USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 841 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 76 TYR OH : rot 88:sc= 1.98 USER MOD Set 1.2: A 87 TYR OH : rot 80:sc= 1.05 USER MOD Set 2.1: A 69 MET CE :methyl -169:sc= -17.4! (180deg=-17.1!) USER MOD Set 2.2: A 89 GLN : amide:sc= -7.22! C(o=-25!,f=-28!) USER MOD Set 3.1: A 58 SER OG : rot -6:sc= -2.88! USER MOD Set 3.2: A 113 ASN : amide:sc= -8.23! C(o=-11!,f=-17!) USER MOD Set 4.1: A 12 THR OG1 : rot 33:sc= 0.0659 USER MOD Set 4.2: A 15 SER OG : rot -20:sc= 0.484 USER MOD Single : A 8 SER OG : rot 180:sc= -0.258 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 11 TYR OH : rot 30:sc= -1.25 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.2) USER MOD Single : A 36 SER OG : rot -68:sc= -0.313 USER MOD Single : A 41 ASN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.976 USER MOD Single : A 50 TYR OH : rot 13:sc= 0.628 USER MOD Single : A 53 ASN : amide:sc= -3.48 K(o=-3.5,f=-10!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 55:sc= 0.0819 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 139:sc= -3.91! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -4.07! C(o=-4.1!,f=-18!) USER MOD Single : A 66 THR OG1 : rot -150:sc= 0.219 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 48:sc= 0.0428 USER MOD Single : A 91 LYS NZ :NH3+ -122:sc= -5.86! (180deg=-9.38!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.8 X(o=-1.8,f=-1.4) USER MOD Single : A 98 HIS : no HE2:sc= 0.232 K(o=0.23,f=-4.8!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -154:sc= -3.34! (180deg=-4.5!) USER MOD Single : A 115 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.3) USER MOD Single : A 116 SER OG : rot 180:sc= -0.0571 USER MOD Single : A 118 LYS NZ :NH3+ -163:sc= -0.0104 (180deg=-0.152) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 2.175 -12.832 -2.375 1.00 0.00 N ATOM 2 CA SER A 8 2.065 -11.384 -2.232 1.00 0.00 C ATOM 3 C SER A 8 0.771 -10.872 -2.857 1.00 0.00 C ATOM 4 O SER A 8 0.067 -11.614 -3.543 1.00 0.00 O ATOM 5 CB SER A 8 3.267 -10.695 -2.880 1.00 0.00 C ATOM 6 OG SER A 8 3.215 -9.292 -2.689 1.00 0.00 O ATOM 0 HA SER A 8 2.050 -11.148 -1.168 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.189 -11.089 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.287 -10.919 -3.946 1.00 0.00 H new ATOM 0 HG SER A 8 3.995 -8.875 -3.111 1.00 0.00 H new ATOM 12 N TRP A 9 0.461 -9.602 -2.617 1.00 0.00 N ATOM 13 CA TRP A 9 -0.753 -9.003 -3.159 1.00 0.00 C ATOM 14 C TRP A 9 -0.648 -7.482 -3.216 1.00 0.00 C ATOM 15 O TRP A 9 -0.727 -6.809 -2.188 1.00 0.00 O ATOM 16 CB TRP A 9 -1.963 -9.397 -2.309 1.00 0.00 C ATOM 17 CG TRP A 9 -2.403 -10.813 -2.514 1.00 0.00 C ATOM 18 CD1 TRP A 9 -3.205 -11.287 -3.511 1.00 0.00 C ATOM 19 CD2 TRP A 9 -2.067 -11.940 -1.696 1.00 0.00 C ATOM 20 NE1 TRP A 9 -3.390 -12.641 -3.364 1.00 0.00 N ATOM 21 CE2 TRP A 9 -2.701 -13.065 -2.257 1.00 0.00 C ATOM 22 CE3 TRP A 9 -1.293 -12.106 -0.546 1.00 0.00 C ATOM 23 CZ2 TRP A 9 -2.583 -14.338 -1.705 1.00 0.00 C ATOM 24 CZ3 TRP A 9 -1.176 -13.369 0.002 1.00 0.00 C ATOM 25 CH2 TRP A 9 -1.818 -14.471 -0.579 1.00 0.00 C ATOM 0 H TRP A 9 1.031 -8.971 -2.054 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.879 -9.378 -4.175 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -1.721 -9.249 -1.257 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -2.793 -8.730 -2.542 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.632 -10.686 -4.300 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -3.949 -13.234 -3.978 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -0.794 -11.262 -0.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.077 -15.189 -2.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -0.580 -13.509 0.892 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.706 -15.446 -0.128 1.00 0.00 H new ATOM 36 N THR A 10 -0.487 -6.943 -4.420 1.00 0.00 N ATOM 37 CA THR A 10 -0.393 -5.498 -4.598 1.00 0.00 C ATOM 38 C THR A 10 -1.740 -4.930 -5.021 1.00 0.00 C ATOM 39 O THR A 10 -2.522 -5.596 -5.699 1.00 0.00 O ATOM 40 CB THR A 10 0.671 -5.135 -5.637 1.00 0.00 C ATOM 41 OG1 THR A 10 1.224 -6.300 -6.225 1.00 0.00 O ATOM 42 CG2 THR A 10 1.810 -4.326 -5.058 1.00 0.00 C ATOM 0 H THR A 10 -0.419 -7.482 -5.283 1.00 0.00 H new ATOM 0 HA THR A 10 -0.102 -5.063 -3.642 1.00 0.00 H new ATOM 0 HB THR A 10 0.154 -4.531 -6.383 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.900 -6.043 -6.887 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.532 -4.100 -5.843 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.422 -3.396 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.299 -4.898 -4.270 1.00 0.00 H new ATOM 50 N TYR A 11 -2.004 -3.696 -4.617 1.00 0.00 N ATOM 51 CA TYR A 11 -3.258 -3.038 -4.954 1.00 0.00 C ATOM 52 C TYR A 11 -2.997 -1.708 -5.649 1.00 0.00 C ATOM 53 O TYR A 11 -2.689 -0.711 -4.998 1.00 0.00 O ATOM 54 CB TYR A 11 -4.102 -2.810 -3.697 1.00 0.00 C ATOM 55 CG TYR A 11 -3.706 -3.678 -2.523 1.00 0.00 C ATOM 56 CD1 TYR A 11 -3.691 -5.063 -2.630 1.00 0.00 C ATOM 57 CD2 TYR A 11 -3.344 -3.110 -1.310 1.00 0.00 C ATOM 58 CE1 TYR A 11 -3.328 -5.857 -1.558 1.00 0.00 C ATOM 59 CE2 TYR A 11 -2.979 -3.895 -0.235 1.00 0.00 C ATOM 60 CZ TYR A 11 -2.973 -5.267 -0.363 1.00 0.00 C ATOM 61 OH TYR A 11 -2.612 -6.053 0.707 1.00 0.00 O ATOM 0 H TYR A 11 -1.367 -3.130 -4.056 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.808 -3.689 -5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.023 -1.763 -3.404 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -5.149 -2.996 -3.936 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.967 -5.527 -3.565 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.348 -2.035 -1.205 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.322 -6.933 -1.656 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.699 -3.436 0.702 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.204 -6.882 0.381 1.00 0.00 H new ATOM 71 N THR A 12 -3.119 -1.697 -6.971 1.00 0.00 N ATOM 72 CA THR A 12 -2.894 -0.481 -7.739 1.00 0.00 C ATOM 73 C THR A 12 -3.969 0.555 -7.427 1.00 0.00 C ATOM 74 O THR A 12 -5.108 0.205 -7.117 1.00 0.00 O ATOM 75 CB THR A 12 -2.882 -0.789 -9.238 1.00 0.00 C ATOM 76 OG1 THR A 12 -3.887 -1.732 -9.566 1.00 0.00 O ATOM 77 CG2 THR A 12 -1.559 -1.339 -9.723 1.00 0.00 C ATOM 0 H THR A 12 -3.371 -2.512 -7.530 1.00 0.00 H new ATOM 0 HA THR A 12 -1.923 -0.074 -7.457 1.00 0.00 H new ATOM 0 HB THR A 12 -3.064 0.166 -9.731 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.661 -1.603 -8.979 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.617 -1.536 -10.793 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.770 -0.612 -9.530 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.335 -2.266 -9.195 1.00 0.00 H new ATOM 85 N ALA A 13 -3.604 1.830 -7.502 1.00 0.00 N ATOM 86 CA ALA A 13 -4.543 2.909 -7.218 1.00 0.00 C ATOM 87 C ALA A 13 -5.701 2.917 -8.209 1.00 0.00 C ATOM 88 O ALA A 13 -6.782 3.422 -7.909 1.00 0.00 O ATOM 89 CB ALA A 13 -3.828 4.251 -7.229 1.00 0.00 C ATOM 0 H ALA A 13 -2.667 2.141 -7.757 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.956 2.737 -6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.543 5.046 -7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.046 4.253 -6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.382 4.418 -8.210 1.00 0.00 H new ATOM 95 N ALA A 14 -5.473 2.354 -9.392 1.00 0.00 N ATOM 96 CA ALA A 14 -6.505 2.301 -10.421 1.00 0.00 C ATOM 97 C ALA A 14 -7.621 1.339 -10.029 1.00 0.00 C ATOM 98 O ALA A 14 -8.757 1.471 -10.485 1.00 0.00 O ATOM 99 CB ALA A 14 -5.898 1.896 -11.756 1.00 0.00 C ATOM 0 H ALA A 14 -4.585 1.929 -9.661 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.938 3.296 -10.520 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.679 1.860 -12.515 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.142 2.625 -12.048 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.437 0.912 -11.663 1.00 0.00 H new ATOM 105 N SER A 15 -7.293 0.374 -9.176 1.00 0.00 N ATOM 106 CA SER A 15 -8.270 -0.607 -8.718 1.00 0.00 C ATOM 107 C SER A 15 -8.660 -0.345 -7.266 1.00 0.00 C ATOM 108 O SER A 15 -9.002 -1.268 -6.528 1.00 0.00 O ATOM 109 CB SER A 15 -7.706 -2.022 -8.858 1.00 0.00 C ATOM 110 OG SER A 15 -6.620 -2.229 -7.972 1.00 0.00 O ATOM 0 H SER A 15 -6.358 0.250 -8.788 1.00 0.00 H new ATOM 0 HA SER A 15 -9.161 -0.515 -9.339 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.490 -2.751 -8.653 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.378 -2.186 -9.884 1.00 0.00 H new ATOM 0 HG SER A 15 -6.251 -1.363 -7.699 1.00 0.00 H new ATOM 116 N ALA A 16 -8.603 0.921 -6.863 1.00 0.00 N ATOM 117 CA ALA A 16 -8.948 1.306 -5.500 1.00 0.00 C ATOM 118 C ALA A 16 -10.035 2.378 -5.492 1.00 0.00 C ATOM 119 O ALA A 16 -10.693 2.615 -6.504 1.00 0.00 O ATOM 120 CB ALA A 16 -7.708 1.797 -4.764 1.00 0.00 C ATOM 0 H ALA A 16 -8.321 1.697 -7.462 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.339 0.429 -4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.977 2.082 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.964 1.001 -4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.294 2.660 -5.285 1.00 0.00 H new ATOM 126 N SER A 17 -10.219 3.021 -4.343 1.00 0.00 N ATOM 127 CA SER A 17 -11.226 4.065 -4.205 1.00 0.00 C ATOM 128 C SER A 17 -10.575 5.427 -3.989 1.00 0.00 C ATOM 129 O SER A 17 -10.092 5.728 -2.897 1.00 0.00 O ATOM 130 CB SER A 17 -12.166 3.745 -3.043 1.00 0.00 C ATOM 131 OG SER A 17 -13.497 4.129 -3.340 1.00 0.00 O ATOM 0 H SER A 17 -9.683 2.837 -3.495 1.00 0.00 H new ATOM 0 HA SER A 17 -11.802 4.102 -5.130 1.00 0.00 H new ATOM 0 HB2 SER A 17 -12.132 2.677 -2.828 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.827 4.262 -2.145 1.00 0.00 H new ATOM 0 HG SER A 17 -14.077 3.912 -2.581 1.00 0.00 H new ATOM 137 N ILE A 18 -10.568 6.247 -5.035 1.00 0.00 N ATOM 138 CA ILE A 18 -9.979 7.578 -4.958 1.00 0.00 C ATOM 139 C ILE A 18 -10.934 8.560 -4.285 1.00 0.00 C ATOM 140 O ILE A 18 -11.846 9.091 -4.918 1.00 0.00 O ATOM 141 CB ILE A 18 -9.595 8.105 -6.362 1.00 0.00 C ATOM 142 CG1 ILE A 18 -8.617 7.145 -7.055 1.00 0.00 C ATOM 143 CG2 ILE A 18 -8.994 9.500 -6.267 1.00 0.00 C ATOM 144 CD1 ILE A 18 -7.508 6.640 -6.154 1.00 0.00 C ATOM 0 H ILE A 18 -10.964 6.013 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.073 7.496 -4.357 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.503 8.162 -6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.174 6.292 -7.442 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.173 7.651 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.731 9.852 -7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.721 10.180 -5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.099 9.469 -5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.860 5.968 -6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.924 7.484 -5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.941 6.104 -5.309 1.00 0.00 H new ATOM 156 N THR A 19 -10.718 8.789 -2.992 1.00 0.00 N ATOM 157 CA THR A 19 -11.557 9.700 -2.220 1.00 0.00 C ATOM 158 C THR A 19 -11.100 11.146 -2.387 1.00 0.00 C ATOM 159 O THR A 19 -9.994 11.506 -1.984 1.00 0.00 O ATOM 160 CB THR A 19 -11.529 9.316 -0.740 1.00 0.00 C ATOM 161 OG1 THR A 19 -11.925 7.967 -0.564 1.00 0.00 O ATOM 162 CG2 THR A 19 -12.433 10.174 0.119 1.00 0.00 C ATOM 0 H THR A 19 -9.967 8.355 -2.456 1.00 0.00 H new ATOM 0 HA THR A 19 -12.577 9.617 -2.596 1.00 0.00 H new ATOM 0 HB THR A 19 -10.498 9.471 -0.422 1.00 0.00 H new ATOM 0 HG1 THR A 19 -11.899 7.740 0.389 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.365 9.848 1.157 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.123 11.216 0.045 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.462 10.076 -0.226 1.00 0.00 H new ATOM 170 N ALA A 20 -11.960 11.975 -2.975 1.00 0.00 N ATOM 171 CA ALA A 20 -11.641 13.385 -3.185 1.00 0.00 C ATOM 172 C ALA A 20 -11.174 14.035 -1.881 1.00 0.00 C ATOM 173 O ALA A 20 -11.530 13.574 -0.796 1.00 0.00 O ATOM 174 CB ALA A 20 -12.851 14.121 -3.741 1.00 0.00 C ATOM 0 H ALA A 20 -12.881 11.696 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.828 13.450 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.600 15.171 -3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.142 13.676 -4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.679 14.044 -3.036 1.00 0.00 H new ATOM 180 N PRO A 21 -10.360 15.110 -1.954 1.00 0.00 N ATOM 181 CA PRO A 21 -9.895 15.711 -3.218 1.00 0.00 C ATOM 182 C PRO A 21 -8.960 14.804 -4.015 1.00 0.00 