7.361 4.218 1.00 0.00 C ATOM 228 CD1 TYR A 37 1.687 -8.098 5.310 1.00 0.00 C ATOM 229 CD2 TYR A 37 1.434 -6.030 4.324 1.00 0.00 C ATOM 230 CE1 TYR A 37 1.890 -7.548 6.529 1.00 0.00 C ATOM 231 CE2 TYR A 37 1.624 -5.425 5.525 1.00 0.00 C ATOM 232 CZ TYR A 37 1.855 -6.183 6.636 1.00 0.00 C ATOM 233 OH TYR A 37 2.093 -5.568 7.831 1.00 0.00 O ATOM 0 H TYR A 37 0.424 -10.370 3.376 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.879 -7.793 2.854 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.989 -8.839 2.843 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.540 -7.301 2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.707 -9.174 5.216 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.257 -5.428 3.445 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.075 -8.168 7.394 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.592 -4.348 5.600 1.00 0.00 H new ATOM 0 HH TYR A 37 1.903 -4.610 7.749 1.00 0.00 H new ATOM 243 N ILE A 38 -0.844 -8.083 0.455 1.00 0.00 N ATOM 244 CA ILE A 38 -0.938 -8.278 -0.970 1.00 0.00 C ATOM 245 C ILE A 38 -1.039 -6.934 -1.684 1.00 0.00 C ATOM 246 O ILE A 38 -1.722 -6.032 -1.203 1.00 0.00 O ATOM 247 CB ILE A 38 -2.111 -9.212 -1.361 1.00 0.00 C ATOM 248 CG1 ILE A 38 -2.131 -9.449 -2.880 1.00 0.00 C ATOM 249 CG2 ILE A 38 -3.431 -8.655 -0.862 1.00 0.00 C ATOM 250 CD1 ILE A 38 -3.234 -10.359 -3.350 1.00 0.00 C ATOM 0 H ILE A 38 -1.309 -7.241 0.794 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.024 -8.777 -1.293 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.962 -10.178 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.229 -8.488 -3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.173 -9.872 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.241 -9.327 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.401 -8.565 0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.602 -7.673 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.176 -10.472 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.127 -11.335 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.199 -9.929 -3.082 1.00 0.00 H new ATOM 262 N PHE A 39 -0.310 -6.762 -2.770 1.00 0.00 N ATOM 263 CA PHE A 39 -0.456 -5.561 -3.551 1.00 0.00 C ATOM 264 C PHE A 39 -1.210 -5.914 -4.726 1.00 0.00 C ATOM 265 O PHE A 39 -0.833 -6.836 -5.461 1.00 0.00 O ATOM 266 CB PHE A 39 0.835 -5.017 -4.068 1.00 0.00 C ATOM 267 CG PHE A 39 0.832 -3.536 -4.259 1.00 0.00 C ATOM 268 CD1 PHE A 39 0.687 -2.704 -3.190 1.00 0.00 C ATOM 269 CD2 PHE A 39 0.987 -2.985 -5.492 1.00 0.00 C ATOM 270 CE1 PHE A 39 0.684 -1.339 -3.344 1.00 0.00 C ATOM 271 CE2 PHE A 39 0.989 -1.615 -5.654 1.00 0.00 C ATOM 272 CZ PHE A 39 0.834 -0.797 -4.584 1.00 0.00 C ATOM 0 H PHE A 39 0.376 -7.429 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.918 -4.815 -2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.634 -5.283 -3.376 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.065 -5.496 -5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.572 -3.126 -2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.110 -3.626 -6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.563 -0.697 -2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.115 -1.191 -6.639 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.830 0.275 -4.714 1.00 0.00 H new ATOM 282 N LEU A 40 -2.243 -5.265 -4.926 1.00 0.00 N ATOM 283 CA LEU A 40 -2.950 -5.469 -6.054 1.00 0.00 C ATOM 284 C LEU A 40 -3.082 -4.203 -6.789 1.00 0.00 C ATOM 285 O LEU A 40 -3.820 -3.305 -6.384 1.00 0.00 O ATOM 286 CB LEU A 40 -4.283 -6.259 -5.866 1.00 0.00 C ATOM 287 CG LEU A 40 -5.145 -6.085 -4.582 1.00 0.00 C ATOM 288 CD1 LEU A 40 -4.411 -6.555 -3.356 1.00 0.00 C ATOM 289 CD2 LEU A 40 -5.672 -4.669 -4.399 1.00 0.00 C ATOM 0 H LEU A 40 -2.624 -4.563 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.380 -6.158 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.922 -6.014 -6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.040 -7.319 -5.946 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.019 -6.721 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.043 -6.418 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.162 -7.611 -3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.495 -5.977 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.265 -4.617 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.834 -3.975 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.295 -4.400 -5.252 1.00 0.00 H new ATOM 301 N GLN A 41 -2.245 -4.031 -7.762 1.00 0.00 N ATOM 302 CA GLN A 41 -2.433 -2.903 -8.602 1.00 0.00 C ATOM 303 C GLN A 41 -3.682 -3.080 -9.460 1.00 0.00 C ATOM 304 O GLN A 41 -3.656 -3.695 -10.525 1.00 0.00 O ATOM 305 CB GLN A 41 -1.201 -2.591 -9.435 1.00 0.00 C ATOM 306 CG GLN A 41 -0.073 -2.118 -8.584 1.00 0.00 C ATOM 307 CD GLN A 41 1.152 -1.704 -9.335 1.00 0.00 C ATOM 308 OE1 GLN A 41 1.078 -1.249 -10.475 1.00 0.00 O ATOM 309 NE2 GLN A 41 2.306 -1.834 -8.704 1.00 0.00 N ATOM 0 H GLN A 41 -1.454 -4.635 -7.986 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.587 -2.033 -7.963 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.896 -3.482 -9.983 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.444 -1.829 -10.175 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.417 -1.274 -7.986 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.196 -2.913 -7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.330 -2.216 -7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.173 -1.553 -9.163 1.00 0.00 H new ATOM 318 N GLU A 42 -4.762 -2.532 -8.954 1.00 0.00 N ATOM 319 CA GLU A 42 -6.057 -2.515 -9.587 1.00 0.00 C ATOM 320 C GLU A 42 -6.408 -1.076 -9.941 1.00 0.00 C ATOM 321 O GLU A 42 -6.478 -0.212 -9.061 1.00 0.00 O ATOM 322 CB GLU A 42 -7.106 -3.062 -8.612 1.00 0.00 C ATOM 323 CG GLU A 42 -6.928 -4.534 -8.222 1.00 0.00 C ATOM 324 CD GLU A 42 -7.153 -5.483 -9.369 1.00 0.00 C ATOM 325 OE1 GLU A 42 -8.332 -5.755 -9.696 1.00 0.00 O ATOM 326 OE2 GLU A 42 -6.174 -6.009 -9.941 1.00 0.00 O ATOM 0 H GLU A 42 -4.760 -2.065 -8.047 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.040 -3.130 -10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.087 -2.457 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.093 -2.937 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.921 -4.680 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.622 -4.776 -7.417 1.00 0.00 H new ATOM 333 N ALA A 43 -6.607 -0.809 -11.199 1.00 0.00 N ATOM 334 CA ALA A 43 -6.960 0.526 -11.634 1.00 0.00 C ATOM 335 C ALA A 43 -8.454 0.687 -11.532 1.00 0.00 C ATOM 336 O ALA A 43 -9.207 -0.020 -12.205 1.00 0.00 O ATOM 337 CB ALA A 43 -6.513 0.754 -13.065 1.00 0.00 C ATOM 0 H ALA A 43 -6.532 -1.495 -11.950 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.460 1.259 -11.000 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.787 1.762 -13.375 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.432 0.635 -13.132 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.999 0.029 -13.718 1.00 0.00 H new ATOM 343 N ILE A 44 -8.885 1.589 -10.689 1.00 0.00 N ATOM 344 CA ILE A 44 -10.307 1.831 -10.471 1.00 0.00 C ATOM 345 C ILE A 44 -10.546 3.305 -10.252 1.00 0.00 C ATOM 346 O ILE A 44 -9.608 4.057 -9.910 1.00 0.00 O ATOM 347 CB ILE A 44 -10.930 1.080 -9.251 1.00 0.00 C ATOM 348 CG1 ILE A 44 -10.353 1.586 -7.938 1.00 0.00 C ATOM 349 CG2 ILE A 44 -10.776 -0.439 -9.357 1.00 0.00 C ATOM 350 CD1 ILE A 44 -11.160 1.157 -6.750 1.00 0.00 C ATOM 0 H ILE A 44 -8.270 2.181 -10.130 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.790 1.449 -11.370 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.998 1.298 -9.267 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.332 1.221 -7.830 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.301 2.674 -7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.226 -0.912 -8.484 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.275 -0.793 -10.259 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.718 -0.695 -9.403 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.703 1.546 -5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.175 1.544 -6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.190 0.068 -6.704 1.00 0.00 H new ATOM 362 N LYS A 45 -11.748 3.736 -10.519 1.00 0.00 N ATOM 363 CA LYS A 45 -12.151 5.069 -10.245 1.00 0.00 C ATOM 364 C LYS A 45 -12.228 5.235 -8.739 1.00 0.00 C ATOM 365 O LYS A 45 -13.089 4.659 -8.084 1.00 0.00 O ATOM 366 CB LYS A 45 -13.525 5.356 -10.837 1.00 0.00 C ATOM 367 CG LYS A 45 -13.985 6.786 -10.628 1.00 0.00 C ATOM 368 CD LYS A 45 -13.266 7.733 -11.561 1.00 0.00 C ATOM 369 CE LYS A 45 -13.539 9.193 -11.214 1.00 0.00 C ATOM 370 NZ LYS A 45 -14.980 9.490 -11.045 1.00 0.00 N ATOM 0 H LYS A 45 -12.476 3.157 -10.938 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.432 5.759 -10.687 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.504 5.142 -11.906 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.253 4.679 -10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.060 6.853 -10.795 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.804 7.082 -9.595 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.194 7.544 -11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.580 7.539 -12.587 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.012 9.446 -10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.133 9.829 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.154 10.495 -11.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.535 8.903 -11.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.265 9.281 -10.067 1.00 0.00 H new ATOM 384 N VAL A 46 -11.319 5.955 -8.202 1.00 0.00 N ATOM 385 CA VAL A 46 -11.301 6.203 -6.800 1.00 0.00 C ATOM 386 C VAL A 46 -11.951 7.523 -6.523 1.00 0.00 C ATOM 387 O VAL A 46 -11.481 8.573 -6.949 1.00 0.00 O ATOM 388 CB VAL A 46 -9.873 6.179 -6.258 1.00 0.00 C ATOM 389 CG1 VAL A 46 -9.832 6.380 -4.759 1.00 0.00 C ATOM 390 CG2 VAL A 46 -9.223 4.887 -6.640 1.00 0.00 C ATOM 0 H VAL A 46 -10.558 6.395 -8.720 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.857 5.415 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.323 7.010 -6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.797 6.356 -4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.274 7.344 -4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.395 5.585 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.203 4.865 -6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.788 4.056 -6.217 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.203 4.797 -7.726 1.00 0.00 H new ATOM 400 N GLU A 47 -13.052 7.452 -5.893 1.00 0.00 N ATOM 401 CA GLU A 47 -13.797 8.607 -5.507 1.00 0.00 C ATOM 402 C GLU A 47 -13.231 9.136 -4.199 1.00 0.00 C ATOM 403 O GLU A 47 -13.038 10.334 -4.018 1.00 0.00 O ATOM 404 CB GLU A 47 -15.251 8.220 -5.326 1.00 0.00 C ATOM 405 CG GLU A 47 -15.915 7.725 -6.545 1.00 0.00 C ATOM 406 CD GLU A 47 -16.147 8.786 -7.592 1.00 0.00 C ATOM 407 OE1 GLU A 47 -17.209 9.436 -7.572 1.00 0.00 O ATOM 408 OE2 GLU A 47 -15.283 8.983 -8.459 1.00 0.00 O ATOM 0 H GLU A 47 -13.485 6.570 -5.617 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.727 9.380 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.315 7.451 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.800 9.086 -4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.310 6.928 -6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.873 7.284 -6.271 1.00 0.00 H new ATOM 415 N SER A 48 -12.919 8.219 -3.332 1.00 0.00 N ATOM 416 CA SER A 48 -12.413 8.494 -2.032 1.00 0.00 C ATOM 417 C SER A 48 -11.475 7.406 -1.668 1.00 0.00 C ATOM 418 O SER A 48 -11.484 6.379 -2.314 1.00 0.00 O ATOM 419 CB SER A 48 -13.551 8.542 -1.042 1.00 0.00 C ATOM 420 OG SER A 48 -14.362 9.694 -1.245 1.00 0.00 O ATOM 0 H SER A 48 -13.016 7.222 -3.524 1.00 0.00 H new ATOM 0 HA SER A 48 -11.901 9.456 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.160 7.643 -1.140 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.153 8.548 -0.027 1.00 0.00 H new ATOM 0 HG SER A 48 -13.937 10.471 -0.826 1.00 0.00 H new ATOM 426 N ILE A 49 -10.680 7.585 -0.640 1.00 0.00 N ATOM 427 CA ILE A 49 -9.750 6.574 -0.260 1.00 0.00 C ATOM 428 C ILE A 49 -10.482 5.291 0.194 1.00 0.00 C ATOM 429 O ILE A 49 -9.965 4.210 0.143 1.00 0.00 O ATOM 430 CB ILE A 49 -8.766 7.076 0.783 1.00 0.00 C ATOM 431 CG1 ILE A 49 -7.710 6.055 1.026 1.00 0.00 C ATOM 432 CG2 ILE A 49 -9.477 7.380 2.027 1.00 0.00 C ATOM 433 CD1 ILE A 49 -6.561 6.553 1.904 1.00 0.00 C ATOM 0 H ILE A 49 -10.666 8.423 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.160 6.316 -1.140 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.289 7.985 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.163 5.182 1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.307 5.727 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.768 7.740 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.227 8.148 1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.966 6.478 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.831 5.754 2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.081 7.407 1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.950 6.853 2.877 1.00 0.00 H new ATOM 445 N GLU A 50 -11.684 5.456 0.582 1.00 0.00 N ATOM 446 CA GLU A 50 -12.581 4.334 0.869 1.00 0.00 C ATOM 447 C GLU A 50 -12.725 3.437 -0.396 1.00 0.00 C ATOM 448 O GLU A 50 -12.784 2.231 -0.298 1.00 0.00 O ATOM 449 CB GLU A 50 -13.958 4.838 1.268 1.00 0.00 C ATOM 450 CG GLU A 50 -14.042 5.606 2.577 1.00 0.00 C ATOM 451 CD GLU A 50 -14.063 4.718 3.803 1.00 0.00 C ATOM 452 OE1 GLU A 50 -15.053 3.976 3.983 1.00 0.00 O ATOM 453 OE2 GLU A 50 -13.147 4.790 4.627 1.00 0.00 O ATOM 0 H GLU A 50 -12.109 6.373 0.721 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.155 3.759 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.331 5.480 0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.631 3.982 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.192 6.285 2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.941 6.222 2.570 1.00 0.00 H new ATOM 460 N ASP A 51 -12.704 4.052 -1.569 1.00 0.00 N ATOM 461 CA ASP A 51 -12.856 3.368 -2.835 1.00 0.00 C ATOM 462 C ASP A 51 -11.686 2.498 -3.133 1.00 0.00 C ATOM 463 O ASP A 51 -11.822 1.421 -3.666 1.00 0.00 O ATOM 464 CB ASP A 51 -12.993 4.373 -3.952 1.00 0.00 C ATOM 465 CG ASP A 51 -14.324 5.040 -3.999 1.00 0.00 C ATOM 466 OD1 ASP A 51 -14.611 5.851 -3.121 1.00 0.00 O ATOM 467 OD2 ASP A 51 -15.113 4.752 -4.909 1.00 0.00 O ATOM 0 H ASP A 51 -12.578 5.060 -1.664 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.750 