C ATOM 183 O PRO A 21 -8.471 15.193 -5.075 1.00 0.00 O ATOM 184 CB PRO A 21 -9.137 16.959 -2.757 1.00 0.00 C ATOM 185 CG PRO A 21 -8.705 16.635 -1.371 1.00 0.00 C ATOM 186 CD PRO A 21 -9.832 15.836 -0.786 1.00 0.00 C ATOM 0 HA PRO A 21 -10.731 15.908 -3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.283 17.167 -3.402 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.775 17.843 -2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.776 16.065 -1.371 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.523 17.541 -0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.484 15.154 -0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.588 16.476 -0.332 1.00 0.00 H new ATOM 194 N ALA A 22 -8.714 13.599 -3.512 1.00 0.00 N ATOM 195 CA ALA A 22 -7.842 12.664 -4.200 1.00 0.00 C ATOM 196 C ALA A 22 -8.375 12.352 -5.590 1.00 0.00 C ATOM 197 O ALA A 22 -9.583 12.229 -5.795 1.00 0.00 O ATOM 198 CB ALA A 22 -7.681 11.384 -3.397 1.00 0.00 C ATOM 0 H ALA A 22 -9.105 13.252 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.863 13.132 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.024 10.699 -3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.248 11.617 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.656 10.917 -3.258 1.00 0.00 H new ATOM 204 N GLN A 23 -7.460 12.229 -6.538 1.00 0.00 N ATOM 205 CA GLN A 23 -7.817 11.934 -7.919 1.00 0.00 C ATOM 206 C GLN A 23 -6.806 10.977 -8.540 1.00 0.00 C ATOM 207 O GLN A 23 -5.612 11.040 -8.244 1.00 0.00 O ATOM 208 CB GLN A 23 -7.887 13.223 -8.738 1.00 0.00 C ATOM 209 CG GLN A 23 -8.581 13.057 -10.080 1.00 0.00 C ATOM 210 CD GLN A 23 -8.391 14.257 -10.987 1.00 0.00 C ATOM 211 OE1 GLN A 23 -8.129 14.113 -12.180 1.00 0.00 O ATOM 212 NE2 GLN A 23 -8.522 15.452 -10.422 1.00 0.00 N ATOM 0 H GLN A 23 -6.458 12.329 -6.376 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.798 11.459 -7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.412 13.983 -8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.875 13.592 -8.905 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.196 12.166 -10.576 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.646 12.895 -9.916 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.740 15.525 -9.428 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.405 16.296 -10.982 1.00 0.00 H new ATOM 221 N LEU A 24 -7.290 10.091 -9.401 1.00 0.00 N ATOM 222 CA LEU A 24 -6.430 9.119 -10.061 1.00 0.00 C ATOM 223 C LEU A 24 -5.697 9.756 -11.239 1.00 0.00 C ATOM 224 O LEU A 24 -6.197 9.772 -12.363 1.00 0.00 O ATOM 225 CB LEU A 24 -7.263 7.918 -10.530 1.00 0.00 C ATOM 226 CG LEU A 24 -6.672 6.534 -10.231 1.00 0.00 C ATOM 227 CD1 LEU A 24 -5.648 6.155 -11.287 1.00 0.00 C ATOM 228 CD2 LEU A 24 -6.051 6.482 -8.844 1.00 0.00 C ATOM 0 H LEU A 24 -8.275 10.026 -9.658 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.683 8.773 -9.347 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.247 7.979 -10.065 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.413 8.003 -11.606 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.487 5.811 -10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.239 5.171 -11.060 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.126 6.132 -12.266 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.843 6.890 -11.294 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.642 5.487 -8.665 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.252 7.220 -8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.813 6.701 -8.096 1.00 0.00 H new ATOM 240 N VAL A 25 -4.507 10.284 -10.965 1.00 0.00 N ATOM 241 CA VAL A 25 -3.695 10.931 -11.992 1.00 0.00 C ATOM 242 C VAL A 25 -2.752 9.938 -12.679 1.00 0.00 C ATOM 243 O VAL A 25 -1.783 9.467 -12.084 1.00 0.00 O ATOM 244 CB VAL A 25 -2.877 12.118 -11.417 1.00 0.00 C ATOM 245 CG1 VAL A 25 -3.769 13.039 -10.600 1.00 0.00 C ATOM 246 CG2 VAL A 25 -1.701 11.638 -10.571 1.00 0.00 C ATOM 0 H VAL A 25 -4.083 10.276 -10.038 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.392 11.319 -12.735 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.474 12.674 -12.264 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.176 13.864 -10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.563 13.433 -11.234 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.208 12.481 -9.773 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.154 12.499 -10.187 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.072 11.042 -9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.036 11.030 -11.184 1.00 0.00 H new ATOM 256 N GLY A 26 -3.044 9.625 -13.939 1.00 0.00 N ATOM 257 CA GLY A 26 -2.213 8.699 -14.691 1.00 0.00 C ATOM 258 C GLY A 26 -2.172 7.317 -14.073 1.00 0.00 C ATOM 259 O GLY A 26 -1.098 6.793 -13.777 1.00 0.00 O ATOM 0 H GLY A 26 -3.842 9.997 -14.454 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.590 8.625 -15.711 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.199 9.095 -14.753 1.00 0.00 H new ATOM 263 N ASN A 27 -3.343 6.727 -13.877 1.00 0.00 N ATOM 264 CA ASN A 27 -3.443 5.398 -13.288 1.00 0.00 C ATOM 265 C ASN A 27 -2.804 5.359 -11.902 1.00 0.00 C ATOM 266 O ASN A 27 -2.445 4.293 -11.402 1.00 0.00 O ATOM 267 CB ASN A 27 -2.781 4.359 -14.195 1.00 0.00 C ATOM 268 CG ASN A 27 -3.731 3.824 -15.249 1.00 0.00 C ATOM 269 OD1 ASN A 27 -4.239 4.574 -16.081 1.00 0.00 O ATOM 270 ND2 ASN A 27 -3.974 2.518 -15.217 1.00 0.00 N ATOM 0 H ASN A 27 -4.240 7.149 -14.118 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.502 5.159 -13.185 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.915 4.806 -14.683 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.413 3.532 -13.588 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.604 2.100 -15.901 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.530 1.934 -14.508 1.00 0.00 H new ATOM 277 N VAL A 28 -2.668 6.530 -11.284 1.00 0.00 N ATOM 278 CA VAL A 28 -2.077 6.634 -9.954 1.00 0.00 C ATOM 279 C VAL A 28 -2.917 7.554 -9.074 1.00 0.00 C ATOM 280 O VAL A 28 -3.478 8.532 -9.555 1.00 0.00 O ATOM 281 CB VAL A 28 -0.632 7.172 -10.016 1.00 0.00 C ATOM 282 CG1 VAL A 28 0.094 6.895 -8.711 1.00 0.00 C ATOM 283 CG2 VAL A 28 0.121 6.564 -11.191 1.00 0.00 C ATOM 0 H VAL A 28 -2.960 7.421 -11.685 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.055 5.631 -9.527 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.674 8.251 -10.164 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.112 7.281 -8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.431 7.385 -7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.124 5.820 -8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.137 6.958 -11.215 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.154 5.480 -11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.389 6.818 -12.120 1.00 0.00 H new ATOM 293 N GLY A 29 -3.010 7.239 -7.786 1.00 0.00 N ATOM 294 CA GLY A 29 -3.797 8.059 -6.887 1.00 0.00 C ATOM 295 C GLY A 29 -3.060 9.314 -6.484 1.00 0.00 C ATOM 296 O GLY A 29 -1.850 9.288 -6.301 1.00 0.00 O ATOM 0 H GLY A 29 -2.557 6.435 -7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.737 8.328 -7.369 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.049 7.483 -5.996 1.00 0.00 H new ATOM 300 N GLU A 30 -3.779 10.417 -6.347 1.00 0.00 N ATOM 301 CA GLU A 30 -3.144 11.666 -5.964 1.00 0.00 C ATOM 302 C GLU A 30 -4.038 12.494 -5.060 1.00 0.00 C ATOM 303 O GLU A 30 -5.062 13.022 -5.488 1.00 0.00 O ATOM 304 CB GLU A 30 -2.743 12.467 -7.200 1.00 0.00 C ATOM 305 CG GLU A 30 -1.252 12.418 -7.473 1.00 0.00 C ATOM 306 CD GLU A 30 -0.705 13.736 -7.988 1.00 0.00 C ATOM 307 OE1 GLU A 30 -1.384 14.375 -8.819 1.00 0.00 O ATOM 308 OE2 GLU A 30 0.399 14.130 -7.557 1.00 0.00 O ATOM 0 H GLU A 30 -4.787 10.473 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.244 11.418 -5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.279 12.082 -8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.050 13.505 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.728 12.146 -6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.046 11.635 -8.202 1.00 0.00 H new ATOM 315 N LEU A 31 -3.630 12.604 -3.803 1.00 0.00 N ATOM 316 CA LEU A 31 -4.378 13.369 -2.821 1.00 0.00 C ATOM 317 C LEU A 31 -3.937 14.823 -2.828 1.00 0.00 C ATOM 318 O LEU A 31 -2.934 15.172 -3.454 1.00 0.00 O ATOM 319 CB LEU A 31 -4.186 12.792 -1.417 1.00 0.00 C ATOM 320 CG LEU A 31 -3.893 11.287 -1.354 1.00 0.00 C ATOM 321 CD1 LEU A 31 -2.621 11.014 -0.561 1.00 0.00 C ATOM 322 CD2 LEU A 31 -5.070 10.540 -0.749 1.00 0.00 C ATOM 0 H LEU A 31 -2.781 12.170 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.433 13.309 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.367 13.324 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.085 12.994 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.742 10.927 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.435 9.940 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.779 11.515 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.738 11.391 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.844 9.474 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.254 10.907 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.957 10.702 -1.361 1.00 0.00 H new ATOM 334 N GLN A 32 -4.687 15.653 -2.115 1.00 0.00 N ATOM 335 CA GLN A 32 -4.391 17.075 -2.005 1.00 0.00 C ATOM 336 C GLN A 32 -5.084 17.651 -0.780 1.00 0.00 C ATOM 337 O GLN A 32 -6.312 17.699 -0.712 1.00 0.00 O ATOM 338 CB GLN A 32 -4.840 17.821 -3.259 1.00 0.00 C ATOM 339 CG GLN A 32 -4.549 19.313 -3.218 1.00 0.00 C ATOM 340 CD GLN A 32 -5.771 20.156 -3.529 1.00 0.00 C ATOM 341 OE1 GLN A 32 -6.690 19.706 -4.214 1.00 0.00 O ATOM 342 NE2 GLN A 32 -5.787 21.385 -3.027 1.00 0.00 N ATOM 0 H GLN A 32 -5.516 15.360 -1.598 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.313 17.198 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.344 17.387 -4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.911 17.672 -3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.171 19.578 -2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.761 19.545 -3.934 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.003 21.716 -2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.583 21.998 -3.204 1.00 0.00 H new ATOM 351 N GLY A 33 -4.292 18.071 0.193 1.00 0.00 N ATOM 352 CA GLY A 33 -4.853 18.619 1.413 1.00 0.00 C ATOM 353 C GLY A 33 -5.650 17.581 2.178 1.00 0.00 C ATOM 354 O GLY A 33 -5.925 16.499 1.659 1.00 0.00 O ATOM 0 H GLY A 33 -3.273 18.043 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.050 18.999 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.496 19.465 1.170 1.00 0.00 H new ATOM 358 N ALA A 34 -6.021 17.901 3.412 1.00 0.00 N ATOM 359 CA ALA A 34 -6.788 16.975 4.237 1.00 0.00 C ATOM 360 C ALA A 34 -8.148 16.673 3.614 1.00 0.00 C ATOM 361 O ALA A 34 -8.727 17.515 2.928 1.00 0.00 O ATOM 362 CB ALA A 34 -6.964 17.535 5.640 1.00 0.00 C ATOM 0 H ALA A 34 -5.805 18.790 3.862 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.230 16.041 4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.539 16.832 6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.986 17.689 6.096 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.494 18.486 5.588 1.00 0.00 H new ATOM 368 N GLY A 35 -8.654 15.468 3.863 1.00 0.00 N ATOM 369 CA GLY A 35 -9.946 15.080 3.324 1.00 0.00 C ATOM 370 C GLY A 35 -9.844 14.091 2.176 1.00 0.00 C ATOM 371 O GLY A 35 -10.845 13.491 1.780 1.00 0.00 O ATOM 0 H GLY A 35 -8.193 14.754 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.547 14.641 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.472 15.971 2.981 1.00 0.00 H new ATOM 375 N SER A 36 -8.641 13.917 1.634 1.00 0.00 N ATOM 376 CA SER A 36 -8.434 12.992 0.524 1.00 0.00 C ATOM 377 C SER A 36 -7.873 11.666 1.024 1.00 0.00 C ATOM 378 O SER A 36 -7.274 11.605 2.096 1.00 0.00 O ATOM 379 CB SER A 36 -7.487 13.605 -0.507 1.00 0.00 C ATOM 380 OG SER A 36 -6.563 14.487 0.106 1.00 0.00 O ATOM 0 H SER A 36 -7.799 14.402 1.944 1.00 0.00 H new ATOM 0 HA SER A 36 -9.398 12.804 0.052 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.948 12.812 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.063 14.143 -1.259 1.00 0.00 H new ATOM 0 HG SER A 36 -7.037 15.276 0.442 1.00 0.00 H new ATOM 386 N ALA A 37 -8.076 10.601 0.250 1.00 0.00 N ATOM 387 CA ALA A 37 -7.587 9.289 0.647 1.00 0.00 C ATOM 388 C ALA A 37 -7.706 8.255 -0.469 1.00 0.00 C ATOM 389 O ALA A 37 -8.677 8.246 -1.227 1.00 0.00 O ATOM 390 CB ALA A 37 -8.347 8.809 1.872 1.00 0.00 C ATOM 0 H ALA A 37 -8.569 10.623 