2.749 -2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.220 5.133 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.814 3.872 -4.903 1.00 0.00 H new ATOM 472 N VAL A 52 -10.550 2.949 -2.746 1.00 0.00 N ATOM 473 CA VAL A 52 -9.333 2.262 -3.022 1.00 0.00 C ATOM 474 C VAL A 52 -9.082 1.246 -1.977 1.00 0.00 C ATOM 475 O VAL A 52 -8.582 0.168 -2.234 1.00 0.00 O ATOM 476 CB VAL A 52 -8.162 3.248 -3.122 1.00 0.00 C ATOM 477 CG1 VAL A 52 -8.256 4.350 -2.151 1.00 0.00 C ATOM 478 CG2 VAL A 52 -6.816 2.564 -3.145 1.00 0.00 C ATOM 0 H VAL A 52 -10.432 3.816 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.424 1.757 -3.984 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.250 3.725 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.400 5.014 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.176 4.909 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.262 3.944 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.028 3.314 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.686 1.987 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.761 1.897 -4.005 1.00 0.00 H new ATOM 488 N ARG A 53 -9.517 1.564 -0.822 1.00 0.00 N ATOM 489 CA ARG A 53 -9.347 0.740 0.295 1.00 0.00 C ATOM 490 C ARG A 53 -10.264 -0.509 0.127 1.00 0.00 C ATOM 491 O ARG A 53 -10.006 -1.589 0.672 1.00 0.00 O ATOM 492 CB ARG A 53 -9.587 1.641 1.536 1.00 0.00 C ATOM 493 CG ARG A 53 -10.943 1.823 2.029 1.00 0.00 C ATOM 494 CD ARG A 53 -11.356 0.628 2.786 1.00 0.00 C ATOM 495 NE ARG A 53 -12.128 0.938 3.972 1.00 0.00 N ATOM 496 CZ ARG A 53 -13.402 0.576 4.185 1.00 0.00 C ATOM 497 NH1 ARG A 53 -14.101 -0.022 3.226 1.00 0.00 N ATOM 498 NH2 ARG A 53 -13.978 0.826 5.350 1.00 0.00 N ATOM 0 H ARG A 53 -10.016 2.432 -0.626 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.351 0.316 0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.992 1.237 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.186 2.628 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.994 2.706 2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.625 1.992 1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.945 -0.019 2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.468 0.066 3.076 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.665 1.475 4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.669 -0.209 2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.069 -0.295 3.395 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.453 1.295 6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.947 0.550 5.510 1.00 0.00 H new ATOM 512 N ASN A 54 -11.279 -0.324 -0.708 1.00 0.00 N ATOM 513 CA ASN A 54 -12.226 -1.370 -1.129 1.00 0.00 C ATOM 514 C ASN A 54 -11.522 -2.498 -1.834 1.00 0.00 C ATOM 515 O ASN A 54 -11.932 -3.653 -1.734 1.00 0.00 O ATOM 516 CB ASN A 54 -13.268 -0.816 -2.091 1.00 0.00 C ATOM 517 CG ASN A 54 -14.371 -0.034 -1.433 1.00 0.00 C ATOM 518 OD1 ASN A 54 -14.729 -0.284 -0.285 1.00 0.00 O ATOM 519 ND2 ASN A 54 -14.948 0.887 -2.158 1.00 0.00 N ATOM 0 H ASN A 54 -11.479 0.583 -1.129 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.703 -1.733 -0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.769 -0.175 -2.818 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.708 -1.644 -2.646 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.724 1.427 -1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.623 1.066 -3.108 1.00 0.00 H new ATOM 526 N GLN A 55 -10.446 -2.167 -2.537 1.00 0.00 N ATOM 527 CA GLN A 55 -9.672 -3.142 -3.289 1.00 0.00 C ATOM 528 C GLN A 55 -9.145 -4.210 -2.361 1.00 0.00 C ATOM 529 O GLN A 55 -9.035 -5.379 -2.726 1.00 0.00 O ATOM 530 CB GLN A 55 -8.516 -2.467 -4.007 1.00 0.00 C ATOM 531 CG GLN A 55 -8.942 -1.378 -4.960 1.00 0.00 C ATOM 532 CD GLN A 55 -7.767 -0.661 -5.611 1.00 0.00 C ATOM 533 OE1 GLN A 55 -6.697 -1.223 -5.808 1.00 0.00 O ATOM 534 NE2 GLN A 55 -7.969 0.587 -5.950 1.00 0.00 N ATOM 0 H GLN A 55 -10.087 -1.214 -2.601 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.324 -3.601 -4.032 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.838 -2.043 -3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.954 -3.220 -4.559 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.572 -1.810 -5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.551 -0.651 -4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.873 1.024 -5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.222 1.122 -6.393 1.00 0.00 H new ATOM 543 N CYS A 56 -8.868 -3.822 -1.155 1.00 0.00 N ATOM 544 CA CYS A 56 -8.394 -4.720 -0.192 1.00 0.00 C ATOM 545 C CYS A 56 -9.511 -5.472 0.459 1.00 0.00 C ATOM 546 O CYS A 56 -9.422 -6.698 0.634 1.00 0.00 O ATOM 547 CB CYS A 56 -7.577 -3.996 0.817 1.00 0.00 C ATOM 548 SG CYS A 56 -6.150 -3.191 0.100 1.00 0.00 S ATOM 0 H CYS A 56 -8.971 -2.862 -0.825 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.764 -5.456 -0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.198 -3.251 1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.247 -4.698 1.583 1.00 0.00 H new ATOM 553 N THR A 57 -10.595 -4.779 0.760 1.00 0.00 N ATOM 554 CA THR A 57 -11.732 -5.387 1.434 1.00 0.00 C ATOM 555 C THR A 57 -12.393 -6.429 0.561 1.00 0.00 C ATOM 556 O THR A 57 -13.065 -7.329 1.036 1.00 0.00 O ATOM 557 CB THR A 57 -12.733 -4.330 1.929 1.00 0.00 C ATOM 558 OG1 THR A 57 -13.229 -3.544 0.829 1.00 0.00 O ATOM 559 CG2 THR A 57 -12.043 -3.405 2.906 1.00 0.00 C ATOM 0 H THR A 57 -10.713 -3.788 0.547 1.00 0.00 H new ATOM 0 HA THR A 57 -11.354 -5.899 2.319 1.00 0.00 H new ATOM 0 HB THR A 57 -13.566 -4.843 2.409 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.744 -3.782 0.012 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.751 -2.655 3.258 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.673 -3.982 3.754 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.207 -2.911 2.411 1.00 0.00 H new ATOM 567 N ASP A 58 -12.101 -6.334 -0.721 1.00 0.00 N ATOM 568 CA ASP A 58 -12.574 -7.296 -1.730 1.00 0.00 C ATOM 569 C ASP A 58 -11.984 -8.679 -1.451 1.00 0.00 C ATOM 570 O ASP A 58 -12.534 -9.708 -1.836 1.00 0.00 O ATOM 571 CB ASP A 58 -12.172 -6.835 -3.142 1.00 0.00 C ATOM 572 CG ASP A 58 -12.676 -7.762 -4.236 1.00 0.00 C ATOM 573 OD1 ASP A 58 -13.901 -7.787 -4.485 1.00 0.00 O ATOM 574 OD2 ASP A 58 -11.856 -8.461 -4.881 1.00 0.00 O ATOM 0 H ASP A 58 -11.525 -5.586 -1.107 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.661 -7.351 -1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.562 -5.832 -3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.086 -6.769 -3.201 1.00 0.00 H new ATOM 579 N HIS A 59 -10.875 -8.689 -0.734 1.00 0.00 N ATOM 580 CA HIS A 59 -10.183 -9.916 -0.402 1.00 0.00 C ATOM 581 C HIS A 59 -10.329 -10.193 1.079 1.00 0.00 C ATOM 582 O HIS A 59 -9.676 -11.083 1.617 1.00 0.00 O ATOM 583 CB HIS A 59 -8.683 -9.837 -0.738 1.00 0.00 C ATOM 584 CG HIS A 59 -8.338 -9.522 -2.170 1.00 0.00 C ATOM 585 ND1 HIS A 59 -8.317 -8.344 -2.817 1.00 0.00 N flip ATOM 586 CD2 HIS A 59 -7.912 -10.456 -3.088 1.00 0.00 C flip ATOM 587 CE1 HIS A 59 -7.891 -8.570 -4.087 1.00 0.00 C flip ATOM 588 NE2 HIS A 59 -7.648 -9.846 -4.233 1.00 0.00 N flip ATOM 0 H HIS A 59 -10.431 -7.847 -0.367 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.629 -10.715 -0.994 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -8.229 -9.078 -0.101 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.223 -10.790 -0.476 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -8.576 -7.439 -2.423 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.810 -11.515 -2.904 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.772 -7.817 -4.852 1.00 0.00 H new ATOM 597 N GLY A 60 -11.189 -9.427 1.739 1.00 0.00 N ATOM 598 CA GLY A 60 -11.356 -9.561 3.174 1.00 0.00 C ATOM 599 C GLY A 60 -10.217 -8.905 3.929 1.00 0.00 C ATOM 600 O GLY A 60 -10.010 -9.145 5.122 1.00 0.00 O ATOM 0 H GLY A 60 -11.775 -8.714 1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.301 -9.110 3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.409 -10.617 3.438 1.00 0.00 H new ATOM 604 N ALA A 61 -9.494 -8.079 3.233 1.00 0.00 N ATOM 605 CA ALA A 61 -8.341 -7.395 3.774 1.00 0.00 C ATOM 606 C ALA A 61 -8.676 -5.933 3.885 1.00 0.00 C ATOM 607 O ALA A 61 -9.772 -5.550 3.564 1.00 0.00 O ATOM 608 CB ALA A 61 -7.134 -7.597 2.858 1.00 0.00 C ATOM 0 H ALA A 61 -9.686 -7.853 2.257 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.089 -7.795 4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.271 -7.078 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.913 -8.661 2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.357 -7.196 1.869 1.00 0.00 H new ATOM 614 N ASP A 62 -7.774 -5.136 4.341 1.00 0.00 N ATOM 615 CA ASP A 62 -7.992 -3.699 4.380 1.00 0.00 C ATOM 616 C ASP A 62 -6.672 -3.072 3.999 1.00 0.00 C ATOM 617 O ASP A 62 -5.698 -3.806 3.845 1.00 0.00 O ATOM 618 CB ASP A 62 -8.466 -3.216 5.754 1.00 0.00 C ATOM 619 CG ASP A 62 -9.311 -1.958 5.649 1.00 0.00 C ATOM 620 OD1 ASP A 62 -8.941 -1.034 4.909 1.00 0.00 O ATOM 621 OD2 ASP A 62 -10.404 -1.917 6.270 1.00 0.00 O ATOM 0 H ASP A 62 -6.868 -5.439 4.698 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.787 -3.412 3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.045 -4.004 6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.602 -3.021 6.389 1.00 0.00 H new ATOM 626 N MET A 63 -6.617 -1.789 3.765 1.00 0.00 N ATOM 627 CA MET A 63 -5.351 -1.175 3.355 1.00 0.00 C ATOM 628 C MET A 63 -4.281 -1.296 4.442 1.00 0.00 C ATOM 629 O MET A 63 -4.585 -1.425 5.643 1.00 0.00 O ATOM 630 CB MET A 63 -5.483 0.291 2.873 1.00 0.00 C ATOM 631 CG MET A 63 -6.264 0.469 1.596 1.00 0.00 C ATOM 632 SD MET A 63 -6.375 2.204 1.046 1.00 0.00 S ATOM 633 CE MET A 63 -4.666 2.612 0.664 1.00 0.00 C ATOM 0 H MET A 63 -7.406 -1.148 3.844 1.00 0.00 H new ATOM 0 HA MET A 63 -5.031 -1.749 2.486 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.961 0.875 3.659 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.484 0.704 2.732 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.798 -0.124 0.809 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.271 0.076 1.738 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.498 3.675 0.838 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.002 2.030 1.303 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.461 2.379 -0.381 1.00 0.00 H new ATOM 643 N ILE A 64 -3.058 -1.358 3.978 1.00 0.00 N ATOM 644 CA ILE A 64 -1.827 -1.415 4.777 1.00 0.00 C ATOM 645 C ILE A 64 -1.829 -0.439 5.994 1.00 0.00 C ATOM 646 O ILE A 64 -2.356 0.652 5.928 1.00 0.00 O ATOM 647 CB ILE A 64 -0.621 -1.093 3.851 1.00 0.00 C ATOM 648 CG1 ILE A 64 0.618 -0.749 4.664 1.00 0.00 C ATOM 649 CG2 ILE A 64 -0.969 -0.008 2.836 1.00 0.00 C ATOM 650 CD1 ILE A 64 1.762 -0.213 3.862 1.00 0.00 C ATOM 0 H ILE A 64 -2.868 -1.372 2.976 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.754 -2.420 5.192 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.388 -1.991 3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.347 -0.014 5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.949 -1.643 5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.103 0.192 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.800 -0.343 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.253 0.904 3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.600 0.004 4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.066 -0.953 3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.454 0.701 3.355 1.00 0.00 H new ATOM 662 N SER A 65 -1.226 -0.845 7.088 1.00 0.00 N ATOM 663 CA SER A 65 -1.159 -0.024 8.273 1.00 0.00 C ATOM 664 C SER A 65 0.109 -0.325 9.068 1.00 0.00 C ATOM 665 O SER A 65 0.330 -1.450 9.514 1.00 0.00 O ATOM 666 CB SER A 65 -2.419 -0.186 9.116 1.00 0.00 C ATOM 667 OG SER A 65 -3.575 0.249 8.390 1.00 0.00 O ATOM 0 H SER A 65 -0.769 -1.752 7.180 1.00 0.00 H new ATOM 0 HA SER A 65 -1.108 1.022 7.970 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.537 -1.230 9.405 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.323 0.391 10.036 1.00 0.00 H new ATOM 0 HG SER A 65 -3.302 0.581 7.509 1.00 0.00 H new ATOM 673 N ILE A 66 0.883 0.710 9.284 1.00 0.00 N ATOM 674 CA ILE A 66 2.212 0.618 9.839 1.00 0.00 C ATOM 675 C ILE A 66 2.248 0.952 11.311 1.00 0.00 C ATOM 676 O ILE A 66 1.779 2.005 11.748 1.00 0.00 O ATOM 677 CB ILE A 66 3.138 1.588 9.079 1.00 0.00 C ATOM 678 CG1 ILE A 66 3.048 1.261 7.584 1.00 0.00 C ATOM 679 CG2 ILE A 66 4.548 1.482 9.604 1.00 0.00 C ATOM 680 CD1 ILE A 66 3.899 2.066 6.652 1.00 0.00 C ATOM 0 H ILE A 66 0.598 1.666 9.073 1.00 0.00 H new ATOM 0 HA ILE A 66 2.546 -0.414 9.729 1.00 0.00 H new ATOM 0 HB ILE A 66 2.826 2.621 9.231 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.305 0.210 7.453 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.009 1.376 7.276 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.192 2.172 9.059 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.561 1.734 10.664 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.911 0.463 9.469 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.736 1.729 5.628 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.632 3.120 6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.949 1.936 6.914 1.00 0.00 H new ATOM 692 N HIS A 67 2.780 0.044 12.078 1.00 0.00 N ATOM 693 CA HIS A 67 2.973 0.270 13.489 1.00 0.00 C ATOM 694 C HIS A 67 4.444 0.135 13.827 1.00 0.00 C ATOM 695 O HIS A 67 4.832 0.183 14.995 1.00 0.00 O ATOM 696 CB HIS A 67 2.129 -0.691 14.336 1.00 0.00 C ATOM 697 CG HIS A 67 0.649 -0.525 14.160 1.00 0.00 C ATOM 698 ND1 HIS A 67 -0.155 0.057 15.095 1.00 0.00 N ATOM 699 CD2 HIS A 67 -0.166 -0.872 13.135 1.00 0.00 C ATOM 700 CE1 HIS A 67 -1.388 0.072 14.667 1.00 0.00 C ATOM 701 NE2 HIS A 67 -1.434 -0.492 13.473 1.00 0.00 N ATOM 0 H HIS A 67 3.092 -0.870 11.749 1.00 0.00 H new ATOM 0 HA HIS A 67 2.641 1.281 13.725 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.401 -1.716 14.083 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.377 -0.545 15.387 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.132 -1.360 12.219 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.233 0.479 15.202 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.270 -0.621 12.903 1.00 0.00 H new ATOM 710 N ASN A 68 5.285 0.013 12.792 1.00 0.00 N ATOM 711 CA ASN A 68 6.729 -0.120 12.978 1.00 0.00 C ATOM 712 C ASN A 68 7.463 0.056 11.718 1.00 0.00 C ATOM 713 O ASN A 68 6.904 -0.074 10.645 1.00 0.00 O ATOM 714 CB ASN A 68 7.172 -1.454 13.609 1.00 0.00 C ATOM 715 CG ASN A 68 6.317 -2.656 13.280 1.00 