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.527 9.396 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.979 7.826 2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.199 9.513 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.410 8.743 1.638 1.00 0.00 H new ATOM 396 N VAL A 38 -6.723 7.361 -0.530 1.00 0.00 N ATOM 397 CA VAL A 38 -6.713 6.282 -1.513 1.00 0.00 C ATOM 398 C VAL A 38 -6.868 4.950 -0.790 1.00 0.00 C ATOM 399 O VAL A 38 -5.881 4.337 -0.388 1.00 0.00 O ATOM 400 CB VAL A 38 -5.405 6.247 -2.338 1.00 0.00 C ATOM 401 CG1 VAL A 38 -5.580 6.959 -3.665 1.00 0.00 C ATOM 402 CG2 VAL A 38 -4.247 6.852 -1.565 1.00 0.00 C ATOM 0 H VAL A 38 -5.917 7.363 0.095 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.539 6.459 -2.202 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.172 5.200 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.646 6.920 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.368 6.471 -4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.852 7.999 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.343 6.812 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.475 7.890 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.090 6.289 -0.645 1.00 0.00 H new ATOM 412 N ILE A 39 -8.110 4.519 -0.601 1.00 0.00 N ATOM 413 CA ILE A 39 -8.383 3.275 0.108 1.00 0.00 C ATOM 414 C ILE A 39 -8.434 2.073 -0.831 1.00 0.00 C ATOM 415 O ILE A 39 -8.665 2.212 -2.032 1.00 0.00 O ATOM 416 CB ILE A 39 -9.702 3.369 0.898 1.00 0.00 C ATOM 417 CG1 ILE A 39 -9.648 4.564 1.848 1.00 0.00 C ATOM 418 CG2 ILE A 39 -9.967 2.081 1.665 1.00 0.00 C ATOM 419 CD1 ILE A 39 -8.656 4.397 2.982 1.00 0.00 C ATOM 0 H ILE A 39 -8.941 5.011 -0.928 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.556 3.126 0.802 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.524 3.512 0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.389 5.457 1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.641 4.729 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.904 2.171 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.036 1.248 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.151 1.900 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.674 5.285 3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.925 3.523 3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.655 4.263 2.573 1.00 0.00 H new ATOM 431 N TRP A 40 -8.216 0.891 -0.260 1.00 0.00 N ATOM 432 CA TRP A 40 -8.232 -0.354 -1.020 1.00 0.00 C ATOM 433 C TRP A 40 -9.063 -1.411 -0.303 1.00 0.00 C ATOM 434 O TRP A 40 -9.121 -1.439 0.928 1.00 0.00 O ATOM 435 CB TRP A 40 -6.811 -0.884 -1.196 1.00 0.00 C ATOM 436 CG TRP A 40 -6.107 -0.384 -2.419 1.00 0.00 C ATOM 437 CD1 TRP A 40 -6.290 -0.803 -3.706 1.00 0.00 C ATOM 438 CD2 TRP A 40 -5.089 0.616 -2.461 1.00 0.00 C ATOM 439 NE1 TRP A 40 -5.437 -0.126 -4.545 1.00 0.00 N ATOM 440 CE2 TRP A 40 -4.690 0.753 -3.803 1.00 0.00 C ATOM 441 CE3 TRP A 40 -4.475 1.409 -1.491 1.00 0.00 C ATOM 442 CZ2 TRP A 40 -3.699 1.649 -4.195 1.00 0.00 C ATOM 443 CZ3 TRP A 40 -3.495 2.296 -1.883 1.00 0.00 C ATOM 444 CH2 TRP A 40 -3.114 2.410 -3.221 1.00 0.00 C ATOM 0 H TRP A 40 -8.025 0.770 0.735 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.673 -0.146 -1.995 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.224 -0.612 -0.318 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.845 -1.973 -1.232 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.000 -1.555 -4.018 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.370 -0.256 -5.554 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.762 1.330 -0.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.403 1.740 -5.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -3.013 2.915 -1.141 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.341 3.114 -3.493 1.00 0.00 H new ATOM 455 N ASN A 41 -9.684 -2.293 -1.078 1.00 0.00 N ATOM 456 CA ASN A 41 -10.492 -3.368 -0.515 1.00 0.00 C ATOM 457 C ASN A 41 -9.763 -4.701 -0.655 1.00 0.00 C ATOM 458 O ASN A 41 -9.582 -5.203 -1.765 1.00 0.00 O ATOM 459 CB ASN A 41 -11.852 -3.439 -1.213 1.00 0.00 C ATOM 460 CG ASN A 41 -12.494 -2.075 -1.375 1.00 0.00 C ATOM 461 OD1 ASN A 41 -13.076 -1.771 -2.416 1.00 0.00 O ATOM 462 ND2 ASN A 41 -12.392 -1.245 -0.344 1.00 0.00 N ATOM 0 H ASN A 41 -9.643 -2.285 -2.097 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.654 -3.161 0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.730 -3.898 -2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.518 -4.084 -0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.805 -0.314 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.900 -1.538 0.500 1.00 0.00 H new ATOM 469 N VAL A 42 -9.339 -5.266 0.471 1.00 0.00 N ATOM 470 CA VAL A 42 -8.622 -6.537 0.459 1.00 0.00 C ATOM 471 C VAL A 42 -8.852 -7.321 1.747 1.00 0.00 C ATOM 472 O VAL A 42 -9.571 -6.875 2.640 1.00 0.00 O ATOM 473 CB VAL A 42 -7.109 -6.323 0.268 1.00 0.00 C ATOM 474 CG1 VAL A 42 -6.824 -5.704 -1.092 1.00 0.00 C ATOM 475 CG2 VAL A 42 -6.546 -5.455 1.384 1.00 0.00 C ATOM 0 H VAL A 42 -9.478 -4.867 1.399 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.015 -7.109 -0.382 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.616 -7.294 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.750 -5.560 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.189 -6.367 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.329 -4.741 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.476 -5.315 1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.043 -4.485 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.715 -5.942 2.344 1.00 0.00 H new ATOM 485 N ASP A 43 -8.234 -8.497 1.830 1.00 0.00 N ATOM 486 CA ASP A 43 -8.365 -9.354 3.004 1.00 0.00 C ATOM 487 C ASP A 43 -7.140 -10.251 3.157 1.00 0.00 C ATOM 488 O ASP A 43 -6.915 -11.150 2.345 1.00 0.00 O ATOM 489 CB ASP A 43 -9.626 -10.214 2.895 1.00 0.00 C ATOM 490 CG ASP A 43 -10.845 -9.412 2.479 1.00 0.00 C ATOM 491 OD1 ASP A 43 -10.933 -9.040 1.291 1.00 0.00 O ATOM 492 OD2 ASP A 43 -11.710 -9.158 3.343 1.00 0.00 O ATOM 0 H ASP A 43 -7.637 -8.878 1.096 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.443 -8.716 3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.456 -11.011 2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.820 -10.691 3.856 1.00 0.00 H new ATOM 497 N VAL A 44 -6.352 -10.008 4.201 1.00 0.00 N ATOM 498 CA VAL A 44 -5.152 -10.803 4.453 1.00 0.00 C ATOM 499 C VAL A 44 -5.489 -12.292 4.522 1.00 0.00 C ATOM 500 O VAL A 44 -6.547 -12.674 5.023 1.00 0.00 O ATOM 501 CB VAL A 44 -4.451 -10.382 5.759 1.00 0.00 C ATOM 502 CG1 VAL A 44 -3.607 -9.135 5.537 1.00 0.00 C ATOM 503 CG2 VAL A 44 -5.469 -10.154 6.868 1.00 0.00 C ATOM 0 H VAL A 44 -6.521 -9.270 4.884 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.473 -10.621 3.620 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.789 -11.191 6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.120 -8.854 6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.850 -9.338 4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.246 -8.318 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.952 -9.858 7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.161 -9.366 6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.024 -11.075 7.048 1.00 0.00 H new ATOM 513 N PRO A 45 -4.597 -13.157 4.006 1.00 0.00 N ATOM 514 CA PRO A 45 -4.816 -14.606 4.004 1.00 0.00 C ATOM 515 C PRO A 45 -4.652 -15.236 5.384 1.00 0.00 C ATOM 516 O PRO A 45 -5.534 -15.958 5.849 1.00 0.00 O ATOM 517 CB PRO A 45 -3.741 -15.124 3.047 1.00 0.00 C ATOM 518 CG PRO A 45 -2.649 -14.113 3.113 1.00 0.00 C ATOM 519 CD PRO A 45 -3.313 -12.787 3.377 1.00 0.00 C ATOM 0 HA PRO A 45 -5.834 -14.858 3.707 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.386 -16.109 3.348 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.129 -15.221 2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.941 -14.357 3.905 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.087 -14.087 2.180 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.710 -12.161 4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.466 -12.225 2.455 1.00 0.00 H new ATOM 527 N VAL A 46 -3.520 -14.974 6.031 1.00 0.00 N ATOM 528 CA VAL A 46 -3.253 -15.533 7.346 1.00 0.00 C ATOM 529 C VAL A 46 -3.160 -14.452 8.412 1.00 0.00 C ATOM 530 O VAL A 46 -2.916 -13.282 8.115 1.00 0.00 O ATOM 531 CB VAL A 46 -1.937 -16.328 7.361 1.00 0.00 C ATOM 532 CG1 VAL A 46 -1.792 -17.073 8.679 1.00 0.00 C ATOM 533 CG2 VAL A 46 -1.866 -17.283 6.178 1.00 0.00 C ATOM 0 H VAL A 46 -2.777 -14.379 5.665 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.091 -16.194 7.568 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.106 -15.629 7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.857 -17.633 8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.788 -16.359 9.502 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.628 -17.762 8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.926 -17.834 6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.699 -17.984 6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.922 -16.716 5.249 1.00 0.00 H new ATOM 543 N THR A 47 -3.333 -14.867 9.660 1.00 0.00 N ATOM 544 CA THR A 47 -3.250 -13.964 10.792 1.00 0.00 C ATOM 545 C THR A 47 -1.796 -13.847 11.254 1.00 0.00 C ATOM 546 O THR A 47 -1.344 -14.599 12.119 1.00 0.00 O ATOM 547 CB THR A 47 -4.146 -14.477 11.929 1.00 0.00 C ATOM 548 OG1 THR A 47 -5.461 -13.970 11.799 1.00 0.00 O ATOM 549 CG2 THR A 47 -3.654 -14.114 13.312 1.00 0.00 C ATOM 0 H THR A 47 -3.534 -15.835 9.912 1.00 0.00 H new ATOM 0 HA THR A 47 -3.598 -12.974 10.498 1.00 0.00 H new ATOM 0 HB THR A 47 -4.122 -15.563 11.833 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.016 -14.310 12.532 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.341 -14.512 14.059 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.662 -14.538 13.468 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.604 -13.029 13.407 1.00 0.00 H new ATOM 557 N GLY A 48 -1.062 -12.910 10.665 1.00 0.00 N ATOM 558 CA GLY A 48 0.332 -12.729 11.029 1.00 0.00 C ATOM 559 C GLY A 48 0.818 -11.315 10.787 1.00 0.00 C ATOM 560 O GLY A 48 0.120 -10.350 11.093 1.00 0.00 O ATOM 0 H GLY A 48 -1.405 -12.274 9.945 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.464 -12.980 12.081 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.946 -13.424 10.456 1.00 0.00 H new ATOM 564 N GLU A 49 2.021 -11.192 10.236 1.00 0.00 N ATOM 565 CA GLU A 49 2.601 -9.886 9.953 1.00 0.00 C ATOM 566 C GLU A 49 3.090 -9.816 8.511 1.00 0.00 C ATOM 567 O GLU A 49 3.684 -10.763 7.995 1.00 0.00 O ATOM 568 CB GLU A 49 3.745 -9.589 10.930 1.00 0.00 C ATOM 569 CG GLU A 49 4.588 -8.373 10.570 1.00 0.00 C ATOM 570 CD GLU A 49 6.066 -8.598 10.818 1.00 0.00 C ATOM 571 OE1 GLU A 49 6.405 -9.516 11.595 1.00 0.00 O ATOM 572 OE2 GLU A 49 6.886 -7.856 10.236 1.00 0.00 O ATOM 0 H GLU A 49 2.613 -11.981 9.977 1.00 0.00 H new ATOM 0 HA GLU A 49 1.829 -9.128 10.085 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.326 -9.442 11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.395 -10.462 10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.433 -8.125 9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.251 -7.516 11.153 1.00 0.00 H new ATOM 579 N TYR A 50 2.818 -8.690 7.864 1.00 0.00 N ATOM 580 CA TYR A 50 3.210 -8.485 6.478 1.00 0.00 C ATOM 581 C TYR A 50 4.044 -7.217 6.334 1.00 0.00 C ATOM 582 O TYR A 50 3.995 -6.330 7.185 1.00 0.00 O ATOM 583 CB TYR A 50 1.965 -8.387 5.595 1.00 0.00 C ATOM 584 CG TYR A 50 1.074 -9.613 5.642 1.00 0.00 C ATOM 585 CD1 TYR A 50 0.543 -10.073 6.842 1.00 0.00 C ATOM 586 CD2 TYR A 50 0.762 -10.309 4.480 1.00 0.00 C ATOM 587 CE1 TYR A 50 -0.270 -11.189 6.883 1.00 0.00 C ATOM 588 CE2 TYR A 50 -0.052 -11.427 4.515 1.00 0.00 C ATOM 589 CZ TYR A 50 -0.564 -11.862 5.717 1.00 0.00 C ATOM 590 OH TYR A 50 -1.374 -12.975 5.755 1.00 0.00 O ATOM 0 H TYR A 50 2.324 -7.901 8.281 1.00 0.00 H new ATOM 0 HA TYR A 50 3.814 -9.335 6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.384 -7.517 5.900 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.276 -8.217 4.564 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.770 -9.548 7.758 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.161 -9.972 3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.673 -11.532 7.824 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.285 -11.957 3.603 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.814 -13.029 6.629 1.00 0.00 H new ATOM 600 N ARG A 51 4.803 -7.136 5.247 1.00 0.00 N ATOM 601 CA ARG A 51 5.639 -5.970 4.988 1.00 0.00 C ATOM 602 C ARG A 51 4.957 -5.042 3.990 1.00 0.00 C ATOM 603 O ARG A 51 4.821 -5.374 2.812 1.00 0.00 O ATOM 604 CB ARG A 51 7.005 -6.404 4.455 1.00 0.00 C ATOM 605 CG ARG A 51 6.923 -7.369 3.283 1.00 0.00 C ATOM 606 CD ARG A 51 7.755 -6.893 2.102 1.00 0.00 C ATOM 607 NE ARG A 51 9.071 -6.412 2.515 1.00 0.00 N ATOM 608 CZ ARG A 51 10.049 -7.205 2.949 1.00 0.00 C ATOM 609 NH1 ARG A 51 9.864 -8.517 3.022 1.00 0.00 N ATOM 610 NH2 ARG A 51 11.214 -6.685 3.310 1.00 0.00 N ATOM 0 H ARG A 51 4.857 -7.862 4.533 1.00 0.00 H new ATOM 0 HA ARG A 51 5.784 -5.432 5.925 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.564 -5.520 4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.568 -6.873 5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.268 -8.354 3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.883 -7.479 2.975 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.875 -7.710 1.391 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.224 -6.095 1.583 1.00 0.00 H new ATOM 0 HE ARG A 51 9.252 -5.409 2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.970 -8.922 2.745 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.616 -9.120 3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.361 -5.677 3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.963 -7.293 3.642 1.00 0.00 H new ATOM 624 N ILE A 52 4.519 -3.881 4.467 1.00 0.00 N ATOM 625 CA ILE A 52 3.840 -2.916 3.609 1.00 0.00 C ATOM 626 C ILE A 52 4.835 -2.042 2.857 1.00 0.00 C ATOM 627 O ILE A 52 5.619 -1.311 3.462 1.00 0.00 O ATOM 628 CB ILE A 52 2.885 -1.995 4.400 1.00 0.00 C ATOM 629 CG1 ILE A 52 2.389 -2.674 5.679 1.00 0.00 C ATOM 630 CG2 ILE A 52 1.706 -1.592 3.528 1.00 0.00 C ATOM 631 CD1 ILE A 52 1.754 -4.027 5.443 1.00 0.00 C ATOM 0 H ILE A 52 4.621 -3.586 5.438 1.00 0.00 H new ATOM 0 HA ILE A 52 3.257 -3.508 2.903 1.00 0.00 H new ATOM 0 HB ILE A 52 3.439 -1.102 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.227 -2.791 6.366 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.664 -2.023 6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.039 -0.943 4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.069 -1.060 2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.164 -2.484 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.427 -4.446 6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.895 -3.915 4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.482 -4.695 4.983 1.00 0.00 H new ATOM 643 N ASN A 53 4.782 -2.110 1.533 1.00 0.00 N ATOM 644 CA ASN A 53 5.663 -1.312 0.693 1.00 0.00 C ATOM 645 C ASN A 53 4.859 -0.229 -0.016 1.00 0.00 C ATOM 646 O ASN A 53 3.882 -0.524 -0.703 1.00 0.00 O ATOM 647 CB ASN A 53 6.377 -2.195 -0.335 1.00 0.00 C ATOM 648 CG ASN A 53 6.848 -3.510 0.255 1.00 0.00 C ATOM 649 OD1 ASN A 53 6.066 -4.255 0.846 1.00 0.00 O ATOM 650 ND2 ASN A 53 8.135 -3.803 0.097 1.00 0.00 N ATOM 0 H ASN A 53 4.138 -2.710 1.018 1.00 0.00 H new ATOM 0 HA ASN A 53 6.417 -0.844 1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.703 -2.395 -1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.233 -1.655 -0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.510 -4.674 0.473 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.748 -3.157 -0.400 1.00 0.00 H new ATOM 657 N LEU A 54 5.262 1.027 0.155 1.00 0.00 N ATOM 658 CA LEU A 54 4.552 2.133 -0.475 1.00 0.00 C ATOM 659 C LEU A 54 5.259 2.582 -1.734 1.00 0.00 C ATOM 660 O LEU A 54 6.445 2.905 -1.717 1.00 0.00 O ATOM 661 CB LEU A 54 4.396 3.318 0.494 1.00 0.00 C ATOM 662 CG LEU A 54 2.975 3.578 1.033 1.00 0.00 C ATOM 663 CD1 LEU A 54 2.450 4.928 0.586 1.00 0.00 C ATOM 664 CD2 LEU A 54 2.007 2.503 0.600 1.00 0.00 C ATOM 0 H LEU A 54 6.067 1.301 0.718 1.00 0.00 H new ATOM 0 HA LEU A 54 3.558 1.774 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.059 3.155 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.741 4.220 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 54 3.052 3.566 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.446 5.078 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.108 5.715 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.418 4.963 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.017 2.722 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.960 2.473 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.344 1.537 0.976 1.00 0.00 H new ATOM 676 N THR A 55 4.517 2.591 -2.830 1.00 0.00 N ATOM 677 CA THR A 55 5.076 2.992 -4.117 1.00 0.00 C ATOM 678 C THR A 55 4.391 4.244 -4.661 1.00 0.00 C ATOM 679 O THR A 55 3.164 4.339 -4.667 1.00 0.00 O ATOM 680 CB THR A 55 4.965 1.847 -5.122 1.00 0.00 C ATOM 681 OG1 THR A 55 5.291 0.611 -4.512 1.00 0.00 O ATOM 682 CG2 THR A 55 5.868 2.016 -6.325 1.00 0.00 C ATOM 0 H THR A 55 3.532 2.327 -2.858 1.00 0.00 H new ATOM 0 HA THR A 55 6.128 3.230 -3.963 1.00 0.00 H new ATOM 0 HB THR A 55 3.929 1.860 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.212 -0.110 -5.171 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.740 1.168 -6.998 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.609 2.937 -6.848 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.906 2.064 -5.997 1.00 0.00 H new ATOM 690 N TRP A 56 5.196 5.208 -5.114 1.00 0.00 N ATOM 691 CA TRP A 56 4.658 6.457 -5.655 1.00 0.00 C ATOM 692 C TRP A 56 5.525 7.004 -6.795 1.00 0.00 C ATOM 693 O TRP A 56 6.683 6.617 -6.953 1.00 0.00 O ATOM 694 CB TRP A 56 4.519 7.507 -4.547 1.00 0.00 C ATOM 695 CG TRP A 56 5.538 7.380 -3.455 1.00 0.00 C ATOM 696 CD1 TRP A 56 5.701 6.330 -2.596 1.00 0.00 C ATOM 697 CD2 TRP A 56 6.533 8.344 -3.102 1.00 0.00 C ATOM 698 NE1 TRP A 56 6.740 6.584 -1.733 1.00 0.00 N ATOM 699 CE2 TRP A 56 7.266 7.815 -2.024 1.00 0.00 C ATOM 700 CE3 TRP A 56 6.873 9.603 -3.595 1.00 0.00 C ATOM 701 CZ2 TRP A 56 8.321 8.506 -1.432 1.00 0.00 C ATOM 702 CZ3 TRP A 56 7.919 10.288 -3.009 1.00 0.00 C ATOM 703 CH2 TRP A 56 8.632 9.739 -1.936 1.00 0.00 C ATOM 0 H TRP A 56 6.214 5.148 -5.117 1.00 0.00 H new ATOM 0 HA TRP A 56 3.672 6.236 -6.063 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.598 8.500 -4.990 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.523 7.431 -4.111 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.101 5.432 -2.595 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.066 5.958 -0.996 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.328 10.035 -4.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.873 8.084 -0.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 8.192 11.263 -3.384 1.00 0.00 H new ATOM 0 HH2 TRP A 56 9.444 10.300 -1.498 1.00 0.00 H new ATOM 714 N SER A 57 4.940 7.903 -7.590 1.00 0.00 N ATOM 715 CA SER A 57 5.631 8.515 -8.732 1.00 0.00 C ATOM 716 C SER A 57 4.947 9.809 -9.158 1.00 0.00 C ATOM 717 O SER A 57 4.311 9.874 -10.211 1.00 0.00 O ATOM 718 CB SER A 57 5.680 7.536 -9.906 1.00 0.00 C ATOM 719 OG SER A 57 4.403 6.977 -10.159 1.00 0.00 O ATOM 0 H SER A 57 3.981 8.227 -7.464 1.00 0.00 H new ATOM 0 HA SER A 57 6.649 8.754 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.038 8.051 -10.798 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.392 6.740 -9.690 1.00 0.00 H new ATOM 0 HG SER A 57 3.752 7.697 -10.298 1.00 0.00 H new ATOM 725 N SER A 58 5.105 10.840 -8.340 1.00 0.00 N ATOM 726 CA SER A 58 4.536 12.151 -8.622 1.00 0.00 C ATOM 727 C SER A 58 5.651 13.136 -8.931 1.00 0.00 C ATOM 728 O SER A 58 6.188 13.764 -8.028 1.00 0.00 O ATOM 729 CB SER A 58 3.744 12.662 -7.424 1.00 0.00 C ATOM 730 OG SER A 58 2.349 12.602 -7.659 1.00 0.00 O ATOM 0 H SER A 58 5.629 10.792 -7.466 1.00 0.00 H new ATOM 0 HA SER A 58 3.868 12.059 -9.479 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.991 12.069 -6.544 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.033 13.690 -7.207 1.00 0.00 H new ATOM 0 HG SER A 58 2.185 12.334 -8.587 1.00 0.00 H new ATOM 736 N PRO A 59 6.029 13.279 -10.204 1.00 0.00 N ATOM 737 CA PRO A 59 7.103 14.191 -10.594 1.00 0.00 C ATOM 738 C PRO A 59 6.879 15.617 -10.082 1.00 0.00 C ATOM 739 O PRO A 59 6.401 16.478 -10.820 1.00 0.00 O ATOM 740 CB PRO A 59 7.061 14.152 -12.125 1.00 0.00 C ATOM 741 CG PRO A 59 6.445 12.834 -12.453 1.00 0.00 C ATOM 742 CD PRO A 59 5.457 12.561 -11.356 1.00 0.00 C ATOM 0 HA PRO A 59 8.063 13.893 -10.173 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.471 14.976 -12.526 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.061 14.239 -12.551 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.952 12.864 -13.425 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.201 12.050 -12.503 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.463 12.930 -11.608 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.360 11.494 -11.158 1.00 0.00 H new ATOM 750 N TYR A 60 7.226 15.861 -8.815 1.00 0.00 N ATOM 751 CA TYR A 60 7.058 17.185 -8.214 1.00 0.00 C ATOM 752 C TYR A 60 7.621 17.228 -6.779 1.00 0.00 C ATOM 753 O TYR A 60 8.827 17.077 -6.583 1.00 0.00 O ATOM 754 CB TYR A 60 5.575 17.585 -8.244 1.00 0.00 C ATOM 755 CG TYR A 60 5.315 19.022 -7.842 1.00 0.00 C ATOM 756 CD1 TYR A 60 6.211 20.032 -8.172 1.00 0.00 C ATOM 757 CD2 TYR A 60 4.169 19.367 -7.133 1.00 0.00 C ATOM 758 CE1 TYR A 60 5.974 21.344 -7.807 1.00 0.00 C ATOM 759 CE2 TYR A 60 3.927 20.677 -6.765 1.00 0.00 C ATOM 760 CZ TYR A 60 4.831 21.661 -7.103 1.00 0.00 C ATOM 761 OH TYR A 60 4.592 22.966 -6.738 1.00 0.00 O ATOM 0 H TYR A 60 7.623 15.161 -8.188 1.00 0.00 H new ATOM 0 HA TYR A 60 7.627 17.907 -8.800 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.186 17.424 -9.250 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.018 16.926 -7.578 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.107 19.788 -8.723 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.458 18.600 -6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.680 22.117 -8.072 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.033 20.929 -6.214 1.00 0.00 H new ATOM 0 HH TYR A 60 3.744 23.019 -6.249 1.00 0.00 H new ATOM 771 N SER A 61 6.755 17.433 -5.777 1.00 0.00 N ATOM 772 CA SER A 61 7.183 17.493 -4.377 1.00 0.00 C ATOM 773 C SER A 61 5.984 17.759 -3.465 1.00 0.00 C ATOM 774 O SER A 61 5.052 18.463 -3.852 1.00 0.00 O ATOM 775 CB SER A 61 8.237 18.588 -4.190 1.00 0.00 C ATOM 776 OG SER A 61 9.318 18.125 -3.398 1.00 0.00 O ATOM 0 H SER A 61 5.752 17.560 -5.913 1.00 0.00 H new ATOM 0 HA SER A 61 7.622 16.532 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.607 18.911 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.782 19.458 -3.717 1.00 0.00 H new ATOM 0 HG SER A 61 9.978 18.842 -3.295 1.00 0.00 H new ATOM 782 N SER A 62 5.999 17.192 -2.255 1.00 0.00 N ATOM 783 CA SER A 62 4.887 17.385 -1.325 1.00 0.00 C ATOM 784 C SER A 62 5.363 17.561 0.128 1.00 0.00 C ATOM 785 O SER A 62 6.288 18.331 0.388 1.00 0.00 O ATOM 786 CB SER A 62 3.892 16.226 -1.449 1.00 0.00 C ATOM 787 OG SER A 62 4.297 15.105 -0.686 1.00 0.00 O ATOM 0 H SER A 62 6.756 16.606 -1.902 1.00 0.00 H new ATOM 0 HA SER A 62 4.383 18.312 -1.597 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.907 16.555 -1.118 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.797 15.938 -2.496 1.00 0.00 H new ATOM 0 HG SER A 62 3.517 14.712 -0.242 1.00 0.00 H new ATOM 793 N LYS A 63 4.705 16.882 1.076 1.00 0.00 N ATOM 794 CA LYS A 63 5.044 17.012 2.494 1.00 0.00 C ATOM 795 C LYS A 63 4.408 15.893 3.326 1.00 0.00 C ATOM 796 O LYS A 63 3.642 15.080 2.814 1.00 0.00 O ATOM 797 CB LYS A 63 4.592 18.376 3.022 1.00 0.00 C ATOM 798 CG LYS A 63 5.735 19.353 3.247 1.00 0.00 C ATOM 799 CD LYS A 63 5.226 20.765 3.486 1.00 0.00 C ATOM 800 CE LYS A 63 5.395 21.636 2.250 1.00 0.00 C ATOM 801 NZ LYS A 63 4.613 22.899 2.350 1.00 0.00 N ATOM 0 H LYS A 63 3.937 16.239 0.885 1.00 0.00 H new ATOM 0 HA LYS A 63 6.127 16.929 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.886 18.813 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.057 18.233 3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.328 19.030 4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.396 19.346 2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.173 20.731 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.765 21.210 4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.450 21.872 2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.076 21.080 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.755 23.464 1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.603 22.675 2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.934 23.442 3.177 1.00 0.00 H new ATOM 815 N VAL A 64 4.751 15.848 4.614 1.00 0.00 N ATOM 816 CA VAL A 64 4.217 14.832 5.525 1.00 0.00 C ATOM 817 C VAL A 64 2.746 14.531 5.233 1.00 0.00 C ATOM 818 O VAL A 64 1.966 15.434 4.931 1.00 0.00 O ATOM 819 CB VAL A 64 4.352 15.273 6.996 1.00 0.00 C ATOM 820 CG1 VAL A 64 3.979 14.137 7.935 1.00 0.00 C ATOM 821 CG2 VAL A 64 5.762 15.767 7.281 1.00 0.00 C ATOM 0 H VAL A 64 5.398 16.504 5.052 1.00 0.00 H new ATOM 0 HA VAL A 64 4.805 13.929 5.362 1.00 0.00 H new ATOM 0 HB VAL A 64 3.661 16.098 7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.081 14.470 8.968 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.947 13.837 7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.640 13.288 7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.836 16.073 8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.475 14.965 7.087 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.987 16.617 6.636 1.00 0.00 H new ATOM 831 N ASN A 65 2.380 13.254 5.313 1.00 0.00 N ATOM 832 CA ASN A 65 1.010 12.833 5.046 1.00 0.00 C ATOM 833 C ASN A 65 0.635 11.614 5.884 1.00 0.00 C ATOM 834 O ASN A 65 1.492 10.990 6.511 1.00 0.00 O ATOM 835 CB ASN A 65 0.839 12.515 3.559 1.00 0.00 C ATOM 836 CG ASN A 65 -0.524 12.918 3.036 1.00 0.00 C ATOM 837 OD1 ASN A 65 -1.551 12.447 3.525 1.00 0.00 O ATOM 838 ND2 ASN A 65 -0.542 13.791 2.037 1.00 0.00 N ATOM 0 H ASN A 65 3.014 12.494 5.561 1.00 0.00 H new ATOM 0 HA ASN A 65 0.345 13.652 5.319 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.611 13.031 2.989 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.985 11.447 3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.432 14.098 1.644 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.334 14.156 1.662 1.00 0.00 H new ATOM 845 N THR A 66 -0.652 11.280 5.888 1.00 0.00 N ATOM 846 CA THR A 66 -1.147 10.135 6.645 1.00 0.00 C ATOM 847 C THR A 66 -1.082 8.860 5.810 1.00 0.00 C ATOM 848 O THR A 66 -1.408 8.863 4.625 1.00 0.00 O ATOM 849 CB THR A 66 -2.584 10.383 7.111 1.00 0.00 C ATOM 850 OG1 THR A 66 -2.925 11.752 6.985 1.00 0.00 O ATOM 851 CG2 THR A 66 -2.822 9.981 8.550 1.00 0.00 C ATOM 0 H THR A 66 -1.372 11.787 5.374 1.00 0.00 H new ATOM 0 HA THR A 66 -0.508 10.008 7.519 1.00 0.00 H new ATOM 0 HB THR A 66 -3.207 9.762 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.583 11.990 7.671 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.859 10.183 8.817 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.617 8.917 8.669 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.162 10.553 9.202 1.00 0.00 H new ATOM 859 N LEU A 67 -0.649 7.770 6.432 1.00 0.00 N ATOM 860 CA LEU A 67 -0.538 6.495 5.736 1.00 0.00 C ATOM 861 C LEU A 67 -1.438 5.441 6.377 1.00 0.00 C ATOM 862 O LEU A 67 -1.185 4.988 7.492 1.00 0.00 O ATOM 863 CB LEU A 67 0.922 6.031 5.730 1.00 0.00 C ATOM 864 CG LEU A 67 1.170 4.609 5.219 1.00 0.00 C ATOM 865 CD1 LEU A 67 0.440 4.369 3.906 1.00 0.00 C ATOM 866 CD2 LEU A 67 2.665 4.364 5.050 1.00 0.00 C ATOM 0 H LEU A 67 -0.370 7.744 7.413 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.869 6.631 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.500 6.722 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.310 6.104 6.746 1.00 0.00 H new ATOM 0 HG LEU A 67 0.780 3.907 5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.632 3.352 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.631 4.506 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.795 5.077 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.829 3.350 4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.072 5.077 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.165 4.490 6.010 1.00 0.00 H new ATOM 878 N VAL A 68 -2.497 5.062 5.664 1.00 0.00 N ATOM 879 CA VAL A 68 -3.443 4.070 6.160 1.00 0.00 C ATOM 880 C VAL A 68 -2.982 2.651 5.848 1.00 0.00 C ATOM 881 O VAL A 68 -3.180 2.152 4.741 1.00 0.00 O ATOM 882 CB VAL A 68 -4.845 4.276 5.555 1.00 0.00 C ATOM 883 CG1 VAL A 68 -5.855 3.352 6.217 1.00 0.00 C ATOM 884 CG2 VAL A 68 -5.277 5.727 5.684 1.00 0.00 C ATOM 0 H VAL A 68 -2.720 5.429 4.739 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.491 4.205 7.241 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.800 4.028 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.839 3.513 5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.554 2.315 6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.897 3.565 7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.269 5.851 5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.303 6.007 6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.569 6.366 5.157 1.00 0.00 H new ATOM 894 N MET A 69 -2.382 2.000 6.836 1.00 0.00 N ATOM 895 CA MET A 69 -1.910 0.632 6.672 1.00 0.00 C ATOM 896 C MET A 69 -2.381 -0.230 7.841 1.00 0.00 C ATOM 897 O MET A 69 -1.884 -0.099 8.959 1.00 0.00 O ATOM 898 CB MET A 69 -0.382 0.603 6.550 1.00 0.00 C ATOM 899 CG MET A 69 0.138 1.323 5.312 1.00 0.00 C ATOM 900 SD MET A 69 1.937 1.266 5.159 1.00 0.00 S ATOM 901 CE MET A 69 2.163 1.582 3.405 1.00 0.00 C ATOM 0 H MET A 69 -2.211 2.398 7.760 1.00 0.00 H new ATOM 0 HA MET A 69 -2.329 0.222 5.753 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.055 1.060 7.438 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.046 -0.434 6.527 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.310 0.876 4.425 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.185 2.364 5.342 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.199 1.384 3.130 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.504 0.931 2.830 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.923 2.623 3.189 1.00 0.00 H new ATOM 911 N ASP A 70 -3.362 -1.095 7.566 1.00 0.00 N ATOM 912 CA ASP A 70 -3.951 -1.987 8.573 1.00 0.00 C ATOM 913 C ASP A 70 -5.140 -1.322 9.260 1.00 0.00 C ATOM 914 O ASP A 70 -5.496 -1.676 10.384 1.00 0.00 O ATOM 915 CB ASP A 70 -2.924 -2.420 9.623 1.00 0.00 C ATOM 916 CG ASP A 70 -3.423 -3.570 10.478 1.00 0.00 C ATOM 917 OD1 ASP A 70 -4.361 -4.269 10.042 1.00 0.00 O ATOM 918 OD2 ASP A 70 -2.874 -3.770 11.581 1.00 0.00 O ATOM 0 H ASP A 70 -3.772 -1.198 6.638 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.293 -2.877 8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.001 -2.715 9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.683 -1.572 10.264 1.00 0.00 H new ATOM 923 N GLY A 71 -5.754 -0.360 8.578 1.00 0.00 N ATOM 924 CA GLY A 71 -6.900 0.333 9.137 1.00 0.00 C ATOM 925 C GLY A 71 -6.519 1.609 9.864 1.00 0.00 C ATOM 926 O GLY A 71 -7.327 2.532 9.974 1.00 0.00 O ATOM 0 H GLY A 71 -5.478 -0.048 7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.600 0.572 8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.419 -0.332 9.827 1.00 0.00 H new ATOM 930 N THR A 72 -5.288 1.665 10.363 1.00 0.00 N ATOM 931 CA THR A 72 -4.810 2.839 11.083 1.00 0.00 C ATOM 932 C THR A 72 -3.955 3.722 10.180 1.00 0.00 C ATOM 933 O THR A 72 -3.286 3.234 9.269 1.00 0.00 O ATOM 934 CB THR A 72 -4.006 2.418 12.314 1.00 0.00 C ATOM 935 OG1 THR A 72 -4.355 1.104 12.716 1.00 0.00 O ATOM 936 CG2 THR A 72 -4.213 3.330 13.504 1.00 0.00 C ATOM 0 H THR A 72 -4.605 0.912 10.282 1.00 0.00 H new ATOM 0 HA THR A 72 -5.679 3.414 11.405 1.00 0.00 H new ATOM 0 HB THR A 72 -2.961 2.474 12.009 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.829 0.852 13.504 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.614 2.975 14.343 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.908 4.343 13.243 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.266 3.329 13.784 1.00 0.00 H new ATOM 944 N ALA A 73 -3.983 5.027 10.438 1.00 0.00 N ATOM 945 CA ALA A 73 -3.213 5.981 9.648 1.00 0.00 C ATOM 946 C ALA A 73 -1.978 6.454 10.409 1.00 0.00 C ATOM 947 O ALA A 73 -2.086 7.202 11.381 1.00 0.00 O ATOM 948 CB ALA A 73 -4.085 7.165 9.258 1.00 0.00 C ATOM 0 H ALA A 73 -4.531 5.447 11.189 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.876 5.479 8.741 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.499 7.870 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.932 6.815 8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.450 7.660 10.158 1.00 0.00 H new ATOM 954 N LEU A 74 -0.804 6.013 9.964 1.00 0.00 N ATOM 955 CA LEU A 74 0.446 6.389 10.605 1.00 0.00 C ATOM 956 C LEU A 74 0.992 7.692 10.025 1.00 0.00 C ATOM 957 O LEU A 74 0.862 7.953 8.829 1.00 0.00 O ATOM 958 CB LEU A 74 1.483 5.266 10.462 1.00 0.00 C ATOM 959 CG LEU A 74 2.150 5.153 9.084 1.00 0.00 C ATOM 960 CD1 LEU A 74 3.665 5.146 9.221 1.00 0.00 C ATOM 961 CD2 LEU A 74 1.680 3.903 8.354 1.00 0.00 C ATOM 0 H LEU A 74 -0.696 5.394 9.161 1.00 0.00 H new ATOM 0 HA LEU A 74 0.245 6.548 11.664 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.260 5.416 11.211 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.999 4.317 10.691 1.00 0.00 H new ATOM 0 HG LEU A 74 1.858 6.023 8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.119 5.065 8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.992 6.071 9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.971 4.297 9.832 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.167 3.846 7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.937 3.021 8.941 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.599 3.946 8.217 1.00 0.00 H new ATOM 973 N SER A 75 1.609 8.503 10.880 1.00 0.00 N ATOM 974 CA SER A 75 2.182 9.773 10.450 1.00 0.00 C ATOM 975 C SER A 75 3.563 9.556 9.839 1.00 0.00 C ATOM 976 O SER A 75 4.402 8.861 10.412 1.00 0.00 O ATOM 977 CB SER A 75 2.277 10.741 11.631 1.00 0.00 C ATOM 978 OG SER A 75 3.296 10.348 12.533 1.00 0.00 O ATOM 0 H SER A 75 1.724 8.303 11.873 1.00 0.00 H new ATOM 0 HA SER A 75 1.529 10.206 9.692 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.480 11.747 11.265 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.320 10.778 12.152 1.00 0.00 H new ATOM 0 HG SER A 75 3.337 10.984 13.277 1.00 0.00 H new ATOM 984 N TYR A 76 3.787 10.144 8.669 1.00 0.00 N ATOM 985 CA TYR A 76 5.063 10.000 7.979 1.00 0.00 C ATOM 986 C TYR A 76 5.261 11.114 6.956 1.00 0.00 C ATOM 987 O TYR A 76 4.296 11.640 6.406 1.00 0.00 O ATOM 988 CB TYR A 76 5.128 8.638 7.286 1.00 0.00 C ATOM 989 CG TYR A 76 6.532 8.119 7.087 1.00 0.00 C ATOM 990 CD1 TYR A 76 7.196 7.448 8.106 1.00 0.00 C ATOM 991 CD2 TYR A 76 7.192 8.297 5.879 1.00 0.00 C ATOM 992 CE1 TYR A 76 8.481 6.970 7.926 1.00 0.00 C ATOM 993 CE2 TYR A 76 8.475 7.822 5.690 1.00 0.00 C ATOM 994 CZ TYR A 76 9.115 7.159 6.716 1.00 0.00 C ATOM 995 OH TYR A 76 10.393 6.683 6.532 1.00 0.00 O ATOM 0 H TYR A 76 3.104 10.723 8.180 1.00 0.00 H new ATOM 0 HA TYR A 76 5.861 10.070 8.718 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.564 7.915 7.875 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.637 8.711 6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.701 7.297 9.054 1.00 0.00 H new ATOM 0 HD2 TYR A 76 6.694 8.816 5.073 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.985 6.452 8.728 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.974 7.969 4.744 1.00 0.00 H new ATOM 0 HH TYR A 76 10.354 5.758 6.211 1.00 0.00 H new ATOM 1005 N ALA A 77 6.518 11.463 6.701 1.00 0.00 N ATOM 1006 CA ALA A 77 6.839 12.509 5.736 1.00 0.00 C ATOM 1007 C ALA A 77 6.762 11.964 4.314 1.00 0.00 C ATOM 1008 O ALA A 77 7.442 10.992 3.986 1.00 0.00 O ATOM 1009 CB ALA A 77 8.225 13.072 6.012 1.00 0.00 C ATOM 0 H ALA A 77 7.330 11.038 7.148 1.00 0.00 H new ATOM 0 HA ALA A 77 6.109 13.312 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.452 13.852 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.253 13.494 7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.964 12.275 5.932 1.00 0.00 H new ATOM 1015 N PHE A 78 5.929 12.576 3.467 1.00 0.00 N ATOM 1016 CA PHE A 78 5.792 12.106 2.098 1.00 0.00 C ATOM 1017 C PHE A 78 5.953 13.243 1.100 1.00 0.00 C ATOM 1018 O PHE A 78 5.456 14.349 1.310 1.00 0.00 O ATOM 1019 CB PHE A 78 4.438 11.423 1.903 1.00 0.00 C ATOM 1020 CG PHE A 78 4.479 9.945 2.163 1.00 0.00 C ATOM 1021 CD1 PHE A 78 4.272 9.448 3.439 1.00 0.00 C ATOM 1022 CD2 PHE A 78 4.732 9.054 1.133 1.00 0.00 C ATOM 1023 CE1 PHE A 78 4.315 8.088 3.683 1.00 0.00 C ATOM 1024 CE2 PHE A 78 4.777 7.694 1.370 1.00 0.00 C ATOM 1025 CZ PHE A 78 4.568 7.211 2.647 1.00 0.00 C ATOM 0 H PHE A 78 5.352 13.383 3.705 1.00 0.00 H new ATOM 0 HA PHE A 78 6.587 11.383 1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.707 11.882 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.094 11.597 0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.075 10.131 4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.896 9.427 