0.00 C ATOM 716 OD1 ASN A 68 6.527 -3.314 12.280 1.00 0.00 O ATOM 717 ND2 ASN A 68 5.383 -2.975 14.142 1.00 0.00 N ATOM 0 H ASN A 68 4.986 0.004 11.817 1.00 0.00 H new ATOM 0 HA ASN A 68 6.973 0.678 13.679 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.194 -1.662 13.292 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.192 -1.332 14.692 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.804 -3.800 13.984 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.235 -2.399 14.971 1.00 0.00 H new ATOM 724 N GLU A 69 8.746 0.333 11.845 1.00 0.00 N ATOM 725 CA GLU A 69 9.596 0.468 10.727 1.00 0.00 C ATOM 726 C GLU A 69 9.791 -0.865 10.097 1.00 0.00 C ATOM 727 O GLU A 69 10.124 -0.939 8.933 1.00 0.00 O ATOM 728 CB GLU A 69 10.929 1.087 11.099 1.00 0.00 C ATOM 729 CG GLU A 69 11.752 0.288 12.067 1.00 0.00 C ATOM 730 CD GLU A 69 12.978 1.024 12.540 1.00 0.00 C ATOM 731 OE1 GLU A 69 14.004 1.021 11.833 1.00 0.00 O ATOM 732 OE2 GLU A 69 12.952 1.624 13.628 1.00 0.00 O ATOM 0 H GLU A 69 9.211 0.468 12.743 1.00 0.00 H new ATOM 0 HA GLU A 69 9.123 1.145 10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.510 1.236 10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.748 2.073 11.527 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.138 0.025 12.928 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.055 -0.646 11.594 1.00 0.00 H new ATOM 739 N GLU A 70 9.544 -1.935 10.868 1.00 0.00 N ATOM 740 CA GLU A 70 9.619 -3.213 10.348 1.00 0.00 C ATOM 741 C GLU A 70 8.572 -3.376 9.274 1.00 0.00 C ATOM 742 O GLU A 70 8.894 -3.807 8.194 1.00 0.00 O ATOM 743 CB GLU A 70 9.445 -4.204 11.442 1.00 0.00 C ATOM 744 CG GLU A 70 10.697 -4.945 11.802 1.00 0.00 C ATOM 745 CD GLU A 70 11.279 -5.673 10.618 1.00 0.00 C ATOM 746 OE1 GLU A 70 10.858 -6.811 10.325 1.00 0.00 O ATOM 747 OE2 GLU A 70 12.167 -5.111 9.946 1.00 0.00 O ATOM 0 H GLU A 70 9.293 -1.888 11.855 1.00 0.00 H new ATOM 0 HA GLU A 70 10.596 -3.383 9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.073 -3.689 12.328 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.682 -4.924 11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.433 -4.244 12.195 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.481 -5.659 12.597 1.00 0.00 H new ATOM 754 N GLU A 71 7.333 -2.979 9.589 1.00 0.00 N ATOM 755 CA GLU A 71 6.216 -2.966 8.634 1.00 0.00 C ATOM 756 C GLU A 71 6.618 -2.065 7.489 1.00 0.00 C ATOM 757 O GLU A 71 6.774 -2.523 6.396 1.00 0.00 O ATOM 758 CB GLU A 71 4.957 -2.378 9.317 1.00 0.00 C ATOM 759 CG GLU A 71 3.566 -2.794 8.789 1.00 0.00 C ATOM 760 CD GLU A 71 3.170 -2.373 7.463 1.00 0.00 C ATOM 761 OE1 GLU A 71 3.743 -1.454 6.962 1.00 0.00 O ATOM 762 OE2 GLU A 71 2.152 -2.925 6.976 1.00 0.00 O ATOM 0 H GLU A 71 7.075 -2.655 10.521 1.00 0.00 H new ATOM 0 HA GLU A 71 5.994 -3.975 8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.001 -2.640 10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.023 -1.292 9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.513 -3.882 8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.821 -2.419 9.491 1.00 0.00 H new ATOM 769 N ASN A 72 6.957 -0.814 7.817 1.00 0.00 N ATOM 770 CA ASN A 72 7.217 0.228 6.840 1.00 0.00 C ATOM 771 C ASN A 72 8.235 -0.222 5.813 1.00 0.00 C ATOM 772 O ASN A 72 7.997 -0.215 4.606 1.00 0.00 O ATOM 773 CB ASN A 72 7.761 1.467 7.558 1.00 0.00 C ATOM 774 CG ASN A 72 8.085 2.592 6.615 1.00 0.00 C ATOM 775 OD1 ASN A 72 7.263 3.408 6.343 1.00 0.00 O ATOM 776 ND2 ASN A 72 9.292 2.628 6.113 1.00 0.00 N ATOM 0 H ASN A 72 7.058 -0.501 8.783 1.00 0.00 H new ATOM 0 HA ASN A 72 6.282 0.455 6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.027 1.810 8.287 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.659 1.195 8.113 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.553 3.372 5.466 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.972 1.912 6.368 1.00 0.00 H new ATOM 783 N ALA A 73 9.353 -0.654 6.313 1.00 0.00 N ATOM 784 CA ALA A 73 10.457 -1.039 5.495 1.00 0.00 C ATOM 785 C ALA A 73 10.246 -2.433 4.859 1.00 0.00 C ATOM 786 O ALA A 73 10.878 -2.770 3.850 1.00 0.00 O ATOM 787 CB ALA A 73 11.723 -0.931 6.306 1.00 0.00 C ATOM 0 H ALA A 73 9.524 -0.749 7.314 1.00 0.00 H new ATOM 0 HA ALA A 73 10.542 -0.360 4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.575 -1.223 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.853 0.098 6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.658 -1.590 7.172 1.00 0.00 H new ATOM 793 N PHE A 74 9.344 -3.221 5.438 1.00 0.00 N ATOM 794 CA PHE A 74 8.920 -4.505 4.869 1.00 0.00 C ATOM 795 C PHE A 74 8.244 -4.244 3.565 1.00 0.00 C ATOM 796 O PHE A 74 8.671 -4.714 2.529 1.00 0.00 O ATOM 797 CB PHE A 74 7.898 -5.173 5.799 1.00 0.00 C ATOM 798 CG PHE A 74 7.041 -6.186 5.240 1.00 0.00 C ATOM 799 CD1 PHE A 74 7.498 -7.414 4.819 1.00 0.00 C ATOM 800 CD2 PHE A 74 5.756 -5.897 5.149 1.00 0.00 C ATOM 801 CE1 PHE A 74 6.607 -8.324 4.303 1.00 0.00 C ATOM 802 CE2 PHE A 74 4.887 -6.739 4.663 1.00 0.00 C ATOM 803 CZ PHE A 74 5.278 -7.976 4.222 1.00 0.00 C ATOM 0 H PHE A 74 8.883 -2.990 6.318 1.00 0.00 H new ATOM 0 HA PHE A 74 9.790 -5.150 4.744 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.444 -5.618 6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.264 -4.391 6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.547 -7.660 4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.413 -4.931 5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.943 -9.294 3.967 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.846 -6.458 4.607 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.554 -8.668 3.817 1.00 0.00 H new ATOM 813 N ILE A 75 7.263 -3.372 3.649 1.00 0.00 N ATOM 814 CA ILE A 75 6.303 -3.034 2.591 1.00 0.00 C ATOM 815 C ILE A 75 7.059 -2.548 1.462 1.00 0.00 C ATOM 816 O ILE A 75 6.885 -2.966 0.332 1.00 0.00 O ATOM 817 CB ILE A 75 5.413 -1.875 3.087 1.00 0.00 C ATOM 818 CG1 ILE A 75 4.788 -2.202 4.391 1.00 0.00 C ATOM 819 CG2 ILE A 75 4.351 -1.523 2.131 1.00 0.00 C ATOM 820 CD1 ILE A 75 3.837 -3.334 4.375 1.00 0.00 C ATOM 0 H ILE A 75 7.094 -2.842 4.504 1.00 0.00 H new ATOM 0 HA ILE A 75 5.696 -3.900 2.329 1.00 0.00 H new ATOM 0 HB ILE A 75 6.077 -1.017 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.579 -2.425 5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.267 -1.317 4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.757 -0.702 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.799 -1.217 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.709 -2.388 1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.438 -3.488 5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.019 -3.112 3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.352 -4.237 4.046 1.00 0.00 H new ATOM 832 N LEU A 76 7.964 -1.753 1.832 1.00 0.00 N ATOM 833 CA LEU A 76 8.824 -1.066 1.010 1.00 0.00 C ATOM 834 C LEU A 76 9.539 -1.973 0.031 1.00 0.00 C ATOM 835 O LEU A 76 9.509 -1.757 -1.142 1.00 0.00 O ATOM 836 CB LEU A 76 9.800 -0.377 1.894 1.00 0.00 C ATOM 837 CG LEU A 76 10.034 1.013 1.502 1.00 0.00 C ATOM 838 CD1 LEU A 76 8.853 1.787 1.935 1.00 0.00 C ATOM 839 CD2 LEU A 76 11.299 1.602 2.020 1.00 0.00 C ATOM 0 H LEU A 76 8.130 -1.553 2.818 1.00 0.00 H new ATOM 0 HA LEU A 76 8.263 -0.357 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.436 -0.404 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.745 -0.919 1.877 1.00 0.00 H new ATOM 0 HG LEU A 76 10.164 1.049 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.984 2.834 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.961 1.394 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.741 1.705 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.387 2.633 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.291 1.580 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.147 1.025 1.651 1.00 0.00 H new ATOM 851 N ASP A 77 10.143 -2.986 0.518 1.00 0.00 N ATOM 852 CA ASP A 77 10.875 -3.908 -0.354 1.00 0.00 C ATOM 853 C ASP A 77 9.976 -4.940 -0.910 1.00 0.00 C ATOM 854 O ASP A 77 10.094 -5.300 -2.064 1.00 0.00 O ATOM 855 CB ASP A 77 11.953 -4.587 0.425 1.00 0.00 C ATOM 856 CG ASP A 77 12.803 -5.502 -0.412 1.00 0.00 C ATOM 857 OD1 ASP A 77 13.612 -5.005 -1.227 1.00 0.00 O ATOM 858 OD2 ASP A 77 12.689 -6.722 -0.279 1.00 0.00 O ATOM 0 H ASP A 77 10.164 -3.225 1.509 1.00 0.00 H new ATOM 0 HA ASP A 77 11.302 -3.329 -1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.589 -3.832 0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.501 -5.161 1.234 1.00 0.00 H new ATOM 863 N THR A 78 9.008 -5.294 -0.130 1.00 0.00 N ATOM 864 CA THR A 78 8.153 -6.418 -0.383 1.00 0.00 C ATOM 865 C THR A 78 7.291 -6.168 -1.557 1.00 0.00 C ATOM 866 O THR A 78 6.966 -7.082 -2.339 1.00 0.00 O ATOM 867 CB THR A 78 7.348 -6.726 0.870 1.00 0.00 C ATOM 868 OG1 THR A 78 8.237 -7.247 1.857 1.00 0.00 O ATOM 869 CG2 THR A 78 6.216 -7.672 0.627 1.00 0.00 C ATOM 0 H THR A 78 8.779 -4.796 0.730 1.00 0.00 H new ATOM 0 HA THR A 78 8.756 -7.294 -0.623 1.00 0.00 H new ATOM 0 HB THR A 78 6.888 -5.800 1.213 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.736 -7.447 2.675 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.683 -7.849 1.561 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.533 -7.241 -0.105 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.606 -8.616 0.247 1.00 0.00 H new ATOM 877 N LEU A 79 6.996 -4.936 -1.704 1.00 0.00 N ATOM 878 CA LEU A 79 6.232 -4.455 -2.732 1.00 0.00 C ATOM 879 C LEU A 79 6.854 -4.848 -4.073 1.00 0.00 C ATOM 880 O LEU A 79 6.243 -5.498 -4.891 1.00 0.00 O ATOM 881 CB LEU A 79 6.204 -2.973 -2.603 1.00 0.00 C ATOM 882 CG LEU A 79 4.881 -2.324 -2.786 1.00 0.00 C ATOM 883 CD1 LEU A 79 4.098 -2.991 -3.879 1.00 0.00 C ATOM 884 CD2 LEU A 79 4.122 -2.315 -1.456 1.00 0.00 C ATOM 0 H LEU A 79 7.311 -4.211 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 79 5.224 -4.868 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.582 -2.708 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.896 -2.552 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 79 5.030 -1.290 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.134 -2.495 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.651 -2.924 -4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.939 -4.039 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.152 -1.838 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.977 -3.339 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.696 -1.761 -0.713 1.00 0.00 H new ATOM 896 N LYS A 80 8.062 -4.428 -4.248 1.00 0.00 N ATOM 897 CA LYS A 80 8.852 -4.735 -5.430 1.00 0.00 C ATOM 898 C LYS A 80 9.302 -6.193 -5.490 1.00 0.00 C ATOM 899 O LYS A 80 9.268 -6.813 -6.548 1.00 0.00 O ATOM 900 CB LYS A 80 10.048 -3.844 -5.464 1.00 0.00 C ATOM 901 CG LYS A 80 9.666 -2.423 -5.409 1.00 0.00 C ATOM 902 CD LYS A 80 9.863 -1.903 -4.034 1.00 0.00 C ATOM 903 CE LYS A 80 11.353 -1.691 -3.687 1.00 0.00 C ATOM 904 NZ LYS A 80 12.178 -2.917 -3.548 1.00 0.00 N ATOM 0 H LYS A 80 8.553 -3.848 -3.568 1.00 0.00 H new ATOM 0 HA LYS A 80 8.213 -4.566 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.701 -4.079 -4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.618 -4.033 -6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.266 -1.848 -6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.624 -2.305 -5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.331 -0.958 -3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.423 -2.599 -3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.798 -1.065 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.410 -1.133 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.963 -2.735 -2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.590 -3.691 -3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.561 -3.185 -4.477 1.00 0.00 H new ATOM 918 N LYS A 81 9.752 -6.722 -4.355 1.00 0.00 N ATOM 919 CA LYS A 81 10.237 -8.048 -4.240 1.00 0.00 C ATOM 920 C LYS A 81 9.238 -9.126 -4.747 1.00 0.00 C ATOM 921 O LYS A 81 9.641 -10.068 -5.432 1.00 0.00 O ATOM 922 CB LYS A 81 10.689 -8.276 -2.803 1.00 0.00 C ATOM 923 CG LYS A 81 9.690 -8.908 -1.945 1.00 0.00 C ATOM 924 CD LYS A 81 10.165 -9.017 -0.504 1.00 0.00 C ATOM 925 CE LYS A 81 11.299 -9.970 -0.404 1.00 0.00 C ATOM 926 NZ LYS A 81 11.626 -10.283 1.004 1.00 0.00 N ATOM 0 H LYS A 81 9.780 -6.204 -3.477 1.00 0.00 H new ATOM 0 HA LYS A 81 11.092 -8.164 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.586 -8.896 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.969 -7.317 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.765 -8.332 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.460 -9.903 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.472 -8.036 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.345 -9.350 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.050 -10.890 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.175 -9.547 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.422 -10.951 1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.888 -9.409 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.798 -10.710 1.466 1.00 0.00 H new ATOM 940 N GLN A 82 7.963 -8.991 -4.410 1.00 0.00 N ATOM 941 CA GLN A 82 6.957 -9.956 -4.829 1.00 0.00 C ATOM 942 C GLN A 82 6.153 -9.455 -6.002 1.00 0.00 C ATOM 943 O GLN A 82 5.888 -10.187 -6.961 1.00 0.00 O ATOM 944 CB GLN A 82 6.000 -10.183 -3.700 1.00 0.00 C ATOM 945 CG GLN A 82 4.935 -11.251 -3.985 1.00 0.00 C ATOM 946 CD GLN A 82 5.438 -12.686 -3.982 1.00 0.00 C ATOM 947 OE1 GLN A 82 6.391 -12.999 -3.143 1.00 0.00 O flip ATOM 948 NE2 GLN A 82 4.917 -13.532 -4.699 1.00 0.00 N flip ATOM 0 H GLN A 82 7.601 -8.222 -3.847 1.00 0.00 H new ATOM 0 HA GLN A 82 7.478 -10.870 -5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.563 -10.475 -2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.502 -9.242 -3.466 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.144 -11.159 -3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.486 -11.043 -4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.175 -13.265 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.225 -14.503 -4.649 1.00 0.00 H new ATOM 957 N TRP A 83 5.775 -8.216 -5.920 1.00 0.00 N ATOM 958 CA TRP A 83 4.851 -7.645 -6.848 1.00 0.00 C ATOM 959 C TRP A 83 5.585 -6.662 -7.755 1.00 0.00 C ATOM 960 O TRP A 83 6.807 -6.726 -7.871 1.00 0.00 O ATOM 961 CB TRP A 83 3.707 -6.960 -6.058 1.00 0.00 C ATOM 962 CG TRP A 83 3.057 -7.855 -5.018 1.00 0.00 C ATOM 963 CD1 TRP A 83 2.326 -8.993 -5.210 1.00 0.00 C ATOM 964 CD2 TRP A 83 3.077 -7.638 -3.621 1.00 0.00 C ATOM 965 NE1 TRP A 83 1.920 -9.486 -3.981 1.00 0.00 N ATOM 966 CE2 TRP A 83 2.369 -8.662 -3.006 1.00 0.00 C ATOM 967 CE3 TRP A 83 3.636 -6.672 -2.857 1.00 0.00 C ATOM 968 CZ2 TRP A 83 2.208 -8.730 -1.630 1.00 0.00 C ATOM 969 CZ3 TRP A 83 3.493 -6.712 -1.492 1.00 0.00 C ATOM 970 CH2 TRP A 83 2.779 -7.736 -0.879 1.00 0.00 C ATOM 0 H TRP A 83 6.102 -7.569 -5.202 1.00 0.00 H new ATOM 0 HA TRP A 83 4.413 -8.416 -7.482 1.00 0.00 H new ATOM 0 HB2 TRP A 83 4.101 -6.072 -5.564 1.00 0.00 H new ATOM 0 HB3 TRP A 83 2.945 -6.623 -6.760 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.100 -9.438 -6.168 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.371 -10.333 -3.835 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.194 -5.871 -3.