0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.151 7.712 4.682 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.975 7.010 0.558 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.602 6.148 2.835 1.00 0.00 H new ATOM 1035 N ALA A 79 6.651 12.952 0.010 1.00 0.00 N ATOM 1036 CA ALA A 79 6.885 13.928 -1.040 1.00 0.00 C ATOM 1037 C ALA A 79 6.403 13.390 -2.380 1.00 0.00 C ATOM 1038 O ALA A 79 6.109 12.203 -2.508 1.00 0.00 O ATOM 1039 CB ALA A 79 8.363 14.284 -1.111 1.00 0.00 C ATOM 0 H ALA A 79 7.067 12.038 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 79 6.322 14.832 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.523 15.016 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.682 14.704 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.944 13.386 -1.324 1.00 0.00 H new ATOM 1045 N GLU A 80 6.336 14.258 -3.377 1.00 0.00 N ATOM 1046 CA GLU A 80 5.907 13.853 -4.705 1.00 0.00 C ATOM 1047 C GLU A 80 7.131 13.556 -5.570 1.00 0.00 C ATOM 1048 O GLU A 80 7.650 14.435 -6.259 1.00 0.00 O ATOM 1049 CB GLU A 80 5.037 14.942 -5.348 1.00 0.00 C ATOM 1050 CG GLU A 80 3.543 14.787 -5.067 1.00 0.00 C ATOM 1051 CD GLU A 80 2.805 16.111 -5.073 1.00 0.00 C ATOM 1052 OE1 GLU A 80 3.471 17.162 -5.160 1.00 0.00 O ATOM 1053 OE2 GLU A 80 1.559 16.095 -4.994 1.00 0.00 O ATOM 0 H GLU A 80 6.573 15.246 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 80 5.304 12.949 -4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.366 15.916 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.197 14.932 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.103 14.128 -5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.408 14.305 -4.099 1.00 0.00 H new ATOM 1060 N ALA A 81 7.594 12.309 -5.513 1.00 0.00 N ATOM 1061 CA ALA A 81 8.761 11.876 -6.278 1.00 0.00 C ATOM 1062 C ALA A 81 8.342 11.241 -7.592 1.00 0.00 C ATOM 1063 O ALA A 81 7.340 10.540 -7.650 1.00 0.00 O ATOM 1064 CB ALA A 81 9.582 10.883 -5.471 1.00 0.00 C ATOM 0 H ALA A 81 7.175 11.576 -4.941 1.00 0.00 H new ATOM 0 HA ALA A 81 9.368 12.756 -6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.448 10.569 -6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.917 11.354 -4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.970 10.013 -5.233 1.00 0.00 H new ATOM 1070 N THR A 82 9.113 11.482 -8.643 1.00 0.00 N ATOM 1071 CA THR A 82 8.799 10.918 -9.953 1.00 0.00 C ATOM 1072 C THR A 82 9.272 9.474 -10.065 1.00 0.00 C ATOM 1073 O THR A 82 8.663 8.665 -10.765 1.00 0.00 O ATOM 1074 CB THR A 82 9.416 11.748 -11.074 1.00 0.00 C ATOM 1075 OG1 THR A 82 9.671 10.948 -12.216 1.00 0.00 O ATOM 1076 CG2 THR A 82 10.714 12.432 -10.697 1.00 0.00 C ATOM 0 H THR A 82 9.954 12.059 -8.618 1.00 0.00 H new ATOM 0 HA THR A 82 7.714 10.938 -10.056 1.00 0.00 H new ATOM 0 HB THR A 82 8.674 12.519 -11.283 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.065 11.502 -12.922 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.086 13.001 -11.549 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.540 13.106 -9.859 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.451 11.682 -10.412 1.00 0.00 H new ATOM 1084 N VAL A 83 10.362 9.157 -9.379 1.00 0.00 N ATOM 1085 CA VAL A 83 10.916 7.812 -9.413 1.00 0.00 C ATOM 1086 C VAL A 83 10.132 6.886 -8.488 1.00 0.00 C ATOM 1087 O VAL A 83 9.855 7.240 -7.342 1.00 0.00 O ATOM 1088 CB VAL A 83 12.403 7.810 -8.996 1.00 0.00 C ATOM 1089 CG1 VAL A 83 12.933 6.389 -8.866 1.00 0.00 C ATOM 1090 CG2 VAL A 83 13.235 8.605 -9.991 1.00 0.00 C ATOM 0 H VAL A 83 10.879 9.813 -8.793 1.00 0.00 H new ATOM 0 HA VAL A 83 10.838 7.452 -10.439 1.00 0.00 H new ATOM 0 HB VAL A 83 12.482 8.287 -8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.982 6.417 -8.571 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.358 5.854 -8.110 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.839 5.877 -9.823 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.280 8.594 -9.682 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.144 8.158 -10.981 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.878 9.634 -10.024 1.00 0.00 H new ATOM 1100 N PRO A 84 9.760 5.685 -8.971 1.00 0.00 N ATOM 1101 CA PRO A 84 9.005 4.716 -8.173 1.00 0.00 C ATOM 1102 C PRO A 84 9.692 4.415 -6.848 1.00 0.00 C ATOM 1103 O PRO A 84 10.400 3.416 -6.714 1.00 0.00 O ATOM 1104 CB PRO A 84 8.971 3.466 -9.057 1.00 0.00 C ATOM 1105 CG PRO A 84 9.148 3.977 -10.444 1.00 0.00 C ATOM 1106 CD PRO A 84 10.045 5.179 -10.328 1.00 0.00 C ATOM 0 HA PRO A 84 8.014 5.086 -7.909 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.765 2.769 -8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.027 2.931 -8.950 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.594 3.217 -11.086 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.189 4.246 -10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.095 4.910 -10.445 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.820 5.924 -11.091 1.00 0.00 H new ATOM 1114 N VAL A 85 9.486 5.291 -5.873 1.00 0.00 N ATOM 1115 CA VAL A 85 10.090 5.128 -4.560 1.00 0.00 C ATOM 1116 C VAL A 85 9.313 4.121 -3.723 1.00 0.00 C ATOM 1117 O VAL A 85 8.083 4.177 -3.649 1.00 0.00 O ATOM 1118 CB VAL A 85 10.163 6.469 -3.807 1.00 0.00 C ATOM 1119 CG1 VAL A 85 10.959 6.314 -2.520 1.00 0.00 C ATOM 1120 CG2 VAL A 85 10.772 7.545 -4.697 1.00 0.00 C ATOM 0 H VAL A 85 8.904 6.123 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 85 11.103 4.757 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 85 9.151 6.777 -3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.001 7.271 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.477 5.575 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.971 5.985 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 85 10.817 8.487 -4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.779 7.248 -4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.157 7.671 -5.588 1.00 0.00 H new ATOM 1130 N THR A 86 10.041 3.197 -3.100 1.00 0.00 N ATOM 1131 CA THR A 86 9.428 2.168 -2.270 1.00 0.00 C ATOM 1132 C THR A 86 9.792 2.358 -0.800 1.00 0.00 C ATOM 1133 O THR A 86 10.891 2.808 -0.474 1.00 0.00 O ATOM 1134 CB THR A 86 9.866 0.779 -2.740 1.00 0.00 C ATOM 1135 OG1 THR A 86 11.221 0.794 -3.155 1.00 0.00 O ATOM 1136 CG2 THR A 86 9.039 0.248 -3.890 1.00 0.00 C ATOM 0 H THR A 86 11.058 3.142 -3.156 1.00 0.00 H new ATOM 0 HA THR A 86 8.346 2.256 -2.369 1.00 0.00 H new ATOM 0 HB THR A 86 9.724 0.125 -1.880 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.483 -0.103 -3.450 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.402 -0.740 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.995 0.177 -3.585 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.123 0.924 -4.741 1.00 0.00 H new ATOM 1144 N TYR A 87 8.860 2.011 0.082 1.00 0.00 N ATOM 1145 CA TYR A 87 9.075 2.139 1.519 1.00 0.00 C ATOM 1146 C TYR A 87 8.451 0.962 2.262 1.00 0.00 C ATOM 1147 O TYR A 87 7.229 0.841 2.333 1.00 0.00 O ATOM 1148 CB TYR A 87 8.480 3.455 2.024 1.00 0.00 C ATOM 1149 CG TYR A 87 8.659 3.675 3.509 1.00 0.00 C ATOM 1150 CD1 TYR A 87 9.925 3.684 4.080 1.00 0.00 C ATOM 1151 CD2 TYR A 87 7.563 3.875 4.337 1.00 0.00 C ATOM 1152 CE1 TYR A 87 10.094 3.886 5.437 1.00 0.00 C ATOM 1153 CE2 TYR A 87 7.722 4.079 5.694 1.00 0.00 C ATOM 1154 CZ TYR A 87 8.990 4.083 6.239 1.00 0.00 C ATOM 1155 OH TYR A 87 9.153 4.285 7.591 1.00 0.00 O ATOM 0 H TYR A 87 7.946 1.638 -0.174 1.00 0.00 H new ATOM 0 HA TYR A 87 10.148 2.138 1.710 1.00 0.00 H new ATOM 0 HB2 TYR A 87 8.942 4.282 1.485 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.416 3.476 1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 87 10.791 3.531 3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.570 3.871 3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 87 11.085 3.889 5.866 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.859 4.234 6.325 1.00 0.00 H new ATOM 0 HH TYR A 87 9.413 5.216 7.754 1.00 0.00 H new ATOM 1165 N VAL A 88 9.297 0.092 2.807 1.00 0.00 N ATOM 1166 CA VAL A 88 8.826 -1.083 3.532 1.00 0.00 C ATOM 1167 C VAL A 88 8.394 -0.735 4.952 1.00 0.00 C ATOM 1168 O VAL A 88 8.975 0.137 5.597 1.00 0.00 O ATOM 1169 CB VAL A 88 9.912 -2.176 3.598 1.00 0.00 C ATOM 1170 CG1 VAL A 88 9.369 -3.438 4.253 1.00 0.00 C ATOM 1171 CG2 VAL A 88 10.450 -2.478 2.207 1.00 0.00 C ATOM 0 H VAL A 88 10.312 0.179 2.760 1.00 0.00 H new ATOM 0 HA VAL A 88 7.965 -1.459 2.979 1.00 0.00 H new ATOM 0 HB VAL A 88 10.734 -1.805 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.152 -4.195 4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.039 -3.209 5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.526 -3.815 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.215 -3.251 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.637 -2.826 1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.884 -1.574 1.780 1.00 0.00 H new ATOM 1181 N GLN A 89 7.373 -1.438 5.432 1.00 0.00 N ATOM 1182 CA GLN A 89 6.853 -1.227 6.777 1.00 0.00 C ATOM 1183 C GLN A 89 6.357 -2.543 7.365 1.00 0.00 C ATOM 1184 O GLN A 89 5.376 -3.115 6.891 1.00 0.00 O ATOM 1185 CB GLN A 89 5.713 -0.207 6.757 1.00 0.00 C ATOM 1186 CG GLN A 89 6.183 1.230 6.600 1.00 0.00 C ATOM 1187 CD GLN A 89 5.578 1.913 5.390 1.00 0.00 C ATOM 1188 OE1 GLN A 89 5.141 3.060 5.464 1.00 0.00 O ATOM 1189 NE2 GLN A 89 5.548 1.207 4.265 1.00 0.00 N ATOM 0 H GLN A 89 6.887 -2.163 4.905 1.00 0.00 H new ATOM 0 HA GLN A 89 7.660 -0.841 7.399 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.034 -0.450 5.939 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.142 -0.295 7.682 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.925 1.793 7.497 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.270 1.246 6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.922 0.258 4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.151 1.614 3.418 1.00 0.00 H new ATOM 1198 N THR A 90 7.043 -3.022 8.396 1.00 0.00 N ATOM 1199 CA THR A 90 6.670 -4.274 9.040 1.00 0.00 C ATOM 1200 C THR A 90 5.574 -4.049 10.074 1.00 0.00 C ATOM 1201 O THR A 90 5.764 -3.325 11.052 1.00 0.00 O ATOM 1202 CB THR A 90 7.890 -4.921 9.689 1.00 0.00 C ATOM 1203 OG1 THR A 90 8.700 -3.947 10.324 1.00 0.00 O ATOM 1204 CG2 THR A 90 8.756 -5.667 8.698 1.00 0.00 C ATOM 0 H THR A 90 7.858 -2.563 8.803 1.00 0.00 H new ATOM 0 HA THR A 90 6.282 -4.947 8.276 1.00 0.00 H new ATOM 0 HB THR A 90 7.494 -5.631 10.415 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.139 -3.366 10.878 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.608 -6.106 9.217 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.172 -6.458 8.227 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.113 -4.976 7.934 1.00 0.00 H new ATOM 1212 N LYS A 91 4.422 -4.669 9.841 1.00 0.00 N ATOM 1213 CA LYS A 91 3.281 -4.535 10.742 1.00 0.00 C ATOM 1214 C LYS A 91 2.502 -5.845 10.827 1.00 0.00 C ATOM 1215 O LYS A 91 2.569 -6.677 9.923 1.00 0.00 O ATOM 1216 CB LYS A 91 2.357 -3.399 10.284 1.00 0.00 C ATOM 1217 CG LYS A 91 2.847 -2.662 9.043 1.00 0.00 C ATOM 1218 CD LYS A 91 2.222 -1.281 8.921 1.00 0.00 C ATOM 1219 CE LYS A 91 0.710 -1.329 9.067 1.00 0.00 C ATOM 1220 NZ LYS A 91 0.115 -2.463 8.310 1.00 0.00 N ATOM 0 H LYS A 91 4.253 -5.270 9.035 1.00 0.00 H new ATOM 0 HA LYS A 91 3.663 -4.293 11.734 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.367 -3.809 10.083 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.247 -2.683 11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.932 -2.567 9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.609 -3.248 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.640 -0.625 9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.480 -0.850 7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.450 -1.420 10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.281 -0.392 8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.577 -2.098 7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.866 -2.975 7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.360 -3.110 8.971 1.00 0.00 H new ATOM 1234 N THR A 92 1.776 -6.028 11.926 1.00 0.00 N ATOM 1235 CA THR A 92 1.002 -7.248 12.137 1.00 0.00 C ATOM 1236 C THR A 92 -0.452 -7.091 11.690 1.00 0.00 C ATOM 1237 O THR A 92 -1.159 -6.190 12.140 1.00 0.00 O ATOM 1238 CB THR A 92 1.046 -7.649 13.615 1.00 0.00 C ATOM 1239 OG1 THR A 92 1.464 -6.561 14.419 1.00 0.00 O ATOM 1240 CG2 THR A 92 1.979 -8.809 13.893 1.00 0.00 C ATOM 0 H THR A 92 1.707 -5.348 12.683 1.00 0.00 H new ATOM 0 HA THR A 92 1.455 -8.030 11.527 1.00 0.00 H new ATOM 0 HB THR A 92 0.029 -7.953 13.861 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.484 -6.837 15.359 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.963 -9.042 14.958 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.654 -9.681 13.326 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.993 -8.540 13.596 1.00 0.00 H new ATOM 1248 N LEU A 93 -0.896 -8.000 10.823 1.00 0.00 N ATOM 1249 CA LEU A 93 -2.272 -7.997 10.333 1.00 0.00 C ATOM 1250 C LEU A 93 -2.939 -9.333 10.646 1.00 0.00 C ATOM 1251 O LEU A 93 -2.304 -10.384 10.557 1.00 0.00 O ATOM 1252 CB LEU A 93 -2.326 -7.746 8.820 1.00 0.00 C ATOM 1253 CG LEU A 93 -1.410 -6.644 8.276 1.00 0.00 C ATOM 1254 CD1 LEU A 93 -1.264 -5.501 9.263 1.00 0.00 C ATOM 1255 CD2 LEU A 93 -0.051 -7.211 7.915 1.00 0.00 C ATOM 0 H LEU A 93 -0.319 -8.751 10.444 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.803 -7.189 10.837 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.079 -8.677 8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.353 -7.499 8.552 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.874 -6.245 7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.608 -4.739 8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.243 -5.066 9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.836 -5.876 10.193 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.585 -6.414 7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.409 -7.647 8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.169 -7.981 7.152 1.00 0.00 H new ATOM 1267 N SER A 94 -4.217 -9.294 11.009 1.00 0.00 N ATOM 1268 CA SER A 94 -4.947 -10.516 11.328 1.00 0.00 C ATOM 1269 C SER A 94 -5.881 -10.913 10.192 1.00 0.00 C ATOM 1270 O SER A 94 -6.423 -10.061 9.488 1.00 0.00 O ATOM 1271 CB SER A 94 -5.751 -10.348 12.616 1.00 0.00 C ATOM 1272 OG SER A 94 -4.897 -10.202 13.738 1.00 0.00 O ATOM 0 H SER A 94 -4.765 -8.437 11.089 1.00 0.00 H new ATOM 0 HA SER A 94 -4.211 -11.308 11.468 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.398 -9.475 12.532 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.399 -11.213 12.759 1.00 0.00 H new ATOM 0 HG SER A 94 -5.437 -10.095 14.549 1.00 0.00 H new ATOM 1278 N ALA A 95 -6.065 -12.216 10.029 1.00 0.00 N ATOM 1279 CA ALA A 95 -6.934 -12.753 8.990 1.00 0.00 C ATOM 1280 C ALA A 95 -8.322 -12.121 9.049 1.00 0.00 C ATOM 1281 O ALA A 95 -8.911 -11.990 10.123 1.00 0.00 O ATOM 1282 CB ALA A 95 -7.033 -14.262 9.136 1.00 0.00 C ATOM 0 H ALA A 95 -5.619 -12.927 10.609 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.501 -12.512 8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.684 -14.661 8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.041 -14.703 9.041 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.446 -14.507 10.115 1.00 0.00 H new ATOM 1288 N GLY A 96 -8.840 -11.731 7.889 1.00 0.00 N ATOM 1289 CA GLY A 96 -10.154 -11.117 7.833 1.00 0.00 C ATOM 1290 C GLY A 96 -10.221 -9.977 6.837 1.00 0.00 C ATOM 1291 O GLY A 96 -9.427 -9.917 5.899 1.00 0.00 O ATOM 0 H GLY A 96 -8.374 -11.829 6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.893 -11.872 7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.421 -10.746 8.823 1.00 0.00 H new ATOM 1295 N ASN A 97 -11.170 -9.069 7.041 1.00 0.00 N ATOM 1296 CA ASN A 97 -11.336 -7.925 6.152 1.00 0.00 C ATOM 1297 C ASN A 97 -10.595 -6.707 6.692 1.00 0.00 C ATOM 1298 O ASN A 97 -10.912 -6.201 7.769 1.00 0.00 O ATOM 1299 CB ASN A 97 -12.820 -7.599 5.978 1.00 0.00 C ATOM 1300 CG ASN A 97 -13.159 -7.179 4.561 1.00 0.00 C ATOM 1301 OD1 ASN A 97 -14.115 -7.676 3.966 1.00 0.00 O ATOM 1302 ND2 ASN A 97 -12.374 -6.258 4.014 1.00 0.00 N ATOM 0 H ASN A 97 -11.835 -9.103 7.813 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.913 -8.185 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.415 -8.472 6.247 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.097 -6.800 6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.553 -5.935 3.063 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.592 -5.874 4.545 1.00 0.00 H new ATOM 1309 N HIS A 98 -9.606 -6.241 5.936 1.00 0.00 N ATOM 1310 CA HIS A 98 -8.818 -5.081 6.339 1.00 0.00 C ATOM 1311 C HIS A 98 -8.603 -4.134 5.164 1.00 0.00 C ATOM 1312 O HIS A 98 -8.301 -4.566 4.051 1.00 0.00 O ATOM 1313 CB HIS A 98 -7.466 -5.529 6.898 1.00 0.00 C ATOM 1314 CG HIS A 98 -7.541 -6.068 8.292 1.00 0.00 C ATOM 1315 ND1 HIS A 98 -8.682 -6.006 9.063 1.00 0.00 N ATOM 1316 CD2 HIS A 98 -6.607 -6.686 9.055 1.00 0.00 C ATOM 1317 CE1 HIS A 98 -8.447 -6.559 10.240 1.00 0.00 C ATOM 1318 NE2 HIS A 98 -7.196 -6.980 10.259 1.00 0.00 N ATOM 0 H HIS A 98 -9.331 -6.648 5.042 1.00 0.00 H new ATOM 0 HA HIS A 98 -9.370 -4.550 7.115 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.048 -6.294 6.244 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -6.778 -4.684 6.881 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -9.569 -5.597 8.771 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -5.589 -6.906 8.769 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -9.157 -6.651 11.048 1.00 0.00 H new ATOM 1327 N SER A 99 -8.755 -2.840 5.419 1.00 0.00 N ATOM 1328 CA SER A 99 -8.573 -1.829 4.384 1.00 0.00 C ATOM 1329 C SER A 99 -7.161 -1.257 4.437 1.00 0.00 C ATOM 1330 O SER A 99 -6.566 -1.149 5.509 1.00 0.00 O ATOM 1331 CB SER A 99 -9.599 -0.707 4.549 1.00 0.00 C ATOM 1332 OG SER A 99 -10.892 -1.135 4.153 1.00 0.00 O ATOM 0 H SER A 99 -9.004 -2.466 6.334 1.00 0.00 H new ATOM 0 HA SER A 99 -8.722 -2.302 3.413 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.623 -0.382 5.589 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.299 0.155 3.953 1.00 0.00 H new ATOM 0 HG SER A 99 -11.530 -0.400 4.270 1.00 0.00 H new ATOM 1338 N PHE A 100 -6.625 -0.897 3.276 1.00 0.00 N ATOM 1339 CA PHE A 100 -5.278 -0.341 3.201 1.00 0.00 C ATOM 1340 C PHE A 100 -5.212 0.812 2.207 1.00 0.00 C ATOM 1341 O PHE A 100 -6.058 0.932 1.322 1.00 0.00 O ATOM 1342 CB PHE A 100 -4.279 -1.430 2.804 1.00 0.00 C ATOM 1343 CG PHE A 100 -3.641 -2.115 3.978 1.00 0.00 C ATOM 1344 CD1 PHE A 100 -4.328 -3.086 4.688 1.00 0.00 C ATOM 1345 CD2 PHE A 100 -2.354 -1.786 4.373 1.00 0.00 C ATOM 1346 CE1 PHE A 100 -3.745 -3.718 5.769 1.00 0.00 C ATOM 1347 CE2 PHE A 100 -1.766 -2.414 5.455 1.00 0.00 C ATOM 1348 CZ PHE A 100 -2.462 -3.380 6.153 1.00 0.00 C ATOM 0 H PHE A 100 -7.100 -0.980 2.377 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.018 0.044 4.187 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.789 -2.174 2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.499 -0.988 2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.332 -3.352 4.393 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.805 -1.031 3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.291 -4.475 6.313 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.763 -2.149 5.754 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.004 -3.871 6.999 1.00 0.00 H new ATOM 1358 N GLY A 101 -4.196 1.659 2.358 1.00 0.00 N ATOM 1359 CA GLY A 101 -4.037 2.789 1.463 1.00 0.00 C ATOM 1360 C GLY A 101 -3.265 3.934 2.084 1.00 0.00 C ATOM 1361 O GLY A 101 -2.453 3.731 2.988 1.00 0.00 O ATOM 0 H GLY A 101 -3.483 1.582 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.523 2.460 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.021 3.145 1.158 1.00 0.00 H new ATOM 1365 N VAL A 102 -3.515 5.140 1.588 1.00 0.00 N ATOM 1366 CA VAL A 102 -2.840 6.333 2.087 1.00 0.00 C ATOM 1367 C VAL A 102 -3.839 7.481 2.261 1.00 0.00 C ATOM 1368 O VAL A 102 -4.481 7.911 1.302 1.00 0.00 O ATOM 1369 CB VAL A 102 -1.680 6.764 1.154 1.00 0.00 C ATOM 1370 CG1 VAL A 102 -0.375 6.800 1.919 1.00 0.00 C ATOM 1371 CG2 VAL A 102 -1.535 5.822 -0.032 1.00 0.00 C ATOM 0 H VAL A 102 -4.183 5.318 0.838 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.411 6.088 3.059 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.919 7.760 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.430 7.104 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.454 7.513 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.160 5.809 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.712 6.156 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.330 4.813 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.459 5.821 -0.611 1.00 0.00 H new ATOM 1381 N ARG A 103 -3.988 7.946 3.504 1.00 0.00 N ATOM 1382 CA ARG A 103 -4.936 9.014 3.831 1.00 0.00 C ATOM 1383 C ARG A 103 -4.252 10.375 3.977 1.00 0.00 C ATOM 1384 O ARG A 103 -3.046 10.466 4.196 1.00 0.00 O ATOM 1385 CB ARG A 103 -5.674 8.641 5.132 1.00 0.00 C ATOM 1386 CG ARG A 103 -6.270 9.813 5.908 1.00 0.00 C ATOM 1387 CD ARG A 103 -7.597 10.267 5.321 1.00 0.00 C ATOM 1388 NE ARG A 103 -8.698 10.087 6.265 1.00 0.00 N ATOM 1389 CZ ARG A 103 -9.982 10.072 5.914 1.00 0.00 C ATOM 1390 NH1 ARG A 103 -10.333 10.235 4.645 1.00 0.00 N ATOM 1391 NH2 ARG A 103 -10.918 9.895 6.837 1.00 0.00 N ATOM 0 H ARG A 103 -3.461 7.597 4.305 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.644 9.108 3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.476 7.944 4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.980 8.111 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.414 9.523 6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.567 10.646 5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.529 11.317 5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.803 9.704 4.411 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.469 9.966 7.252 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.617 10.373 3.932 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.319 10.222 4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -10.654 9.771 7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.902 9.883 6.570 1.00 0.00 H new ATOM 1405 N VAL A 104 -5.053 11.434 3.875 1.00 0.00 N ATOM 1406 CA VAL A 104 -4.558 12.798 4.016 1.00 0.00 C ATOM 1407 C VAL A 104 -5.426 13.573 5.003 1.00 0.00 C ATOM 1408 O VAL A 104 -6.572 13.911 4.703 1.00 0.00 O ATOM 1409 CB VAL A 104 -4.540 13.544 2.667 1.00 0.00 C ATOM 1410 CG1 VAL A 104 -3.917 14.924 2.826 1.00 0.00 C ATOM 1411 CG2 VAL A 104 -3.797 12.735 1.617 1.00 0.00 C ATOM 0 H VAL A 104 -6.055 11.370 3.694 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.535 12.734 4.387 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.569 13.672 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.913 15.435 1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.498 15.505 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.893 14.822 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.796 13.279 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.770 12.572 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.292 11.773 1.481 1.00 0.00 H new ATOM 1421 N GLY A 105 -4.881 13.843 6.184 1.00 0.00 N ATOM 1422 CA GLY A 105 -5.629 14.565 7.197 1.00 0.00 C ATOM 1423 C GLY A 105 -5.047 15.935 7.493 1.00 0.00 C ATOM 1424 O GLY A 105 -4.078 16.356 6.863 1.00 0.00 O ATOM 0 H GLY A 105 -3.936 13.575 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.662 14.678 6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.649 13.978 8.115 1.00 0.00 H new ATOM 1428 N SER A 106 -5.645 16.628 8.457 1.00 0.00 N ATOM 1429 CA SER A 106 -5.187 17.959 8.840 1.00 0.00 C ATOM 1430 C SER A 106 -3.812 17.892 9.495 1.00 0.00 C ATOM 1431 O SER A 106 -2.947 18.727 9.231 1.00 0.00 O ATOM 1432 CB SER A 106 -6.188 18.609 9.796 1.00 0.00 C ATOM 1433 OG SER A 106 -7.487 18.642 9.230 1.00 0.00 O ATOM 0 H SER A 106 -6.448 16.290 8.987 1.00 0.00 H new ATOM 0 HA SER A 106 -5.111 18.565 7.937 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.211 18.056 10.735 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.865 19.623 10.032 1.00 0.00 H new ATOM 0 HG SER A 106 -8.108 19.061 9.862 1.00 0.00 H new ATOM 1439 N SER A 107 -3.615 16.893 10.350 1.00 0.00 N ATOM 1440 CA SER A 107 -2.343 16.720 11.040 1.00 0.00 C ATOM 1441 C SER A 107 -1.216 16.466 10.043 1.00 0.00 C ATOM 1442 O SER A 107 -0.061 16.808 10.296 1.00 0.00 O ATOM 1443 CB SER A 107 -2.432 15.561 12.037 1.00 0.00 C ATOM 1444 OG SER A 107 -1.823 15.902 13.271 1.00 0.00 O ATOM 0 H SER A 107 -4.319 16.192 10.581 1.00 0.00 H new ATOM 0 HA SER A 107 -2.123 17.639 11.583 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.477 15.300 12.203 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.946 14.679 11.619 1.00 0.00 H new ATOM 0 HG SER A 107 -1.895 15.146 13.891 1.00 0.00 H new ATOM 1450 N ASP A 108 -1.562 15.864 8.910 1.00 0.00 N ATOM 1451 CA ASP A 108 -0.584 15.565 7.872 1.00 0.00 C ATOM 1452 C ASP A 108 -1.198 15.737 6.487 1.00 0.00 C ATOM 1453 O ASP A 108 -1.861 14.835 5.974 1.00 0.00 O ATOM 1454 CB ASP A 108 -0.056 14.137 8.034 1.00 0.00 C ATOM 1455 CG ASP A 108 0.349 13.829 9.463 1.00 0.00 C ATOM 1456 OD1 ASP A 108 1.478 14.196 9.851 1.00 0.00 O ATOM 1457 OD2 ASP A 108 -0.462 13.221 10.192 1.00 0.00 O ATOM 0 H ASP A 108 -2.514 15.573 8.688 1.00 0.00 H new ATOM 0 HA ASP A 108 0.246 16.265 7.975 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.823 13.431 7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.802 13.993 7.377 1.00 0.00 H new ATOM 1462 N TRP A 109 -0.974 16.901 5.885 1.00 0.00 N ATOM 1463 CA TRP A 109 -1.507 17.191 4.559 1.00 0.00 C ATOM 1464 C TRP A 109 -0.382 17.444 3.561 1.00 0.00 C ATOM 1465 O TRP A 109 0.596 18.123 3.873 1.00 0.00 O ATOM 1466 CB TRP A 109 -2.450 18.397 4.616 1.00 0.00 C ATOM 1467 CG TRP A 109 -1.745 19.712 4.778 1.00 0.00 C ATOM 1468 CD1 TRP A 109 -1.524 20.647 3.808 1.00 0.00 C ATOM 1469 CD2 TRP A 109 -1.170 20.237 5.980 1.00 0.00 C ATOM 1470 NE1 TRP A 109 -0.846 21.720 4.333 1.00 0.00 N ATOM 1471 CE2 TRP A 109 -0.618 21.493 5.664 1.00 0.00 C ATOM 1472 CE3 TRP A 109 -1.069 19.767 7.293 1.00 0.00 C ATOM 1473 CZ2 TRP A 109 0.025 22.283 6.614 1.00 0.00 C ATOM 1474 CZ3 TRP A 109 -0.431 20.553 8.234 1.00 0.00 C ATOM 1475 CH2 TRP A 109 0.109 21.800 7.891 1.00 0.00 C ATOM 0 H TRP A 109 -0.427 17.658 6.295 1.00 0.00 H new ATOM 0 HA TRP A 109 -2.070 16.321 4.222 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -3.045 18.425 3.703 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -3.145 18.264 5.445 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -1.837 20.556 2.778 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -0.559 22.551 3.816 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.482 18.807 7.