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.655 -9.535 -1.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.941 -5.938 -0.886 1.00 0.00 H new ATOM 0 HH2 TRP A 83 2.674 -7.748 0.196 1.00 0.00 H new ATOM 981 N LYS A 84 4.856 -5.782 -8.408 1.00 0.00 N ATOM 982 CA LYS A 84 5.458 -4.806 -9.308 1.00 0.00 C ATOM 983 C LYS A 84 6.287 -3.808 -8.532 1.00 0.00 C ATOM 984 O LYS A 84 7.508 -3.697 -8.710 1.00 0.00 O ATOM 985 CB LYS A 84 4.377 -4.074 -10.105 1.00 0.00 C ATOM 986 CG LYS A 84 3.477 -4.975 -10.937 1.00 0.00 C ATOM 987 CD LYS A 84 2.308 -4.196 -11.530 1.00 0.00 C ATOM 988 CE LYS A 84 2.755 -3.160 -12.549 1.00 0.00 C ATOM 989 NZ LYS A 84 1.624 -2.344 -13.017 1.00 0.00 N ATOM 0 H LYS A 84 3.841 -5.718 -8.336 1.00 0.00 H new ATOM 0 HA LYS A 84 6.108 -5.340 -10.001 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.757 -3.505 -9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.858 -3.354 -10.767 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.057 -5.431 -11.739 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.098 -5.787 -10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.615 -4.892 -12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.762 -3.700 -10.728 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.512 -2.514 -12.105 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.221 -3.660 -13.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.953 -1.681 -13.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.890 -2.964 -13.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.228 -1.809 -12.218 1.00 0.00 H new ATOM 1003 N GLY A 85 5.628 -3.100 -7.689 1.00 0.00 N ATOM 1004 CA GLY A 85 6.229 -2.116 -6.920 1.00 0.00 C ATOM 1005 C GLY A 85 6.333 -0.840 -7.625 1.00 0.00 C ATOM 1006 O GLY A 85 7.104 -0.679 -8.564 1.00 0.00 O ATOM 0 H GLY A 85 4.627 -3.206 -7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.656 -1.975 -6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.225 -2.447 -6.626 1.00 0.00 H new ATOM 1010 N PRO A 86 5.559 0.060 -7.191 1.00 0.00 N ATOM 1011 CA PRO A 86 5.479 1.379 -7.724 1.00 0.00 C ATOM 1012 C PRO A 86 6.498 2.305 -7.059 1.00 0.00 C ATOM 1013 O PRO A 86 7.332 1.844 -6.278 1.00 0.00 O ATOM 1014 CB PRO A 86 4.058 1.728 -7.392 1.00 0.00 C ATOM 1015 CG PRO A 86 3.762 1.028 -6.126 1.00 0.00 C ATOM 1016 CD PRO A 86 4.673 -0.108 -6.043 1.00 0.00 C ATOM 0 HA PRO A 86 5.710 1.469 -8.785 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.934 2.805 -7.282 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.381 1.409 -8.184 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.899 1.695 -5.275 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.725 0.693 -6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.230 -0.104 -5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.135 -1.055 -6.090 1.00 0.00 H new ATOM 1024 N ASP A 87 6.502 3.560 -7.436 1.00 0.00 N ATOM 1025 CA ASP A 87 7.412 4.551 -6.820 1.00 0.00 C ATOM 1026 C ASP A 87 7.034 4.749 -5.363 1.00 0.00 C ATOM 1027 O ASP A 87 7.896 4.869 -4.465 1.00 0.00 O ATOM 1028 CB ASP A 87 7.347 5.888 -7.553 1.00 0.00 C ATOM 1029 CG ASP A 87 7.846 5.816 -8.973 1.00 0.00 C ATOM 1030 OD1 ASP A 87 7.094 5.334 -9.859 1.00 0.00 O ATOM 1031 OD2 ASP A 87 8.986 6.262 -9.247 1.00 0.00 O ATOM 0 H ASP A 87 5.895 3.939 -8.163 1.00 0.00 H new ATOM 0 HA ASP A 87 8.432 4.172 -6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.316 6.243 -7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.936 6.623 -7.005 1.00 0.00 H new ATOM 1036 N ASP A 88 5.751 4.773 -5.135 1.00 0.00 N ATOM 1037 CA ASP A 88 5.167 4.846 -3.826 1.00 0.00 C ATOM 1038 C ASP A 88 3.868 4.105 -3.824 1.00 0.00 C ATOM 1039 O ASP A 88 3.199 3.994 -4.851 1.00 0.00 O ATOM 1040 CB ASP A 88 4.990 6.289 -3.305 1.00 0.00 C ATOM 1041 CG ASP A 88 4.229 7.214 -4.245 1.00 0.00 C ATOM 1042 OD1 ASP A 88 3.089 6.928 -4.599 1.00 0.00 O ATOM 1043 OD2 ASP A 88 4.786 8.252 -4.656 1.00 0.00 O ATOM 0 H ASP A 88 5.058 4.741 -5.883 1.00 0.00 H new ATOM 0 HA ASP A 88 5.864 4.376 -3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.468 6.254 -2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.975 6.716 -3.115 1.00 0.00 H new ATOM 1048 N ILE A 89 3.575 3.521 -2.724 1.00 0.00 N ATOM 1049 CA ILE A 89 2.352 2.772 -2.524 1.00 0.00 C ATOM 1050 C ILE A 89 1.436 3.519 -1.639 1.00 0.00 C ATOM 1051 O ILE A 89 1.887 4.333 -0.828 1.00 0.00 O ATOM 1052 CB ILE A 89 2.573 1.419 -1.885 1.00 0.00 C ATOM 1053 CG1 ILE A 89 3.155 1.568 -0.482 1.00 0.00 C ATOM 1054 CG2 ILE A 89 3.470 0.641 -2.758 1.00 0.00 C ATOM 1055 CD1 ILE A 89 4.658 1.569 -0.362 1.00 0.00 C ATOM 0 H ILE A 89 4.182 3.539 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 89 1.934 2.627 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 89 1.623 0.896 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.780 2.499 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.766 0.757 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.645 -0.341 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.010 0.522 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.420 1.165 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.939 1.681 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.054 0.629 -0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.069 2.398 -0.939 1.00 0.00 H new ATOM 1067 N LEU A 90 0.165 3.292 -1.769 1.00 0.00 N ATOM 1068 CA LEU A 90 -0.718 3.943 -0.923 1.00 0.00 C ATOM 1069 C LEU A 90 -0.661 3.339 0.433 1.00 0.00 C ATOM 1070 O LEU A 90 -0.619 2.115 0.583 1.00 0.00 O ATOM 1071 CB LEU A 90 -2.148 4.001 -1.477 1.00 0.00 C ATOM 1072 CG LEU A 90 -2.742 5.381 -1.622 1.00 0.00 C ATOM 1073 CD1 LEU A 90 -4.035 5.320 -2.318 1.00 0.00 C ATOM 1074 CD2 LEU A 90 -2.936 6.047 -0.309 1.00 0.00 C ATOM 0 H LEU A 90 -0.257 2.663 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.400 4.983 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.159 3.517 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.794 3.415 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.031 5.966 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.446 6.325 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.894 4.892 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.726 4.698 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.365 7.037 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.610 5.451 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.975 6.143 0.196 1.00 0.00 H new ATOM 1086 N LEU A 91 -0.613 4.198 1.405 1.00 0.00 N ATOM 1087 CA LEU A 91 -0.653 3.788 2.745 1.00 0.00 C ATOM 1088 C LEU A 91 -2.063 3.657 3.055 1.00 0.00 C ATOM 1089 O LEU A 91 -2.906 4.315 2.447 1.00 0.00 O ATOM 1090 CB LEU A 91 -0.127 4.844 3.671 1.00 0.00 C ATOM 1091 CG LEU A 91 1.033 4.510 4.616 1.00 0.00 C ATOM 1092 CD1 LEU A 91 2.039 3.621 3.972 1.00 0.00 C ATOM 1093 CD2 LEU A 91 1.691 5.782 5.083 1.00 0.00 C ATOM 0 H LEU A 91 -0.545 5.207 1.273 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.060 2.882 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.184 5.690 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.961 5.185 4.285 1.00 0.00 H new ATOM 0 HG LEU A 91 0.622 3.972 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.843 3.410 4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.562 2.687 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.449 4.114 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.515 5.540 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.073 6.331 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.962 6.397 5.611 1.00 0.00 H new ATOM 1105 N GLY A 92 -2.326 2.943 4.035 1.00 0.00 N ATOM 1106 CA GLY A 92 -3.681 2.701 4.385 1.00 0.00 C ATOM 1107 C GLY A 92 -4.073 3.667 5.418 1.00 0.00 C ATOM 1108 O GLY A 92 -4.597 3.317 6.472 1.00 0.00 O ATOM 0 H GLY A 92 -1.633 2.496 4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.322 2.801 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.801 1.682 4.753 1.00 0.00 H new ATOM 1112 N MET A 93 -3.811 4.884 5.103 1.00 0.00 N ATOM 1113 CA MET A 93 -3.918 5.931 5.958 1.00 0.00 C ATOM 1114 C MET A 93 -4.773 6.948 5.370 1.00 0.00 C ATOM 1115 O MET A 93 -4.587 7.335 4.213 1.00 0.00 O ATOM 1116 CB MET A 93 -2.565 6.468 6.273 1.00 0.00 C ATOM 1117 CG MET A 93 -2.541 7.845 6.819 1.00 0.00 C ATOM 1118 SD MET A 93 -0.900 8.560 6.795 1.00 0.00 S ATOM 1119 CE MET A 93 0.020 7.366 7.724 1.00 0.00 C ATOM 0 H MET A 93 -3.498 5.156 4.171 1.00 0.00 H new ATOM 0 HA MET A 93 -4.371 5.603 6.894 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.086 5.802 6.991 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.962 6.444 5.365 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.217 8.474 6.240 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.914 7.834 7.843 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.511 7.858 8.563 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.656 6.597 8.099 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.772 6.906 7.082 1.00 0.00 H new ATOM 1129 N PHE A 94 -5.693 7.396 6.122 1.00 0.00 N ATOM 1130 CA PHE A 94 -6.591 8.325 5.621 1.00 0.00 C ATOM 1131 C PHE A 94 -6.517 9.537 6.413 1.00 0.00 C ATOM 1132 O PHE A 94 -6.084 9.514 7.563 1.00 0.00 O ATOM 1133 CB PHE A 94 -7.999 7.763 5.545 1.00 0.00 C ATOM 1134 CG PHE A 94 -8.692 7.414 6.812 1.00 0.00 C ATOM 1135 CD1 PHE A 94 -8.417 6.258 7.372 1.00 0.00 C ATOM 1136 CD2 PHE A 94 -9.654 8.222 7.378 1.00 0.00 C ATOM 1137 CE1 PHE A 94 -9.025 5.814 8.475 1.00 0.00 C ATOM 1138 CE2 PHE A 94 -10.293 7.801 8.524 1.00 0.00 C ATOM 1139 CZ PHE A 94 -9.957 6.571 9.059 1.00 0.00 C ATOM 0 H PHE A 94 -5.838 7.126 7.095 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.318 8.570 4.595 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -8.618 8.489 5.018 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -7.965 6.865 4.928 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.661 5.635 6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.904 9.172 6.930 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.765 4.852 8.891 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.042 8.420 8.995 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.451 6.221 9.953 1.00 0.00 H new ATOM 1149 N TYR A 95 -6.901 10.579 5.828 1.00 0.00 N ATOM 1150 CA TYR A 95 -6.866 11.808 6.494 1.00 0.00 C ATOM 1151 C TYR A 95 -8.240 12.174 6.904 1.00 0.00 C ATOM 1152 O TYR A 95 -9.108 12.458 6.079 1.00 0.00 O ATOM 1153 CB TYR A 95 -6.181 12.921 5.688 1.00 0.00 C ATOM 1154 CG TYR A 95 -6.154 14.230 6.419 1.00 0.00 C ATOM 1155 CD1 TYR A 95 -5.650 14.297 7.692 1.00 0.00 C ATOM 1156 CD2 TYR A 95 -6.649 15.384 5.849 1.00 0.00 C ATOM 1157 CE1 TYR A 95 -5.629 15.464 8.393 1.00 0.00 C ATOM 1158 CE2 TYR A 95 -6.631 16.573 6.538 1.00 0.00 C ATOM 1159 CZ TYR A 95 -6.118 16.605 7.812 1.00 0.00 C ATOM 1160 OH TYR A 95 -6.096 17.778 8.502 1.00 0.00 O ATOM 0 H TYR A 95 -7.251 10.614 4.871 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.244 11.694 7.382 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.160 12.619 5.454 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.701 13.050 4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.259 13.401 8.151 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.056 15.353 4.849 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.231 15.490 9.397 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.016 17.473 6.082 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.478 18.491 7.948 1.00 0.00 H new ATOM 1170 N ASP A 96 -8.450 12.097 8.166 1.00 0.00 N ATOM 1171 CA ASP A 96 -9.670 12.467 8.739 1.00 0.00 C ATOM 1172 C ASP A 96 -9.651 13.938 8.829 1.00 0.00 C ATOM 1173 O ASP A 96 -8.747 14.488 9.436 1.00 0.00 O ATOM 1174 CB ASP A 96 -9.735 11.952 10.099 1.00 0.00 C ATOM 1175 CG ASP A 96 -11.070 12.152 10.728 1.00 0.00 C ATOM 1176 OD1 ASP A 96 -11.337 13.229 11.203 1.00 0.00 O ATOM 1177 OD2 ASP A 96 -11.843 11.182 10.789 1.00 0.00 O ATOM 0 H ASP A 96 -7.756 11.766 8.836 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.509 12.088 8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.497 10.888 10.092 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.975 12.444 10.706 1.00 0.00 H new ATOM 1182 N THR A 97 -10.556 14.576 8.232 1.00 0.00 N ATOM 1183 CA THR A 97 -10.553 16.001 8.219 1.00 0.00 C ATOM 1184 C THR A 97 -11.277 16.600 9.409 1.00 0.00 C ATOM 1185 O THR A 97 -11.080 17.774 9.755 1.00 0.00 O ATOM 1186 CB THR A 97 -11.126 16.489 6.922 1.00 0.00 C ATOM 1187 OG1 THR A 97 -12.391 15.841 6.703 1.00 0.00 O ATOM 1188 CG2 THR A 97 -10.179 16.132 5.803 1.00 0.00 C ATOM 0 H THR A 97 -11.332 14.144 7.730 1.00 0.00 H new ATOM 0 HA THR A 97 -9.519 16.336 8.304 1.00 0.00 H new ATOM 0 HB THR A 97 -11.265 17.570 6.953 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.777 16.154 5.858 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.587 16.483 4.855 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.213 16.605 5.979 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.052 15.050 5.765 1.00 0.00 H new ATOM 1196 N ASP A 98 -12.082 15.792 10.040 1.00 0.00 N ATOM 1197 CA ASP A 98 -12.880 16.210 11.191 1.00 0.00 C ATOM 1198 C ASP A 98 -11.995 16.382 12.405 1.00 0.00 C ATOM 1199 O ASP A 98 -12.007 17.424 13.067 1.00 0.00 O ATOM 1200 CB ASP A 98 -13.933 15.164 11.494 1.00 0.00 C ATOM 1201 CG ASP A 98 -14.916 15.601 12.554 1.00 0.00 C ATOM 1202 OD1 ASP A 98 -14.677 15.358 13.758 1.00 0.00 O ATOM 1203 OD2 ASP A 98 -15.961 16.180 12.198 1.00 0.00 O ATOM 0 H ASP A 98 -12.214 14.815 9.779 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.360 17.160 10.954 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.476 14.928 10.579 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.442 14.247 11.819 1.00 0.00 H new ATOM 1208 N ASP A 99 -11.200 15.377 12.665 1.00 0.00 N ATOM 1209 CA ASP A 99 -10.298 15.375 13.807 1.00 0.00 C ATOM 1210 C ASP A 99 -8.994 15.911 13.371 1.00 0.00 C ATOM 1211 O ASP A 99 -8.211 16.434 14.174 1.00 0.00 O ATOM 1212 CB ASP A 99 -10.058 13.972 14.362 1.00 0.00 C ATOM 1213 CG ASP A 99 -11.271 13.299 14.943 1.00 0.00 C ATOM 1214 OD1 ASP A 99 -11.853 13.821 15.915 1.00 0.00 O ATOM 1215 OD2 ASP A 99 -11.637 12.201 14.470 1.00 0.00 O ATOM 0 H ASP A 99 -11.153 14.532 12.096 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.757 15.979 14.589 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.662 13.345 13.563 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.290 14.030 15.133 1.00 0.00 H new ATOM 1220 N ALA A 100 -8.775 15.782 12.082 1.00 0.00 N ATOM 1221 CA ALA A 100 -7.572 16.164 11.421 1.00 0.00 C ATOM 1222 C ALA A 100 -6.413 15.319 11.859 1.00 0.00 C ATOM 1223 O ALA A 100 -5.523 15.760 12.583 1.00 0.00 O ATOM 1224 CB ALA A 100 -7.304 17.667 11.435 1.00 0.00 C ATOM 0 H ALA A 100 -9.470 15.389 11.447 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.716 15.952 10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.371 17.875 10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.122 18.187 10.937 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.227 18.013 12.466 1.00 0.00 H new ATOM 1230 N SER A 101 -6.474 14.068 11.480 1.00 0.00 N ATOM 1231 CA SER A 101 -5.419 13.166 11.777 1.00 0.00 C ATOM 1232 C SER A 101 -5.361 12.115 10.762 1.00 0.00 C ATOM 1233 O SER A 101 -6.355 11.850 10.057 1.00 0.00 O ATOM 1234 CB SER A 101 -5.593 12.579 13.176 1.00 0.00 C ATOM 1235 OG SER A 101 -4.692 11.531 13.495 1.00 0.00 O ATOM 0 H SER A 101 -7.253 13.660 10.963 1.00 0.00 H new ATOM 0 HA SER A 101 -4.473 13.707 11.762 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.474 13.378 13.908 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.612 12.206 13.275 1.00 0.00 H new ATOM 0 HG SER A 101 -4.869 11.213 14.405 1.00 0.00 H new ATOM 1241 N PHE A 102 -4.220 11.553 10.646 1.00 0.00 N ATOM 1242 CA PHE A 102 -4.036 10.480 9.789 1.00 0.00 C ATOM 1243 C PHE A 102 -4.364 9.235 10.521 1.00 0.00 C ATOM 1244 O PHE A 102 -4.076 9.102 11.721 1.00 0.00 O ATOM 1245 CB PHE A 102 -2.678 10.455 9.174 1.00 0.00 C ATOM 1246 CG PHE A 102 -2.436 11.606 8.327 1.00 0.00 C ATOM 1247 CD1 PHE A 102 -2.882 11.605 7.033 1.00 0.00 C ATOM 1248 CD2 PHE A 102 -1.779 12.710 8.827 1.00 0.00 C ATOM 1249 CE1 PHE A 102 -2.673 12.707 6.245 1.00 0.00 C ATOM 1250 CE2 PHE A 102 -1.564 13.804 8.051 1.00 0.00 C ATOM 1251 CZ PHE A 102 -2.010 13.811 6.761 1.00 0.00 C ATOM 0 H PHE A 102 -3.384 11.839 11.156 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.711 10.581 8.939 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -1.925 10.422 9.962 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.565 9.544 8.586 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.395 10.742 6.635 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.431 12.705 9.849 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.024 12.716 5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.044 14.662 8.452 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.846 14.679 6.140 1.00 0.00 H new ATOM 1261 N LYS A 103 -4.958 8.325 9.839 1.00 0.00 N ATOM 1262 CA LYS A 103 -5.568 7.225 10.489 1.00 0.00 C ATOM 1263 C LYS A 103 -5.378 6.016 9.680 1.00 0.00 C ATOM 1264 O LYS A 103 -5.327 6.098 8.476 1.00 0.00 O ATOM 1265 CB LYS A 103 -7.064 7.508 10.637 1.00 0.00 C ATOM 1266 CG LYS A 103 -7.348 8.838 11.278 1.00 0.00 C ATOM 1267 CD LYS A 103 -8.789 8.994 11.692 1.00 0.00 C ATOM 1268 CE LYS A 103 -9.018 10.187 12.606 1.00 0.00 C ATOM 1269 NZ LYS A 103 -10.431 10.234 13.065 1.00 0.00 N ATOM 0 H LYS A 103 -5.035 8.321 8.822 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.119 7.077 11.471 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.533 7.477 9.654 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.521 6.718 11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.709 8.958 12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.087 9.635 10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.408 9.102 10.801 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.116 8.086 12.199 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.353 10.125 13.467 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.771 11.108 12.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.597 11.117 13.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.065 10.196 12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.622 9.422 13.686 1.00 0.00 H new ATOM 1283 N TRP A 104 -5.264 4.917 10.315 1.00 0.00 N ATOM 1284 CA TRP A 104 -5.128 3.688 9.646 1.00 0.00 C ATOM 1285 C TRP A 104 -6.484 3.135 9.350 1.00 0.00 C ATOM 1286 O TRP A 104 -7.390 3.225 10.181 1.00 0.00 O ATOM 1287 CB TRP A 104 -4.337 2.693 10.503 1.00 0.00 C ATOM 1288 CG TRP A 104 -2.892 3.047 10.693 1.00 0.00 C ATOM 1289 CD1 TRP A 104 -2.219 3.150 11.872 1.00 0.00 C ATOM 1290 CD2 TRP A 104 -1.942 3.357 9.664 1.00 0.00 C ATOM 1291 NE1 TRP A 104 -0.908 3.464 11.631 1.00 0.00 N ATOM 1292 CE2 TRP A 104 -0.719 3.613 10.292 1.00 0.00 C ATOM 1293 CE3 TRP A 104 -2.006 3.433 8.273 1.00 0.00 C ATOM 1294 CZ2 TRP A 104 0.426 3.942 9.584 1.00 0.00 C ATOM 1295 CZ3 TRP A 104 -0.879 3.760 7.576 1.00 0.00 C ATOM 1296 CH2 TRP A 104 0.327 4.013 8.229 1.00 0.00 C ATOM 0 H TRP A 104 -5.263 4.845 11.332 1.00 0.00 H new ATOM 0 HA TRP A 104 -4.585 3.849 8.715 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.811 2.618 11.482 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -4.399 1.707 10.043 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -2.654 3.006 12.850 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -0.186 3.570 12.344 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -2.933 3.236 7.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.361 4.135 10.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -0.922 3.824 6.499 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.200 4.270 7.647 1.00 0.00 H new ATOM 1307 N PHE A 105 -6.639 2.562 8.173 1.00 0.00 N ATOM 1308 CA PHE A 105 -7.866 1.861 7.836 1.00 0.00 C ATOM 1309 C PHE A 105 -8.000 0.619 8.673 1.00 0.00 C ATOM 1310 O PHE A 105 -9.080 0.048 8.809 1.00 0.00 O ATOM 1311 CB PHE A 105 -7.977 1.526 6.355 1.00 0.00 C ATOM 1312 CG PHE A 105 -8.481 2.654 5.553 1.00 0.00 C ATOM 1313 CD1 PHE A 105 -9.731 3.159 5.818 1.00 0.00 C ATOM 1314 CD2 PHE A 105 -7.727 3.238 4.557 1.00 0.00 C ATOM 1315 CE1 PHE A 105 -10.214 4.205 5.112 1.00 0.00 C ATOM 1316 CE2 PHE A 105 -8.203 4.269 3.870 1.00 0.00 C ATOM 1317 CZ PHE A 105 -9.452 4.761 4.139 1.00 0.00 C ATOM 0 H PHE A 105 -5.935 2.567 7.435 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.689 2.540 8.058 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.998 1.228 5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -8.641 0.671 6.229 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -10.333 2.716 6.598 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.742 2.854 4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -11.199 4.595 5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.602 4.722 3.095 1.00 0.00 H new ATOM 0 HZ PHE A 105 -9.833 5.598 3.572 1.00 0.00 H new ATOM 1327 N ASP A 106 -6.886 0.235 9.273 1.00 0.00 N ATOM 1328 CA ASP A 106 -6.844 -0.884 10.217 1.00 0.00 C ATOM 1329 C ASP A 106 -7.537 -0.482 11.533 1.00 0.00 C ATOM 1330 O ASP A 106 -7.809 -1.311 12.392 1.00 0.00 O ATOM 1331 CB ASP A 106 -5.386 -1.284 10.458 1.00 0.00 C ATOM 1332 CG ASP A 106 -5.170 -2.367 11.486 1.00 0.00 C ATOM 1333 OD1 ASP A 106 -5.565 -3.527 11.260 1.00 0.00 O ATOM 1334 OD2 ASP A 106 -4.554 -2.082 12.527 1.00 0.00 O ATOM 0 H ASP A 106 -5.983 0.685 9.124 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.376 -1.741 9.805 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.957 -1.615 9.512 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.831 -0.398 10.767 1.00 0.00 H new ATOM 1339 N ASN A 107 -7.816 0.829 11.664 1.00 0.00 N ATOM 1340 CA ASN A 107 -8.518 1.443 12.815 1.00 0.00 C ATOM 1341 C ASN A 107 -7.702 1.431 14.080 1.00 0.00 C ATOM 1342 O ASN A 107 -8.177 1.829 15.138 1.00 0.00 O ATOM 1343 CB ASN A 107 -9.926 0.856 13.068 1.00 0.00 C ATOM 1344 CG ASN A 107 -10.956 1.267 12.029 1.00 0.00 C ATOM 1345 OD1 ASN A 107 -11.593 2.318 12.154 1.00 0.00 O ATOM 1346 ND2 ASN A 107 -11.162 0.448 11.027 1.00 0.00 N ATOM 0 H ASN A 107 -7.553 1.512 10.954 1.00 0.00 H new ATOM 0 HA ASN A 107 -8.655 2.484 12.521 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.858 -0.232 13.089 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.270 1.172 14.053 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.865 0.671 10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.619 -0.412 10.952 1.00 0.00 H new ATOM 1353 N SER A 108 -6.490 1.004 13.980 1.00 0.00 N ATOM 1354 CA SER A 108 -5.634 0.988 15.109 1.00 0.00 C ATOM 1355 C SER A 108 -4.841 2.288 15.147 1.00 0.00 C ATOM 1356 O SER A 108 -4.698 2.961 14.115 1.00 0.00 O ATOM 1357 CB SER A 108 -4.737 -0.230 15.057 1.00 0.00 C ATOM 1358 OG SER A 108 -5.506 -1.415 14.873 1.00 0.00 O ATOM 0 H SER A 108 -6.069 0.659 13.117 1.00 0.00 H new ATOM 0 HA SER A 108 -6.215 0.920 16.029 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.021 -0.125 14.242 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.162 -0.304 15.980 1.00 0.00 H new ATOM 0 HG SER A 108 -5.401 -1.734 13.952 1.00 0.00 H new ATOM 1364 N ASN A 109 -4.347 2.642 16.314 1.00 0.00 N ATOM 1365 CA ASN A 109 -3.636 3.902 16.529 1.00 0.00 C ATOM 1366 C ASN A 109 -2.404 3.987 15.666 1.00 0.00 C ATOM 1367 O ASN A 109 -1.724 2.985 15.431 1.00 0.00 O ATOM 1368 CB ASN A 109 -3.174 4.020 17.984 1.00 0.00 C ATOM 1369 CG ASN A 109 -2.594 5.342 18.322 1.00 0.00 C ATOM 1370 OD1 ASN A 109 -2.972 6.374 17.759 1.00 0.00 O ATOM 1371 ND2 ASN A 109 -1.715 5.343 19.248 1.00 0.00 N ATOM 0 H ASN A 109 -4.424 2.065 17.152 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.332 4.702 16.276 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.022 3.827 18.641 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -2.433 3.246 18.184 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.294 6.221 19.551 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.433 4.465 19.685 1.00 0.00 H new ATOM 1378 N MET A 110 -2.111 5.154 15.178 1.00 0.00 N ATOM 1379 CA MET A 110 -0.883 5.338 14.471 1.00 0.00 C ATOM 1380 C MET A 110 0.229 5.519 15.483 1.00 0.00 C ATOM 1381 O MET A 110 0.509 6.628 15.950 1.00 0.00 O ATOM 1382 CB MET A 110 -0.983 6.509 13.533 1.00 0.00 C ATOM 1383 CG MET A 110 0.233 6.742 12.663 1.00 0.00 C ATOM 1384 SD MET A 110 -0.063 8.036 11.459 1.00 0.00 S ATOM 1385 CE MET A 110 -1.551 7.386 10.700 1.00 0.00 C ATOM 0 H MET A 110 -2.699 5.984 15.255 1.00 0.00 H new ATOM 0 HA MET A 110 -0.665 4.463 13.858 1.00 0.00 H new ATOM 0 HB2 MET A 110 -1.850 6.364 12.888 1.00 0.00 H new ATOM 0 HB3 MET A 110 -1.169 7.409 14.119 1.00 0.00 H new ATOM 0 HG2 MET A 110 1.083 7.013 13.289 1.00 0.00 H new ATOM 0 HG3 MET A 110 0.497 5.818 12.149 1.00 0.00 H new ATOM 0 HE1 MET A 110 -1.787 7.965 9.807 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.393 6.343 10.425 1.00 0.00 H new ATOM 0 HE3 MET A 110 -2.379 7.454 11.406 1.00 0.00 H new ATOM 1395 N THR A 111 0.815 4.411 15.845 1.00 0.00 N ATOM 1396 CA THR A 111 1.822 4.357 16.850 1.00 0.00 C ATOM 1397 C THR A 111 3.226 4.564 16.263 1.00 0.00 C ATOM 1398 O THR A 111 4.185 4.822 16.991 1.00 0.00 O ATOM 1399 CB THR A 111 1.724 2.993 17.575 1.00 0.00 C ATOM 1400 OG1 THR A 111 1.657 1.932 16.594 1.00 0.00 O ATOM 1401 CG2 THR A 111 0.478 2.935 18.466 1.00 0.00 C ATOM 0 H THR A 111 0.595 3.503 15.435 1.00 0.00 H new ATOM 0 HA THR A 111 1.658 5.168 17.559 1.00 0.00 H new ATOM 0 HB THR A 111 2.607 2.871 18.202 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.728 1.637 16.494 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.432 1.967 18.964 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.528 3.726 19.214 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.414 3.071 17.854 1.00 0.00 H new ATOM 1409 N PHE A 112 3.341 4.459 14.951 1.00 0.00 N ATOM 1410 CA PHE A 112 4.607 4.632 14.289 1.00 0.00 C ATOM 1411 C PHE A 112 4.408 5.493 13.094 1.00 0.00 C ATOM 1412 O PHE A 112 3.293 5.556 12.561 1.00 0.00 O ATOM 1413 CB PHE A 112 5.177 3.309 13.828 1.00 0.00 C ATOM 1414 CG PHE A 112 6.626 3.412 13.472 1.00 0.00 C ATOM 1415 CD1 PHE A 112 7.590 3.544 14.450 1.00 0.00 C ATOM 1416 CD2 PHE A 112 7.006 3.420 12.165 1.00 0.00 C ATOM 1417 CE1 PHE A 112 8.919 3.679 14.115 1.00 0.00 C ATOM 1418 CE2 PHE A 112 8.330 3.559 11.810 1.00 0.00 C ATOM 1419 CZ PHE A 112 9.291 3.690 12.792 1.00 0.00 C ATOM 0 H PHE A 112 2.562 4.253 14.325 1.00 0.00 H new ATOM 0 HA PHE A 112 5.301 5.085 14.996 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.050 2.566 14.616 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.616 2.955 12.963 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.299 3.541 15.490 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.257 3.316 11.394 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.666 3.776 14.889 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.615 3.565 10.768 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.331 3.801 12.522 1.00 0.00 H new ATOM 1429 N ASP A 113 5.470 6.134 12.657 1.00 0.00 N ATOM 1430 CA ASP A 113 5.419 6.986 11.514 1.00 0.00 C ATOM 1431 C ASP A 113 6.768 7.175 10.915 1.00 0.00 C ATOM 1432 O ASP A 113 7.793 7.107 11.601 1.00 0.00 O ATOM 1433 CB ASP A 113 4.802 8.331 11.858 1.00 0.00 C ATOM 1434 CG ASP A 113 5.667 9.133 12.810 1.00 0.00 C ATOM 1435 OD1 ASP A 113 5.611 8.891 14.037 1.00 0.00 O ATOM 1436 OD2 ASP A 113 6.422 9.996 12.354 1.00 0.00 O ATOM 0 H ASP A 113 6.390 6.072 13.093 1.00 0.00 H new ATOM 0 HA ASP A 113 4.785 6.495 10.775 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.647 8.902 10.943 1.00 0.00 H new ATOM 0 HB3 ASP A 113 3.821 8.174 12.306 1.00 0.00 H new ATOM 1441 N LYS A 114 6.759 7.338 9.620 1.00 0.00 N ATOM 1442 CA LYS A 114 7.924 7.644 8.853 1.00 0.00 C ATOM 1443 C LYS A 114 7.608 8.852 7.991 1.00 0.00 C ATOM 1444 O LYS A 114 7.484 8.753 6.783 1.00 0.00 O ATOM 1445 CB LYS A 114 8.240 6.470 7.956 1.00 0.00 C ATOM 1446 CG LYS A 114 8.701 5.213 8.658 1.00 0.00 C ATOM 1447 CD LYS A 114 10.181 5.227 9.043 1.00 0.00 C ATOM 1448 CE LYS A 114 11.094 5.332 7.813 1.00 0.00 C ATOM 1449 NZ LYS A 114 12.511 5.060 8.132 1.00 0.00 N ATOM 0 H LYS A 114 5.912 7.258 9.057 1.00 0.00 H new ATOM 0 HA LYS A 114 8.774 7.848 9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.350 6.233 7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.013 6.774 7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.103 5.071 9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.512 4.357 8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.374 6.067 9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.420 4.319 9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.755 4.628 7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.007 6.331 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.084 5.144 7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.846 5.747 8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.602 4.098 8.515 1.00 0.00 H new ATOM 1463 N TRP A 115 7.457 9.974 8.606 1.00 0.00 N ATOM 1464 CA TRP A 115 7.093 11.174 7.886 1.00 0.00 C ATOM 1465 C TRP A 115 8.299 11.900 7.335 1.00 0.00 C ATOM 1466 O TRP A 115 9.365 11.948 7.967 1.00 0.00 O ATOM 1467 CB TRP A 115 6.248 12.121 8.749 1.00 0.00 C ATOM 1468 CG TRP A 115 4.905 11.609 9.065 1.00 0.00 C ATOM 1469 CD1 TRP A 115 4.474 11.208 10.245 1.00 0.00 C ATOM 1470 CD2 TRP A 115 3.824 11.465 8.168 1.00 0.00 C ATOM 1471 NE1 TRP A 115 3.169 10.785 10.170 1.00 0.00 N ATOM 1472 CE2 TRP A 115 2.746 10.940 8.888 1.00 0.00 C ATOM 1473 CE3 TRP A 115 3.671 11.726 6.830 1.00 0.00 C ATOM 1474 CZ2 TRP A 115 1.519 10.672 8.297 1.00 0.00 C ATOM 1475 CZ3 TRP A 115 2.473 11.464 6.248 1.00 0.00 C ATOM 1476 CH2 TRP A 115 1.405 10.943 6.966 1.00 0.00 C ATOM 0 H TRP A 115 7.578 10.099 9.611 1.00 0.00 H new ATOM 0 HA TRP A 115 6.487 10.849 7.041 1.00 0.00 H new ATOM 0 HB2 TRP A 115 6.779 12.317 9.681 1.00 0.00 H new ATOM 0 HB3 TRP A 115 6.149 13.075 8.232 1.00 0.00 H new ATOM 0 HD1 TRP A 115 5.067 11.212 11.148 1.00 0.00 H new ATOM 0 HE1 TRP A 115 2.614 10.418 10.943 1.00 0.00 H new ATOM 0 HE3 TRP A 115 4.487 12.132 6.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 0.694 10.268 8.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 2.347 11.667 5.195 1.00 0.00 H new ATOM 0 HH2 TRP A 115 0.470 10.749 6.462 1.00 0.00 H new ATOM 1487 N THR A 116 8.142 12.429 6.156 1.00 0.00 N ATOM 1488 CA THR A 116 9.140 13.252 5.546 1.00 0.00 C ATOM 1489 C THR A 116 8.604 14.692 5.601 1.00 0.00 C ATOM 1490 O THR A 116 7.487 14.899 6.072 1.00 0.00 O ATOM 1491 CB THR A 116 9.401 12.810 4.067 1.00 0.00 C ATOM 1492 OG1 THR A 116 10.472 13.557 3.472 1.00 0.00 O ATOM 1493 CG2 THR A 116 8.151 12.898 3.201 1.00 0.00 C ATOM 0 H THR A 116 7.306 12.298 5.586 1.00 0.00 H new ATOM 0 HA THR A 116 10.093 13.167 6.069 1.00 0.00 H new ATOM 0 HB THR A 116 9.695 11.761 4.114 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.308 13.052 3.553 1.00 0.00 H new ATOM 0 HG21 THR A 116 8.389 12.580 2.186 1.00 0.00 H new ATOM 0 HG22 THR A 116 7.377 12.250 3.612 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.792 13.927 3.184 1.00 0.00 H new ATOM 1501 N ASP A 117 9.354 15.659 5.161 1.00 0.00 N ATOM 1502 CA ASP A 117 8.865 17.037 5.165 1.00 0.00 C ATOM 1503 C ASP A 117 8.126 17.314 3.874 1.00 0.00 C ATOM 1504 O ASP A 117 8.702 17.163 2.788 1.00 0.00 O ATOM 1505 CB ASP A 117 10.008 18.037 5.335 1.00 0.00 C ATOM 1506 CG ASP A 117 9.524 19.474 5.324 1.00 0.00 C ATOM 1507 OD1 ASP A 117 9.013 19.950 6.359 1.00 0.00 O ATOM 1508 OD2 ASP A 117 9.671 20.162 4.286 1.00 0.00 O ATOM 0 H ASP A 117 10.299 15.538 4.795 1.00 0.00 H new ATOM 0 HA ASP A 117 8.189 17.156 6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.525 17.838 6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.734 17.895 4.535 1.00 0.00 H new ATOM 1513 N GLN A 118 6.854 17.655 3.967 1.00 0.00 N ATOM 1514 CA GLN A 118 6.082 17.925 2.874 1.00 0.00 C ATOM 1515 C GLN A 118 5.450 19.308 3.080 1.00 0.00 C ATOM 1516 O GLN A 118 5.540 19.914 4.164 1.00 0.00 O ATOM 1517 CB GLN A 118 4.999 16.883 2.827 1.00 0.00 C ATOM 1518 CG GLN A 118 4.166 16.960 1.633 1.00 0.00 C ATOM 1519 CD GLN A 118 3.042 15.957 1.606 1.00 0.00 C ATOM 1520 OE1 GLN A 118 3.205 14.857 1.140 1.00 0.00 O ATOM 1521 NE2 GLN A 118 1.894 16.331 2.068 1.00 0.00 N ATOM 0 H GLN A 118 6.359 17.741 4.855 1.00 0.00 H new ATOM 0 HA GLN A 118 6.661 17.914 1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 118 5.455 15.894 2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 118 4.367 16.988 3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.746 17.963 1.559 1.00 0.00 H new ATOM 0 HG3 GLN A 118 4.793 16.811 0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.781 17.267 2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.101 15.690 2.043 1.00 0.00 H new ATOM 1530 N ASP A 119 4.879 19.782 2.052 1.00 0.00 N ATOM 1531 CA ASP A 119 4.112 20.981 1.999 1.00 0.00 C ATOM 1532 C ASP A 119 2.683 20.723 2.466 1.00 0.00 C ATOM 1533 O ASP A 119 2.260 19.560 2.612 1.00 0.00 O ATOM 1534 CB ASP A 119 4.169 21.418 0.569 1.00 0.00 C ATOM 1535 CG ASP A 119 3.167 22.440 0.099 1.00 0.00 C ATOM 1536 OD1 ASP A 119 3.068 23.528 0.692 1.00 0.00 O ATOM 1537 OD2 ASP A 119 2.505 22.195 -0.914 1.00 0.00 O ATOM 0 H ASP A 119 4.931 19.315 1.147 1.00 0.00 H new ATOM 0 HA ASP A 119 4.501 21.756 2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.166 21.818 0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.059 20.531 -0.055 1.00 0.00 H new ATOM 1542 N ASP A 120 1.981 21.812 2.684 1.00 0.00 N ATOM 1543 CA ASP A 120 0.591 21.870 3.218 1.00 0.00 C ATOM 1544 C ASP A 120 0.549 21.543 4.682 1.00 0.00 C ATOM 1545 O ASP A 120 0.872 20.432 5.100 1.00 0.00 O ATOM 1546 CB ASP A 120 -0.438 20.998 2.462 1.00 0.00 C ATOM 1547 CG ASP A 120 -0.718 21.431 1.048 1.00 0.00 C ATOM 1548 OD1 ASP A 120 -1.297 22.539 0.827 1.00 0.00 O ATOM 1549 OD2 ASP A 120 -0.394 20.676 0.114 1.00 0.00 O ATOM 0 H ASP A 120 2.360 22.739 2.492 1.00 0.00 H new ATOM 0 HA ASP A 120 0.289 22.905 3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -0.079 19.969 2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -1.375 21.001 3.020 1.00 0.00 H new ATOM 1554 N ASP A 121 0.147 22.500 5.467 1.00 0.00 N ATOM 1555 CA ASP A 121 0.097 22.324 6.905 1.00 0.00 C ATOM 1556 C ASP A 121 -1.337 22.127 7.360 1.00 0.00 C ATOM 1557 O ASP A 121 -1.620 21.277 8.202 1.00 0.00 O ATOM 1558 CB ASP A 121 0.701 23.531 7.610 1.00 0.00 C ATOM 1559 CG ASP A 121 0.916 23.298 9.086 1.00 0.00 C ATOM 1560 OD1 ASP A 121 -0.017 23.482 9.883 1.00 0.00 O ATOM 1561 OD2 ASP A 121 2.033 22.934 9.477 1.00 0.00 O ATOM 0 H ASP A 121 -0.154 23.418 5.141 1.00 0.00 H new ATOM 0 HA ASP A 121 0.677 21.438 7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.654 23.780 7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 121 0.046 24.391 7.474 1.00 0.00 H new ATOM 1566 N GLU A 122 -2.234 22.911 6.789 1.00 0.00 N ATOM 1567 CA GLU A 122 -3.637 22.858 7.102 1.00 0.00 C ATOM 1568 C GLU A 122 -4.282 21.681 6.412 1.00 0.00 C ATOM 1569 O GLU A 122 -4.414 20.594 6.980 1.00 0.00 O ATOM 1570 CB GLU A 122 -4.323 24.143 6.639 1.00 0.00 C ATOM 1571 CG GLU A 122 -3.872 25.371 7.347 1.00 0.00 C ATOM 1572 CD GLU A 122 -4.431 25.462 8.743 1.00 0.00 C ATOM 1573 OE1 GLU A 122 -3.931 24.787 9.652 1.00 0.00 O ATOM 1574 OE2 GLU A 122 -5.412 26.207 8.950 1.00 0.00 O ATOM 0 H GLU A 122 -1.997 23.610 6.085 1.00 0.00 H new ATOM 0 HA GLU A 122 -3.746 22.750 8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -4.147 24.269 5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -5.399 24.035 6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.783 25.383 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -4.177 26.249 6.778 1.00 0.00 H new ATOM 1581 N ASP A 123 -4.671 21.896 5.195 1.00 0.00 N ATOM 1582 CA ASP A 123 -5.309 20.877 4.413 1.00 0.00 C ATOM 1583 C ASP A 123 -4.392 20.352 3.353 1.00 0.00 C ATOM 1584 O ASP A 123 -3.846 21.096 2.550 1.00 0.00 O ATOM 1585 CB ASP A 123 -6.627 21.350 3.797 1.00 0.00 C ATOM 1586 CG ASP A 123 -6.484 22.502 2.834 1.00 0.00 C ATOM 1587 OD1 ASP A 123 -6.186 23.631 3.280 1.00 0.00 O ATOM 1588 OD2 ASP A 123 -6.706 22.300 1.611 1.00 0.00 O ATOM 0 H ASP A 123 -4.556 22.786 4.711 1.00 0.00 H new ATOM 0 HA ASP A 123 -5.547 20.065 5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.093 20.513 3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.304 21.644 4.599 1.00 0.00 H new ATOM 1593 N LEU A 124 -4.206 19.077 3.390 1.00 0.00 N ATOM 1594 CA LEU A 124 -3.410 18.356 2.438 1.00 0.00 C ATOM 1595 C LEU A 124 -4.282 17.309 1.774 1.00 0.00 C ATOM 1596 O LEU A 124 -3.853 16.228 1.421 1.00 0.00 O ATOM 1597 CB LEU A 124 -2.153 17.730 3.109 1.00 0.00 C ATOM 1598 CG LEU A 124 -2.231 17.238 4.582 1.00 0.00 C ATOM 1599 CD1 LEU A 124 -2.247 18.377 5.600 1.00 0.00 C ATOM 1600 CD2 LEU A 124 -3.387 16.289 4.803 1.00 0.00 C ATOM 0 H LEU A 124 -4.616 18.480 4.108 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.036 19.041 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.846 16.881 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.353 18.468 3.054 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.308 16.685 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.302 17.964 6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.336 18.968 5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.114 19.013 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.403 15.971 5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.323 16.794 4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.270 15.417 4.159 1.00 0.00 H new ATOM 1612 N VAL A 125 -5.496 17.703 1.537 1.00 0.00 N ATOM 1613 CA VAL A 125 -6.544 16.826 1.049 1.00 0.00 C ATOM 1614 C VAL A 125 -6.448 16.658 -0.482 1.00 0.00 C ATOM 1615 O VAL A 125 -7.143 15.838 -1.094 1.00 0.00 O ATOM 1616 CB VAL A 125 -7.939 17.403 1.466 1.00 0.00 C ATOM 1617 CG1 VAL A 125 -9.104 16.520 1.037 1.00 0.00 C ATOM 1618 CG2 VAL A 125 -7.983 17.633 2.964 1.00 0.00 C ATOM 0 H VAL A 125 -5.804 18.665 1.678 1.00 0.00 H new ATOM 0 HA VAL A 125 -6.423 15.839 1.494 1.00 0.00 H new ATOM 0 HB VAL A 125 -8.055 18.352 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -10.042 16.975 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -9.101 16.416 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -9.003 15.537 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -8.958 18.034 3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -7.818 16.688 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -7.205 18.342 3.246 1.00 0.00 H new ATOM 1628 N ASP A 126 -5.580 17.413 -1.081 1.00 0.00 N ATOM 1629 CA ASP A 126 -5.401 17.362 -2.531 1.00 0.00 C ATOM 1630 C ASP A 126 -4.474 16.226 -2.918 1.00 0.00 C ATOM 1631 O ASP A 126 -4.448 15.775 -4.068 1.00 0.00 O ATOM 1632 CB ASP A 126 -4.899 18.704 -3.064 1.00 0.00 C ATOM 1633 CG ASP A 126 -4.693 18.716 -4.561 1.00 0.00 C ATOM 1634 OD1 ASP A 126 -5.690 18.826 -5.318 1.00 0.00 O ATOM 1635 OD2 ASP A 126 -3.537 18.640 -5.018 1.00 0.00 O ATOM 0 H ASP A 126 -4.974 18.080 -0.602 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.370 17.168 -2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -5.613 19.483 -2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -3.958 18.952 -2.573 1.00 0.00 H new ATOM 1640 N THR A 127 -3.786 15.725 -1.954 1.00 0.00 N ATOM 1641 CA THR A 127 -2.838 14.680 -2.155 1.00 0.00 C ATOM 1642 C THR A 127 -3.178 13.559 -1.192 1.00 0.00 C ATOM 1643 O THR A 127 -4.137 13.692 -0.421 1.00 0.00 O ATOM 1644 CB THR A 127 -1.405 15.217 -1.924 1.00 0.00 C ATOM 1645 OG1 THR A 127 -0.422 14.203 -2.214 1.00 0.00 O ATOM 1646 CG2 THR A 127 -1.243 15.711 -0.503 1.00 0.00 C ATOM 0 H THR A 127 -3.865 16.033 -0.985 1.00 0.00 H new ATOM 0 HA THR A 127 -2.878 14.303 -3.177 1.00 0.00 H new ATOM 0 HB THR A 127 -1.247 16.054 -2.604 1.00 0.00 H new ATOM 0 HG1 THR A 127 0.476 14.565 -2.063 1.00 0.00 H new ATOM 0 HG21 THR A 127 -0.229 16.084 -0.361 1.00 0.00 H new ATOM 0 HG22 THR A 127 -1.955 16.514 -0.314 1.00 0.00 H new ATOM 0 HG23 THR A 127 -1.428 14.891 0.191 1.00 0.00 H new ATOM 1654 N CYS A 128 -2.436 12.475 -1.216 1.00 0.00 N ATOM 1655 CA CYS A 128 -2.739 11.369 -0.348 1.00 0.00 C ATOM 1656 C CYS A 128 -1.504 10.967 0.429 1.00 0.00 C ATOM 1657 O CYS A 128 -0.491 11.668 0.390 1.00 0.00 O ATOM 1658 CB CYS A 128 -3.231 10.175 -1.120 1.00 0.00 C ATOM 1659 SG CYS A 128 -4.055 10.523 -2.695 1.00 0.00 S ATOM 0 H CYS A 128 -1.627 12.339 -1.822 1.00 0.00 H new ATOM 0 HA CYS A 128 -3.527 11.696 0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.382 9.520 -1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.923 9.620 -0.487 1.00 0.00 H new ATOM 1664 N ALA A 129 -1.550 9.811 1.078 1.00 0.00 N ATOM 1665 CA ALA A 129 -0.429 9.383 1.838 1.00 0.00 C ATOM 1666 C ALA A 129 0.143 8.202 1.182 1.00 0.00 C ATOM 1667 O ALA A 129 -0.508 7.170 1.063 1.00 0.00 O ATOM 1668 CB ALA A 129 -0.871 8.995 3.257 1.00 0.00 C ATOM 0 H ALA A 129 -2.348 9.175 1.082 1.00 0.00 H new ATOM 0 HA ALA A 129 0.303 10.188 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.004 8.668 3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -1.326 9.857 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -1.597 8.184 3.203 1.00 0.00 H new ATOM 1674 N PHE A 130 1.369 8.303 0.789 1.00 0.00 N ATOM 1675 CA PHE A 130 1.974 7.212 0.138 1.00 0.00 C ATOM 1676 C PHE A 130 3.269 6.965 0.769 1.00 0.00 C ATOM 1677 O PHE A 130 4.026 7.906 1.028 1.00 0.00 O ATOM 1678 CB PHE A 130 2.241 7.461 -1.355 1.00 0.00 C ATOM 1679 CG PHE A 130 1.134 8.119 -2.141 1.00 0.00 C ATOM 1680 CD1 PHE A 130 -0.128 7.643 -2.065 1.00 0.00 C ATOM 1681 CD2 PHE A 130 1.386 9.189 -2.983 1.00 0.00 C ATOM 1682 CE1 PHE A 130 -1.142 8.196 -2.792 1.00 0.00 C ATOM 1683 CE2 PHE A 130 0.364 9.759 -3.718 1.00 0.00 C ATOM 1684 CZ PHE A 130 -0.906 9.245 -3.611 1.00 0.00 C ATOM 0 H PHE A 130 1.959 9.126 0.910 1.00 0.00 H new ATOM 0 HA PHE A 130 1.285 6.372 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 130 3.134 8.079 -1.442 1.00 0.00 H new ATOM 0 HB3 PHE A 130 2.469 6.504 -1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -0.339 6.807 -1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 130 2.389 9.581 -3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -2.141 7.792 -2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 130 0.561 10.598 -4.369 1.00 0.00 H new ATOM 0 HZ PHE A 130 -1.715 9.679 -4.181 1.00 0.00 H new ATOM 1694 N LEU A 131 3.495 5.757 1.080 1.00 0.00 N ATOM 1695 CA LEU A 131 4.784 5.336 1.490 1.00 0.00 C ATOM 1696 C LEU A 131 5.718 5.206 0.283 1.00 0.00 C ATOM 1697 O LEU A 131 5.419 4.528 -0.693 1.00 0.00 O ATOM 1698 CB LEU A 131 4.655 4.048 2.215 1.00 0.00 C ATOM 1699 CG LEU A 131 5.902 3.301 2.498 1.00 0.00 C ATOM 1700 CD1 LEU A 131 6.813 4.071 3.374 1.00 0.00 C ATOM 1701 CD2 LEU A 131 5.595 1.967 3.077 1.00 0.00 C ATOM 0 H LEU A 131 2.792 5.018 1.061 1.00 0.00 H new ATOM 0 HA LEU A 131 5.222 6.079 2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 131 4.156 4.243 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.997 3.400 1.637 1.00 0.00 H new ATOM 0 HG LEU A 131 6.421 3.149 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 131 7.717 3.490 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.078 5.010 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.316 4.281 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 131 6.525 1.435 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.041 2.093 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.994 1.394 2.371 1.00 0.00 H new ATOM 1713 N HIS A 132 6.819 5.900 0.363 1.00 0.00 N ATOM 1714 CA HIS A 132 7.831 5.929 -0.678 1.00 0.00 C ATOM 1715 C HIS A 132 8.611 4.646 -0.675 1.00 0.00 C ATOM 1716 O HIS A 132 9.321 4.380 0.244 1.00 0.00 O ATOM 1717 CB HIS A 132 8.796 7.078 -0.395 1.00 0.00 C ATOM 1718 CG HIS A 132 9.673 7.513 -1.525 1.00 0.00 C ATOM 1719 ND1 HIS A 132 10.627 8.480 -1.383 1.00 0.00 N ATOM 1720 CD2 HIS A 132 9.726 7.132 -2.809 1.00 0.00 C ATOM 1721 CE1 HIS A 132 11.226 8.677 -2.519 1.00 0.00 C ATOM 1722 NE2 HIS A 132 10.701 7.875 -3.410 1.00 0.00 N ATOM 0 H HIS A 132 7.051 6.478 1.170 1.00 0.00 H new ATOM 0 HA HIS A 132 7.345 6.059 -1.645 1.00 0.00 H new ATOM 0 HB2 HIS A 132 8.213 7.938 -0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 132 9.435 6.788 0.439 1.00 0.00 H new ATOM 0 HD1 HIS A 132 10.838 8.973 -0.515 1.00 0.00 H new ATOM 0 HD2 HIS A 132 9.112 6.378 -3.280 1.00 0.00 H new ATOM 0 HE1 HIS A 132 12.023 9.384 -2.698 1.00 0.00 H new ATOM 1731 N ILE A 133 8.530 3.940 -1.748 1.00 0.00 N ATOM 1732 CA ILE A 133 9.218 2.677 -1.967 1.00 0.00 C ATOM 1733 C ILE A 133 10.729 2.824 -1.870 1.00 0.00 C ATOM 1734 O ILE A 133 11.439 1.911 -1.444 1.00 0.00 O ATOM 1735 CB ILE A 133 8.796 2.084 -3.357 1.00 0.00 C ATOM 1736 CG1 ILE A 133 7.497 1.272 -3.262 1.00 0.00 C ATOM 1737 CG2 ILE A 133 9.905 1.353 -4.120 1.00 0.00 C ATOM 1738 CD1 ILE A 133 7.476 0.266 -2.175 1.00 0.00 C ATOM 0 H ILE A 133 7.961 4.224 -2.545 1.00 0.00 H new ATOM 0 HA ILE A 133 8.922 1.987 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 133 8.593 2.955 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 133 6.664 1.960 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 133 7.331 0.764 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.512 0.981 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.728 2.041 -4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.266 0.515 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.521 -0.259 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 133 8.285 -0.449 -2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.607 0.765 -1.215 1.00 0.00 H new ATOM 1750 N LYS A 134 11.194 3.987 -2.206 1.00 0.00 N ATOM 1751 CA LYS A 134 12.618 4.222 -2.236 1.00 0.00 C ATOM 1752 C LYS A 134 13.192 4.482 -0.852 1.00 0.00 C ATOM 1753 O LYS A 134 14.176 3.861 -0.455 1.00 0.00 O ATOM 1754 CB LYS A 134 12.965 5.357 -3.184 1.00 0.00 C ATOM 1755 CG LYS A 134 12.674 5.050 -4.653 1.00 0.00 C ATOM 1756 CD LYS A 134 12.896 6.251 -5.556 1.00 0.00 C ATOM 1757 CE LYS A 134 14.261 6.839 -5.356 1.00 0.00 C ATOM 1758 NZ LYS A 134 14.482 8.046 -6.176 1.00 0.00 N ATOM 0 H LYS A 134 10.619 4.789 -2.463 1.00 0.00 H new ATOM 0 HA LYS A 134 13.079 3.307 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 134 12.405 6.245 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.023 5.597 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.312 4.230 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.643 4.711 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.775 5.953 -6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.138 7.007 -5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.395 7.089 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 134 15.015 6.092 -5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.439 8.414 -6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.382 7.805 -7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.781 8.771 -5.922 1.00 0.00 H new ATOM 1772 N THR A 135 12.570 5.371 -0.109 1.00 0.00 N ATOM 1773 CA THR A 135 13.127 5.757 1.180 1.00 0.00 C ATOM 1774 C THR A 135 12.296 5.269 2.366 1.00 0.00 C ATOM 1775 O THR A 135 12.824 5.027 3.451 1.00 0.00 O ATOM 1776 CB THR A 135 13.302 7.281 1.252 1.00 0.00 C ATOM 1777 OG1 THR A 135 12.050 7.929 0.969 1.00 0.00 O ATOM 1778 CG2 THR A 135 14.347 7.752 0.255 1.00 0.00 C ATOM 0 H THR A 135 11.697 5.834 -0.362 1.00 0.00 H new ATOM 0 HA THR A 135 14.099 5.269 1.254 1.00 0.00 H new ATOM 0 HB THR A 135 13.634 7.540 2.258 1.00 0.00 H new ATOM 0 HG1 THR A 135 11.791 7.748 0.041 1.00 0.00 H new ATOM 0 HG21 THR A 135 14.454 8.835 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 135 15.303 7.278 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 135 14.035 7.482 -0.754 1.00 0.00 H new ATOM 1786 N GLY A 136 11.018 5.103 2.157 1.00 0.00 N ATOM 1787 CA GLY A 136 10.141 4.700 3.230 1.00 0.00 C ATOM 1788 C GLY A 136 9.637 5.856 3.979 1.00 0.00 C ATOM 1789 O GLY A 136 9.610 5.850 5.187 1.00 0.00 O ATOM 0 H GLY A 136 10.559 5.239 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 136 9.302 4.136 2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.675 4.033 3.906 1.00 0.00 H new ATOM 1793 N GLU A 137 9.250 6.843 3.257 1.00 0.00 N ATOM 1794 CA GLU A 137 8.752 8.042 3.826 1.00 0.00 C ATOM 1795 C GLU A 137 7.348 8.262 3.384 1.00 0.00 C ATOM 1796 O GLU A 137 6.974 7.867 2.277 1.00 0.00 O ATOM 1797 CB GLU A 137 9.613 9.178 3.427 1.00 0.00 C ATOM 1798 CG GLU A 137 11.001 9.103 4.021 1.00 0.00 C ATOM 1799 CD GLU A 137 11.865 10.238 3.569 1.00 0.00 C ATOM 1800 OE1 GLU A 137 12.375 10.191 2.415 1.00 0.00 O ATOM 1801 OE2 GLU A 137 12.049 11.200 4.323 1.00 0.00 O ATOM 0 H GLU A 137 9.270 6.841 2.237 1.00 0.00 H new ATOM 0 HA GLU A 137 8.764 7.964 4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 137 9.690 9.205 2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 137 9.141 10.111 3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 137 10.931 9.111 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 137 11.466 8.158 3.739 1.00 0.00 H new ATOM 1808 N TRP A 138 6.575 8.845 4.244 1.00 0.00 N ATOM 1809 CA TRP A 138 5.182 9.036 4.007 1.00 0.00 C ATOM 1810 C TRP A 138 4.875 10.450 3.642 1.00 0.00 C ATOM 1811 O TRP A 138 5.558 11.389 4.064 1.00 0.00 O ATOM 1812 CB TRP A 138 4.376 8.669 5.238 1.00 0.00 C ATOM 1813 CG TRP A 138 4.667 7.328 5.780 1.00 0.00 C ATOM 1814 CD1 TRP A 138 5.343 6.319 5.181 1.00 0.00 C ATOM 1815 CD2 TRP A 138 4.258 6.828 7.031 1.00 0.00 C ATOM 1816 NE1 TRP A 138 5.422 5.275 6.019 1.00 0.00 N ATOM 1817 CE2 TRP A 138 4.762 5.546 7.138 1.00 0.00 C ATOM 1818 CE3 TRP A 138 3.533 7.346 8.070 1.00 0.00 C ATOM 1819 CZ2 TRP A 138 4.575 4.765 8.221 1.00 0.00 C ATOM 1820 CZ3 TRP A 138 3.326 6.549 9.178 1.00 0.00 C ATOM 1821 CH2 TRP A 138 3.854 5.263 9.240 1.00 0.00 C ATOM 0 H TRP A 138 6.899 9.206 5.141 1.00 0.00 H new ATOM 0 HA TRP A 138 4.910 8.387 3.175 1.00 0.00 H new ATOM 0 HB2 TRP A 138 4.564 9.410 6.015 1.00 0.00 H new ATOM 0 HB3 TRP A 138 3.315 8.726 4.993 1.00 0.00 H new ATOM 0 HD1 TRP A 138 5.755 6.350 4.183 1.00 0.00 H new ATOM 0 HE1 TRP A 138 5.915 4.403 5.825 1.00 0.00 H new ATOM 0 HE3 TRP A 138 3.135 8.349 8.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 4.992 3.770 8.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 2.747 6.928 10.007 1.00 0.00 H new ATOM 0 HH2 TRP A 138 3.682 4.658 10.118 1.00 0.00 H new ATOM 1832 N LYS A 139 3.840 10.579 2.898 1.00 0.00 N ATOM 1833 CA LYS A 139 3.313 11.817 2.438 1.00 0.00 C ATOM 1834 C LYS A 139 2.005 12.025 3.046 1.00 0.00 C ATOM 1835 O LYS A 139 1.311 11.089 3.327 1.00 0.00 O ATOM 1836 CB LYS A 139 3.250 11.800 0.927 1.00 0.00 C ATOM 1837 CG LYS A 139 4.616 12.002 0.378 1.00 0.00 C ATOM 1838 CD LYS A 139 4.722 11.889 -1.127 1.00 0.00 C ATOM 1839 CE LYS A 139 4.400 10.502 -1.629 1.00 0.00 C ATOM 1840 NZ LYS A 139 4.575 10.416 -3.093 1.00 0.00 N ATOM 0 H LYS A 139 3.302 9.776 2.572 1.00 0.00 H new ATOM 0 HA LYS A 139 3.953 12.650 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 139 2.842 10.851 0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 139 2.582 12.584 0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.971 12.988 0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 139 5.285 11.270 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 139 4.044 12.606 -1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 139 5.731 12.159 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 139 5.047 9.774 -1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 139 3.374 10.245 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 4.701 9.421 -3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 3.734 10.803 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 5.414 10.963 -3.375 1.00 0.00 H new ATOM 1854 N LYS A 140 1.715 13.222 3.321 1.00 0.00 N ATOM 1855 CA LYS A 140 0.480 13.557 3.980 1.00 0.00 C ATOM 1856 C LYS A 140 -0.629 13.772 3.005 1.00 0.00 C ATOM 1857 O LYS A 140 -0.457 14.513 2.064 1.00 0.00 O ATOM 1858 CB LYS A 140 0.616 14.810 4.795 1.00 0.00 C ATOM 1859 CG LYS A 140 1.444 14.707 6.033 1.00 0.00 C ATOM 1860 CD LYS A 140 1.294 15.980 6.802 1.00 0.00 C ATOM 1861 CE LYS A 140 2.083 15.970 8.092 1.00 0.00 C ATOM 1862 NZ LYS A 140 1.839 17.188 8.892 1.00 0.00 N ATOM 0 H LYS A 140 2.312 14.020 3.106 1.00 0.00 H new ATOM 0 HA LYS A 140 0.247 12.710 4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 140 1.044 15.586 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -0.382 15.144 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 140 1.122 13.858 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 140 2.490 14.538 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 140 1.623 16.816 6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 140 0.240 16.145 7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 140 1.813 15.091 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 140 3.147 15.889 7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 2.397 17.145 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 2.120 18.026 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 0.828 17.252 9.128 1.00 0.00 H new ATOM 1876 N GLY A 141 -1.756 13.139 3.249 1.00 0.00 N ATOM 1877 CA GLY A 141 -2.920 13.348 2.460 1.00 0.00 C ATOM 1878 C GLY A 141 -3.929 12.235 2.628 1.00 0.00 C ATOM 1879 O GLY A 141 -3.797 11.385 3.501 1.00 0.00 O ATOM 0 H GLY A 141 -1.877 12.466 4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -3.379 14.297 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.637 13.424 1.410 1.00 0.00 H new ATOM 1883 N ASN A 142 -4.900 12.240 1.764 1.00 0.00 N ATOM 1884 CA ASN A 142 -5.960 11.255 1.692 1.00 0.00 C ATOM 1885 C ASN A 142 -6.268 11.007 0.231 1.00 0.00 C ATOM 1886 O ASN A 142 -6.331 11.949 -0.547 1.00 0.00 O ATOM 1887 CB ASN A 142 -7.231 11.695 2.475 1.00 0.00 C ATOM 1888 CG ASN A 142 -7.728 13.141 2.233 1.00 0.00 C ATOM 1889 OD1 ASN A 142 -7.511 13.688 1.073 1.00 0.00 O flip ATOM 1890 ND2 ASN A 142 -8.306 13.753 3.119 1.00 0.00 N flip ATOM 0 H ASN A 142 -4.987 12.964 1.051 1.00 0.00 H new ATOM 0 HA ASN A 142 -5.627 10.333 2.168 1.00 0.00 H new ATOM 0 HB2 ASN A 142 -8.040 11.010 2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 142 -7.033 11.577 3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 142 -8.468 13.309 4.023 1.00 0.00 H new ATOM 0 HD22 ASN A 142 -8.626 14.707 2.954 1.00 0.00 H new ATOM 1897 N CYS A 143 -6.429 9.780 -0.176 1.00 0.00 N ATOM 1898 CA CYS A 143 -6.623 9.530 -1.581 1.00 0.00 C ATOM 1899 C CYS A 143 -8.012 9.679 -2.040 1.00 0.00 C ATOM 1900 O CYS A 143 -8.678 8.730 -2.390 1.00 0.00 O ATOM 1901 CB CYS A 143 -5.968 8.278 -2.108 1.00 0.00 C ATOM 1902 SG CYS A 143 -4.609 8.665 -3.254 1.00 0.00 S ATOM 0 H CYS A 143 -6.431 8.955 0.424 1.00 0.00 H new ATOM 0 HA CYS A 143 -6.070 10.348 -2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.585 7.688 -1.275 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -6.711 7.665 -2.618 1.00 0.00 H new ATOM 1907 N GLU A 144 -8.431 10.893 -2.032 1.00 0.00 N ATOM 1908 CA GLU A 144 -9.731 11.282 -2.500 1.00 0.00 C ATOM 1909 C GLU A 144 -9.645 11.636 -3.983 1.00 0.00 C ATOM 1910 O GLU A 144 -10.491 12.330 -4.538 1.00 0.00 O ATOM 1911 CB GLU A 144 -10.249 12.450 -1.668 1.00 0.00 C ATOM 1912 CG GLU A 144 -10.370 12.155 -0.170 1.00 0.00 C ATOM 1913 CD GLU A 144 -11.366 11.079 0.154 1.00 0.00 C ATOM 1914 OE1 GLU A 144 -12.586 11.332 0.081 1.00 0.00 O ATOM 1915 OE2 GLU A 144 -10.953 9.955 0.491 1.00 0.00 O ATOM 0 H GLU A 144 -7.869 11.673 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 144 -10.436 10.458 -2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -9.583 13.302 -1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -11.227 12.745 -2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -9.393 11.861 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -10.655 13.070 0.350 1.00 0.00 H new ATOM 1922 N VAL A 145 -8.643 11.084 -4.607 1.00 0.00 N ATOM 1923 CA VAL A 145 -8.354 11.294 -6.001 1.00 0.00 C ATOM 1924 C VAL A 145 -8.538 9.989 -6.726 1.00 0.00 C ATOM 1925 O VAL A 145 -8.428 8.927 -6.130 1.00 0.00 O ATOM 1926 CB VAL A 145 -6.912 11.826 -6.246 1.00 0.00 C ATOM 1927 CG1 VAL A 145 -6.682 13.092 -5.468 1.00 0.00 C ATOM 1928 CG2 VAL A 145 -5.847 10.785 -5.914 1.00 0.00 C ATOM 0 H VAL A 145 -7.984 10.456 -4.147 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.038 12.056 -6.374 1.00 0.00 H new ATOM 0 HB VAL A 145 -6.822 12.043 -7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -5.669 13.452 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -7.399 13.849 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -6.811 12.894 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -4.858 11.204 -6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -5.929 10.503 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -5.992 9.904 -6.539 1.00 0.00 H new ATOM 1938 N SER A 146 -8.777 10.060 -7.989 1.00 0.00 N ATOM 1939 CA SER A 146 -9.073 8.884 -8.764 1.00 0.00 C ATOM 1940 C SER A 146 -7.837 8.173 -9.279 1.00 0.00 C ATOM 1941 O SER A 146 -7.931 7.083 -9.827 1.00 0.00 O ATOM 1942 CB SER A 146 -9.983 9.252 -9.889 1.00 0.00 C ATOM 1943 OG SER A 146 -11.114 9.943 -9.380 1.00 0.00 O ATOM 0 H SER A 146 -8.775 10.929 -8.523 1.00 0.00 H new ATOM 0 HA SER A 146 -9.565 8.173 -8.101 1.00 0.00 H new ATOM 0 HB2 SER A 146 -9.454 9.878 -10.608 1.00 0.00 H new ATOM 0 HB3 SER A 146 -10.301 8.355 -10.421 1.00 0.00 H new ATOM 0 HG SER A 146 -11.356 9.574 -8.505 1.00 0.00 H new ATOM 1949 N SER A 147 -6.691 8.762 -9.061 1.00 0.00 N ATOM 1950 CA SER A 147 -5.446 8.277 -9.620 1.00 0.00 C ATOM 1951 C SER A 147 -4.843 7.062 -8.891 1.00 0.00 C ATOM 1952 O SER A 147 -3.658 6.783 -9.044 1.00 0.00 O ATOM 1953 CB SER A 147 -4.461 9.417 -9.651 1.00 0.00 C ATOM 1954 OG SER A 147 -5.052 10.561 -10.259 1.00 0.00 O ATOM 0 H SER A 147 -6.589 9.599 -8.487 1.00 0.00 H new ATOM 0 HA SER A 147 -5.668 7.915 -10.624 1.00 0.00 H new ATOM 0 HB2 SER A 147 -4.142 9.659 -8.637 1.00 0.00 H new ATOM 0 HB3 SER A 147 -3.569 9.122 -10.204 1.00 0.00 H new ATOM 0 HG SER A 147 -4.404 11.296 -10.272 1.00 0.00 H new ATOM 1960 N VAL A 148 -5.634 6.312 -8.168 1.00 0.00 N ATOM 1961 CA VAL A 148 -5.065 5.176 -7.471 1.00 0.00 C ATOM 1962 C VAL A 148 -5.275 3.917 -8.256 1.00 0.00 C ATOM 1963 O VAL A 148 -6.400 3.558 -8.618 1.00 0.00 O ATOM 1964 CB VAL A 148 -5.540 4.965 -6.033 1.00 0.00 C ATOM 1965 CG1 VAL A 148 -4.594 4.022 -5.341 1.00 0.00 C ATOM 1966 CG2 VAL A 148 -5.682 6.280 -5.306 1.00 0.00 C ATOM 0 H VAL A 148 -6.637 6.454 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 148 -4.006 5.420 -7.390 1.00 0.00 H new ATOM 0 HB VAL A 148 -6.533 4.516 -6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.924 3.864 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -4.581 3.068 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -3.591 4.449 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -6.021 6.097 -4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -4.718 6.789 -5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -6.409 6.905 -5.824 1.00 0.00 H new ATOM 1976 N GLU A 149 -4.193 3.279 -8.532 1.00 0.00 N ATOM 1977 CA GLU A 149 -4.169 2.093 -9.335 1.00 0.00 C ATOM 1978 C GLU A 149 -3.596 0.928 -8.592 1.00 0.00 C ATOM 1979 O GLU A 149 -3.297 -0.080 -9.196 1.00 0.00 O ATOM 1980 CB GLU A 149 -3.384 2.301 -10.596 1.00 0.00 C ATOM 1981 CG GLU A 149 -3.973 3.277 -11.577 1.00 0.00 C ATOM 1982 CD GLU A 149 -2.988 3.593 -12.660 1.00 0.00 C ATOM 1983 OE1 GLU A 149 -2.893 2.838 -13.653 1.00 0.00 O ATOM 1984 OE2 GLU A 149 -2.249 4.571 -12.522 1.00 0.00 O ATOM 0 H GLU A 149 -3.273 3.569 -8.200 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.206 1.874 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -2.384 2.642 -10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -3.269 1.338 -11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -4.880 2.860 -12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -4.260 4.193 -11.060 1.00 0.00 H new ATOM 1991 N GLY A 150 -3.397 1.071 -7.323 1.00 0.00 N ATOM 1992 CA GLY A 150 -2.861 -0.013 -6.565 1.00 0.00 C ATOM 1993 C GLY A 150 -2.693 0.322 -5.129 1.00 0.00 C ATOM 1994 O GLY A 150 -2.210 1.398 -4.787 1.00 0.00 O ATOM 0 H GLY A 150 -3.595 1.919 -6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -3.519 -0.877 -6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.896 -0.301 -6.982 1.00 0.00 H new ATOM 1998 N THR A 151 -3.082 -0.580 -4.297 1.00 0.00 N ATOM 1999 CA THR A 151 -2.964 -0.420 -2.888 1.00 0.00 C ATOM 2000 C THR A 151 -2.434 -1.688 -2.286 1.00 0.00 C ATOM 2001 O THR A 151 -2.584 -2.781 -2.869 1.00 0.00 O ATOM 2002 CB THR A 151 -4.315 -0.044 -2.221 1.00 0.00 C ATOM 2003 OG1 THR A 151 -4.179 -0.053 -0.804 1.00 0.00 O ATOM 2004 CG2 THR A 151 -5.433 -0.988 -2.632 1.00 0.00 C ATOM 0 H THR A 151 -3.499 -1.466 -4.581 1.00 0.00 H new ATOM 0 HA THR A 151 -2.274 0.403 -2.704 1.00 0.00 H new ATOM 0 HB THR A 151 -4.580 0.957 -2.561 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.247 -0.973 -0.475 1.00 0.00 H new ATOM 0 HG21 THR A 151 -6.360 -0.689 -2.143 1.00 0.00 H new ATOM 0 HG22 THR A 151 -5.564 -0.948 -3.713 1.00 0.00 H new ATOM 0 HG23 THR A 151 -5.178 -2.005 -2.335 1.00 0.00 H new ATOM 2012 N LEU A 152 -1.753 -1.551 -1.179 1.00 0.00 N ATOM 2013 CA LEU A 152 -1.295 -2.679 -0.480 1.00 0.00 C ATOM 2014 C LEU A 152 -2.317 -3.016 0.539 1.00 0.00 C ATOM 2015 O LEU A 152 -2.839 -2.137 1.237 1.00 0.00 O ATOM 2016 CB LEU A 152 0.025 -2.464 0.216 1.00 0.00 C ATOM 2017 CG LEU A 152 0.537 -3.745 0.848 1.00 0.00 C ATOM 2018 CD1 LEU A 152 1.222 -4.670 -0.102 1.00 0.00 C ATOM 2019 CD2 LEU A 152 1.335 -3.509 2.028 1.00 0.00 C ATOM 0 H LEU A 152 -1.512 -0.655 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.139 -3.478 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 152 0.758 -2.092 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.088 -1.698 0.984 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.367 -4.265 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 152 1.556 -5.559 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 152 0.528 -4.960 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 152 2.083 -4.167 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.673 -4.462 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 152 2.200 -2.899 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 152 0.736 -2.987 2.774 1.00 0.00 H new ATOM 2031 N CYS A 153 -2.624 -4.231 0.619 1.00 0.00 N ATOM 2032 CA CYS A 153 -3.577 -4.670 1.536 1.00 0.00 C ATOM 2033 C CYS A 153 -2.910 -5.402 2.634 1.00 0.00 C ATOM 2034 O CYS A 153 -1.937 -6.127 2.417 1.00 0.00 O ATOM 2035 CB CYS A 153 -4.553 -5.547 0.843 1.00 0.00 C ATOM 2036 SG CYS A 153 -5.197 -4.775 -0.653 1.00 0.00 S ATOM 0 H CYS A 153 -2.216 -4.966 0.042 1.00 0.00 H new ATOM 0 HA CYS A 153 -4.106 -3.816 1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -4.075 -6.493 0.588 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -5.378 -5.778 1.517 1.00 0.00 H new ATOM 2041 N LYS A 154 -3.413 -5.196 3.782 1.00 0.00 N ATOM 2042 CA LYS A 154 -2.950 -5.814 4.958 1.00 0.00 C ATOM 2043 C LYS A 154 -4.153 -6.386 5.646 1.00 0.00 C ATOM 2044 O LYS A 154 -5.193 -5.740 5.736 1.00 0.00 O ATOM 2045 CB LYS A 154 -2.230 -4.796 5.842 1.00 0.00 C ATOM 2046 CG LYS A 154 -1.781 -5.317 7.187 1.00 0.00 C ATOM 2047 CD LYS A 154 -1.088 -4.226 7.985 1.00 0.00 C ATOM 2048 CE LYS A 154 -0.559 -4.758 9.303 1.00 0.00 C ATOM 2049 NZ LYS A 154 -1.622 -5.082 10.271 1.00 0.00 N ATOM 0 H LYS A 154 -4.197 -4.562 3.938 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.230 -6.603 4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.358 -4.424 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -2.892 -3.945 6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -2.641 -5.690 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -1.102 -6.159 7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -0.266 -3.812 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -1.787 -3.411 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 154 0.035 -5.652 9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 154 0.110 -4.018 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -1.341 -4.756 11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -2.504 -4.608 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -1.773 -6.111 10.290 1.00 0.00 H new ATOM 2063 N THR A 155 -4.050 -7.570 6.066 1.00 0.00 N ATOM 2064 CA THR A 155 -5.137 -8.213 6.698 1.00 0.00 C ATOM 2065 C THR A 155 -4.607 -8.861 7.946 1.00 0.00 C ATOM 2066 O THR A 155 -3.597 -9.566 7.903 1.00 0.00 O ATOM 2067 CB THR A 155 -5.810 -9.252 5.728 1.00 0.00 C ATOM 2068 OG1 THR A 155 -7.041 -9.753 6.262 1.00 0.00 O ATOM 2069 CG2 THR A 155 -4.879 -10.416 5.408 1.00 0.00 C ATOM 0 H THR A 155 -3.206 -8.137 5.986 1.00 0.00 H new ATOM 0 HA THR A 155 -5.917 -7.498 6.961 1.00 0.00 H new ATOM 0 HB THR A 155 -6.022 -8.715 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 155 -7.433 -10.394 5.633 1.00 0.00 H new ATOM 0 HG21 THR A 155 -5.383 -11.110 4.735 1.00 0.00 H new ATOM 0 HG22 THR A 155 -3.975 -10.038 4.930 1.00 0.00 H new ATOM 0 HG23 THR A 155 -4.613 -10.933 6.330 1.00 0.00 H new ATOM 2077 N ALA A 156 -5.182 -8.543 9.053 1.00 0.00 N ATOM 2078 CA ALA A 156 -4.759 -9.132 10.280 1.00 0.00 C ATOM 2079 C ALA A 156 -5.263 -10.525 10.337 1.00 0.00 C ATOM 2080 O ALA A 156 -6.430 -10.767 10.023 1.00 0.00 O ATOM 2081 CB ALA A 156 -5.298 -8.371 11.442 1.00 0.00 C ATOM 0 H ALA A 156 -5.949 -7.876 9.137 1.00 0.00 H new ATOM 0 HA ALA A 156 -3.670 -9.115 10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -4.963 -8.837 12.369 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -4.938 -7.343 11.402 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -6.387 -8.376 11.406 1.00 0.00 H new ATOM 2087 N ILE A 157 -4.420 -11.445 10.690 1.00 0.00 N ATOM 2088 CA ILE A 157 -4.852 -12.765 10.795 1.00 0.00 C ATOM 2089 C ILE A 157 -5.118 -13.151 12.257 1.00 0.00 C ATOM 2090 O ILE A 157 -4.221 -13.240 13.094 1.00 0.00 O ATOM 2091 CB ILE A 157 -3.905 -13.738 10.160 1.00 0.00 C ATOM 2092 CG1 ILE A 157 -2.551 -13.525 10.703 1.00 0.00 C ATOM 2093 CG2 ILE A 157 -3.917 -13.578 8.636 1.00 0.00 C ATOM 2094 CD1 ILE A 157 -1.677 -14.622 10.409 1.00 0.00 C ATOM 0 H ILE A 157 -3.436 -11.287 10.906 1.00 0.00 H new ATOM 0 HA ILE A 157 -5.790 -12.823 10.242 1.00 0.00 H new ATOM 0 HB ILE A 157 -4.221 -14.756 10.390 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -2.134 -12.608 10.288 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -2.611 -13.388 11.783 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -3.224 -14.291 8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -4.923 -13.764 8.259 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -3.613 -12.565 8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -0.690 -14.423 10.827 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -2.080 -15.535 10.847 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -1.595 -14.743 9.329 1.00 0.00 H new ATOM 2106 N PRO A 158 -6.358 -13.380 12.561 1.00 0.00 N ATOM 2107 CA PRO A 158 -6.806 -13.799 13.878 1.00 0.00 C ATOM 2108 C PRO A 158 -6.618 -15.288 14.085 1.00 0.00 C ATOM 2109 O PRO A 158 -7.023 -15.869 15.088 1.00 0.00 O ATOM 2110 CB PRO A 158 -8.271 -13.421 13.906 1.00 0.00 C ATOM 2111 CG PRO A 158 -8.664 -13.086 12.497 1.00 0.00 C ATOM 2112 CD PRO A 158 -7.438 -13.179 11.640 1.00 0.00 C ATOM 0 HA PRO A 158 -6.236 -13.326 14.678 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -8.874 -14.244 14.290 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -8.437 -12.569 14.566 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -9.431 -13.774 12.141 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -9.088 -12.083 12.448 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -7.512 -14.005 10.932 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -7.295 -12.270 11.056 1.00 0.00 H new ATOM 2120 N TYR A 159 -5.984 -15.871 13.131 1.00 0.00 N ATOM 2121 CA TYR A 159 -5.671 -17.268 13.124 1.00 0.00 C ATOM 2122 C TYR A 159 -4.564 -17.521 14.112 1.00 0.00 C ATOM 2123 O TYR A 159 -4.665 -18.369 14.995 1.00 0.00 O ATOM 2124 CB TYR A 159 -5.233 -17.715 11.735 1.00 0.00 C ATOM 2125 CG TYR A 159 -6.264 -17.614 10.669 1.00 0.00 C ATOM 2126 CD1 TYR A 159 -6.552 -16.404 10.135 1.00 0.00 C ATOM 2127 CD2 TYR A 159 -6.901 -18.731 10.159 1.00 0.00 C ATOM 2128 CE1 TYR A 159 -7.439 -16.263 9.126 1.00 0.00 C ATOM 2129 CE2 TYR A 159 -7.819 -18.611 9.138 1.00 0.00 C ATOM 2130 CZ TYR A 159 -8.083 -17.368 8.620 1.00 0.00 C ATOM 2131 OH TYR A 159 -8.988 -17.229 7.588 1.00 0.00 O ATOM 0 H TYR A 159 -5.654 -15.377 12.302 1.00 0.00 H new ATOM 0 HA TYR A 159 -6.559 -17.836 13.401 1.00 0.00 H new ATOM 0 HB2 TYR A 159 -4.370 -17.119 11.437 1.00 0.00 H new ATOM 0 HB3 TYR A 159 -4.900 -18.751 11.795 1.00 0.00 H new ATOM 0 HD1 TYR A 159 -6.059 -15.527 10.527 1.00 0.00 H new ATOM 0 HD2 TYR A 159 -6.677 -19.706 10.565 1.00 0.00 H new ATOM 0 HE1 TYR A 159 -7.642 -15.284 8.717 1.00 0.00 H new ATOM 0 HE2 TYR A 159 -8.324 -19.484 8.751 1.00 0.00 H new ATOM 0 HH TYR A 159 -9.350 -18.108 7.350 1.00 0.00 H new ATOM 2141 N LYS A 160 -3.542 -16.718 14.001 1.00 0.00 N ATOM 2142 CA LYS A 160 -2.371 -16.822 14.839 1.00 0.00 C ATOM 2143 C LYS A 160 -2.318 -15.686 15.846 1.00 0.00 C ATOM 2144 O LYS A 160 -1.277 -15.424 16.430 1.00 0.00 O ATOM 2145 CB LYS A 160 -1.109 -16.812 13.980 1.00 0.00 C ATOM 2146 CG LYS A 160 -0.943 -18.021 13.085 1.00 0.00 C ATOM 2147 CD LYS A 160 0.321 -17.930 12.234 1.00 0.00 C ATOM 2148 CE LYS A 160 1.587 -17.930 13.078 1.00 0.00 C ATOM 2149 NZ LYS A 160 2.795 -17.695 12.261 1.00 0.00 N ATOM 0 H LYS A 160 -3.495 -15.962 13.318 1.00 0.00 H new ATOM 0 HA LYS A 160 -2.428 -17.763 15.386 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -1.115 -15.916 13.360 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.241 -16.740 14.635 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -0.905 -18.923 13.696 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -1.813 -18.113 12.435 1.00 0.00 H new ATOM 0 HD2 LYS A 160 0.350 -18.770 11.540 1.00 0.00 H new ATOM 0 HD3 LYS A 160 0.287 -17.021 11.634 1.00 0.00 H new ATOM 0 HE2 LYS A 160 1.512 -17.159 13.845 1.00 0.00 H new ATOM 0 HE3 LYS A 160 1.679 -18.885 13.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 3.635 -17.703 12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 2.881 -18.445 11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 2.720 -16.772 11.788 1.00 0.00 H new ATOM 2163 N ARG A 161 -3.432 -15.027 16.052 1.00 0.00 N ATOM 2164 CA ARG A 161 -3.489 -13.943 17.001 1.00 0.00 C ATOM 2165 C ARG A 161 -3.920 -14.486 18.340 1.00 0.00 C ATOM 2166 O ARG A 161 -5.122 -14.732 18.530 1.00 0.00 O ATOM 2167 CB ARG A 161 -4.424 -12.819 16.530 1.00 0.00 C ATOM 2168 CG ARG A 161 -4.568 -11.672 17.530 1.00 0.00 C ATOM 2169 CD ARG A 161 -5.273 -10.477 16.916 1.00 0.00 C ATOM 2170 NE ARG A 161 -4.422 -9.792 15.934 1.00 0.00 N ATOM 2171 CZ ARG A 161 -4.789 -8.770 15.152 1.00 0.00 C ATOM 2172 NH1 ARG A 161 -6.060 -8.359 15.119 1.00 0.00 N ATOM 2173 NH2 ARG A 161 -3.886 -8.176 14.387 1.00 0.00 N ATOM 2174 OXT ARG A 161 -3.059 -14.706 19.199 1.00 0.00 O ATOM 0 H ARG A 161 -4.312 -15.223 15.575 1.00 0.00 H new ATOM 0 HA ARG A 161 -2.496 -13.502 17.090 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -4.050 -12.421 15.587 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -5.410 -13.240 16.330 1.00 0.00 H new ATOM 0 HG2 ARG A 161 -5.126 -12.016 18.400 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -3.582 -11.371 17.883 1.00 0.00 H new ATOM 0 HD2 ARG A 161 -6.194 -10.805 16.434 1.00 0.00 H new ATOM 0 HD3 ARG A 161 -5.557 -9.778 17.703 1.00 0.00 H new ATOM 0 HE ARG A 161 -3.463 -10.126 15.839 1.00 0.00 H new ATOM 0 HH11 ARG A 161 -6.762 -8.825 15.694 1.00 0.00 H new ATOM 0 HH12 ARG A 161 -6.328 -7.579 14.519 1.00 0.00 H new ATOM 0 HH21 ARG A 161 -2.918 -8.498 14.396 1.00 0.00 H new ATOM 0 HH22 ARG A 161 -4.158 -7.396 13.788 1.00 0.00 H new TER 2188 ARG A 161