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 0.443 23.244 6.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.347 20.200 9.251 1.00 0.00 H new ATOM 0 HH2 TRP A 109 0.601 22.391 8.649 1.00 0.00 H new ATOM 1486 N GLY A 110 -0.529 16.895 2.361 1.00 0.00 N ATOM 1487 CA GLY A 110 0.483 17.072 1.337 1.00 0.00 C ATOM 1488 C GLY A 110 0.227 16.218 0.112 1.00 0.00 C ATOM 1489 O GLY A 110 0.605 15.046 0.076 1.00 0.00 O ATOM 0 H GLY A 110 -1.331 16.331 2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.518 18.121 1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.461 16.824 1.751 1.00 0.00 H new ATOM 1493 N TYR A 111 -0.420 16.809 -0.892 1.00 0.00 N ATOM 1494 CA TYR A 111 -0.738 16.108 -2.140 1.00 0.00 C ATOM 1495 C TYR A 111 0.395 15.173 -2.557 1.00 0.00 C ATOM 1496 O TYR A 111 1.559 15.567 -2.561 1.00 0.00 O ATOM 1497 CB TYR A 111 -1.022 17.109 -3.272 1.00 0.00 C ATOM 1498 CG TYR A 111 -0.421 18.483 -3.056 1.00 0.00 C ATOM 1499 CD1 TYR A 111 0.907 18.740 -3.375 1.00 0.00 C ATOM 1500 CD2 TYR A 111 -1.183 19.521 -2.535 1.00 0.00 C ATOM 1501 CE1 TYR A 111 1.458 19.992 -3.179 1.00 0.00 C ATOM 1502 CE2 TYR A 111 -0.639 20.776 -2.337 1.00 0.00 C ATOM 1503 CZ TYR A 111 0.681 21.006 -2.661 1.00 0.00 C ATOM 1504 OH TYR A 111 1.227 22.255 -2.467 1.00 0.00 O ATOM 0 H TYR A 111 -0.737 17.778 -0.866 1.00 0.00 H new ATOM 0 HA TYR A 111 -1.632 15.511 -1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -0.638 16.701 -4.207 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -2.101 17.212 -3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 111 1.518 17.948 -3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.218 19.344 -2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 111 2.492 20.175 -3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -1.245 21.572 -1.931 1.00 0.00 H new ATOM 0 HH TYR A 111 0.547 22.855 -2.097 1.00 0.00 H new ATOM 1514 N MET A 112 0.055 13.935 -2.906 1.00 0.00 N ATOM 1515 CA MET A 112 1.077 12.969 -3.316 1.00 0.00 C ATOM 1516 C MET A 112 0.505 11.851 -4.180 1.00 0.00 C ATOM 1517 O MET A 112 -0.687 11.562 -4.126 1.00 0.00 O ATOM 1518 CB MET A 112 1.770 12.373 -2.085 1.00 0.00 C ATOM 1519 CG MET A 112 0.895 11.417 -1.285 1.00 0.00 C ATOM 1520 SD MET A 112 1.860 10.277 -0.271 1.00 0.00 S ATOM 1521 CE MET A 112 1.949 8.847 -1.349 1.00 0.00 C ATOM 0 H MET A 112 -0.901 13.579 -2.915 1.00 0.00 H new ATOM 0 HA MET A 112 1.804 13.511 -3.920 1.00 0.00 H new ATOM 0 HB2 MET A 112 2.668 11.845 -2.406 1.00 0.00 H new ATOM 0 HB3 MET A 112 2.093 13.185 -1.434 1.00 0.00 H new ATOM 0 HG2 MET A 112 0.227 11.992 -0.643 1.00 0.00 H new ATOM 0 HG3 MET A 112 0.267 10.846 -1.969 1.00 0.00 H new ATOM 0 HE1 MET A 112 2.081 7.947 -0.749 1.00 0.00 H new ATOM 0 HE2 MET A 112 1.027 8.767 -1.925 1.00 0.00 H new ATOM 0 HE3 MET A 112 2.793 8.956 -2.030 1.00 0.00 H new ATOM 1531 N ASN A 113 1.376 11.218 -4.969 1.00 0.00 N ATOM 1532 CA ASN A 113 0.965 10.123 -5.840 1.00 0.00 C ATOM 1533 C ASN A 113 0.862 8.826 -5.053 1.00 0.00 C ATOM 1534 O ASN A 113 1.497 8.663 -4.013 1.00 0.00 O ATOM 1535 CB ASN A 113 1.959 9.930 -6.990 1.00 0.00 C ATOM 1536 CG ASN A 113 1.352 10.216 -8.353 1.00 0.00 C ATOM 1537 OD1 ASN A 113 1.997 10.807 -9.220 1.00 0.00 O ATOM 1538 ND2 ASN A 113 0.112 9.789 -8.556 1.00 0.00 N ATOM 0 H ASN A 113 2.369 11.447 -5.020 1.00 0.00 H new ATOM 0 HA ASN A 113 -0.011 10.381 -6.252 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.817 10.585 -6.836 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.333 8.906 -6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.341 9.947 -9.456 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.388 9.303 -7.812 1.00 0.00 H new ATOM 1545 N VAL A 114 0.059 7.906 -5.560 1.00 0.00 N ATOM 1546 CA VAL A 114 -0.136 6.621 -4.920 1.00 0.00 C ATOM 1547 C VAL A 114 -0.187 5.510 -5.965 1.00 0.00 C ATOM 1548 O VAL A 114 -1.228 5.258 -6.573 1.00 0.00 O ATOM 1549 CB VAL A 114 -1.428 6.609 -4.084 1.00 0.00 C ATOM 1550 CG1 VAL A 114 -1.581 5.285 -3.368 1.00 0.00 C ATOM 1551 CG2 VAL A 114 -1.437 7.764 -3.090 1.00 0.00 C ATOM 0 H VAL A 114 -0.472 8.030 -6.422 1.00 0.00 H new ATOM 0 HA VAL A 114 0.708 6.448 -4.253 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.275 6.736 -4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -2.500 5.293 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -1.625 4.478 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -0.729 5.129 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.359 7.737 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.583 7.673 -2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.376 8.709 -3.630 1.00 0.00 H new ATOM 1561 N HIS A 115 0.950 4.858 -6.171 1.00 0.00 N ATOM 1562 CA HIS A 115 1.058 3.779 -7.145 1.00 0.00 C ATOM 1563 C HIS A 115 0.287 2.557 -6.705 1.00 0.00 C ATOM 1564 O HIS A 115 -0.571 2.065 -7.438 1.00 0.00 O ATOM 1565 CB HIS A 115 2.524 3.415 -7.374 1.00 0.00 C ATOM 1566 CG HIS A 115 2.801 2.883 -8.746 1.00 0.00 C ATOM 1567 ND1 HIS A 115 2.144 3.328 -9.873 1.00 0.00 N ATOM 1568 CD2 HIS A 115 3.672 1.937 -9.170 1.00 0.00 C ATOM 1569 CE1 HIS A 115 2.597 2.678 -10.930 1.00 0.00 C ATOM 1570 NE2 HIS A 115 3.525 1.829 -10.532 1.00 0.00 N ATOM 0 H HIS A 115 1.817 5.060 -5.672 1.00 0.00 H new ATOM 0 HA HIS A 115 0.625 4.134 -8.080 1.00 0.00 H new ATOM 0 HB2 HIS A 115 3.140 4.298 -7.204 1.00 0.00 H new ATOM 0 HB3 HIS A 115 2.824 2.670 -6.637 1.00 0.00 H new ATOM 0 HD2 HIS A 115 4.355 1.372 -8.553 1.00 0.00 H new ATOM 0 HE1 HIS A 115 2.264 2.818 -11.948 1.00 0.00 H new ATOM 0 HE2 HIS A 115 4.048 1.196 -11.137 1.00 0.00 H new ATOM 1579 N SER A 116 0.598 2.051 -5.524 1.00 0.00 N ATOM 1580 CA SER A 116 -0.079 0.865 -5.040 1.00 0.00 C ATOM 1581 C SER A 116 0.391 0.478 -3.642 1.00 0.00 C ATOM 1582 O SER A 116 1.472 0.882 -3.194 1.00 0.00 O ATOM 1583 CB SER A 116 0.166 -0.272 -6.031 1.00 0.00 C ATOM 1584 OG SER A 116 1.230 -1.110 -5.610 1.00 0.00 O ATOM 0 H SER A 116 1.302 2.436 -4.894 1.00 0.00 H new ATOM 0 HA SER A 116 -1.147 1.070 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 116 -0.743 -0.864 -6.139 1.00 0.00 H new ATOM 0 HB3 SER A 116 0.395 0.143 -7.013 1.00 0.00 H new ATOM 0 HG SER A 116 1.360 -1.828 -6.265 1.00 0.00 H new ATOM 1590 N LEU A 117 -0.437 -0.312 -2.961 1.00 0.00 N ATOM 1591 CA LEU A 117 -0.135 -0.773 -1.616 1.00 0.00 C ATOM 1592 C LEU A 117 0.240 -2.250 -1.637 1.00 0.00 C ATOM 1593 O LEU A 117 -0.628 -3.124 -1.665 1.00 0.00 O ATOM 1594 CB LEU A 117 -1.339 -0.535 -0.695 1.00 0.00 C ATOM 1595 CG LEU A 117 -1.234 0.708 0.189 1.00 0.00 C ATOM 1596 CD1 LEU A 117 -0.315 0.435 1.367 1.00 0.00 C ATOM 1597 CD2 LEU A 117 -0.744 1.894 -0.633 1.00 0.00 C ATOM 0 H LEU A 117 -1.329 -0.646 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 117 0.714 -0.208 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.237 -0.453 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.468 -1.408 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.220 0.955 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.247 1.327 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.715 -0.390 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.677 0.172 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.673 2.775 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.237 1.667 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.446 2.090 -1.444 1.00 0.00 H new ATOM 1609 N LYS A 118 1.541 -2.520 -1.640 1.00 0.00 N ATOM 1610 CA LYS A 118 2.038 -3.889 -1.673 1.00 0.00 C ATOM 1611 C LYS A 118 2.111 -4.485 -0.271 1.00 0.00 C ATOM 1612 O LYS A 118 2.666 -3.880 0.646 1.00 0.00 O ATOM 1613 CB LYS A 118 3.419 -3.934 -2.329 1.00 0.00 C ATOM 1614 CG LYS A 118 3.977 -5.341 -2.480 1.00 0.00 C ATOM 1615 CD LYS A 118 4.878 -5.455 -3.699 1.00 0.00 C ATOM 1616 CE LYS A 118 6.117 -6.285 -3.401 1.00 0.00 C ATOM 1617 NZ LYS A 118 7.058 -5.572 -2.493 1.00 0.00 N ATOM 0 H LYS A 118 2.270 -1.807 -1.620 1.00 0.00 H new ATOM 0 HA LYS A 118 1.339 -4.484 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.360 -3.468 -3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.113 -3.339 -1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 118 4.538 -5.609 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.155 -6.052 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.324 -5.909 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.176 -4.459 -4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.820 -7.230 -2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.626 -6.526 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.994 -6.022 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.137 -4.577 -2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.701 -5.618 -1.517 1.00 0.00 H new ATOM 1631 N LEU A 119 1.553 -5.679 -0.121 1.00 0.00 N ATOM 1632 CA LEU A 119 1.555 -6.374 1.159 1.00 0.00 C ATOM 1633 C LEU A 119 2.052 -7.808 0.976 1.00 0.00 C ATOM 1634 O LEU A 119 1.356 -8.647 0.402 1.00 0.00 O ATOM 1635 CB LEU A 119 0.149 -6.358 1.769 1.00 0.00 C ATOM 1636 CG LEU A 119 0.072 -5.864 3.220 1.00 0.00 C ATOM 1637 CD1 LEU A 119 -0.889 -4.690 3.352 1.00 0.00 C ATOM 1638 CD2 LEU A 119 -0.350 -6.997 4.144 1.00 0.00 C ATOM 0 H LEU A 119 1.091 -6.188 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 119 2.231 -5.861 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.490 -5.726 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -0.261 -7.367 1.723 1.00 0.00 H new ATOM 0 HG LEU A 119 1.065 -5.522 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -0.922 -4.362 4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -0.548 -3.868 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -1.886 -4.999 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.400 -6.631 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.330 -7.367 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 119 0.377 -7.806 4.083 1.00 0.00 H new ATOM 1650 N GLU A 120 3.268 -8.075 1.448 1.00 0.00 N ATOM 1651 CA GLU A 120 3.870 -9.401 1.319 1.00 0.00 C ATOM 1652 C GLU A 120 3.877 -10.147 2.650 1.00 0.00 C ATOM 1653 O GLU A 120 3.645 -9.561 3.705 1.00 0.00 O ATOM 1654 CB GLU A 120 5.302 -9.275 0.795 1.00 0.00 C ATOM 1655 CG GLU A 120 5.668 -10.325 -0.242 1.00 0.00 C ATOM 1656 CD GLU A 120 7.163 -10.558 -0.330 1.00 0.00 C ATOM 1657 OE1 GLU A 120 7.831 -10.533 0.724 1.00 0.00 O ATOM 1658 OE2 GLU A 120 7.666 -10.766 -1.455 1.00 0.00 O ATOM 0 H GLU A 120 3.856 -7.391 1.923 1.00 0.00 H new ATOM 0 HA GLU A 120 3.267 -9.972 0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.434 -8.285 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.994 -9.349 1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.171 -11.263 0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.294 -10.013 -1.217 1.00 0.00 H new ATOM 1665 N LEU A 121 4.156 -11.447 2.593 1.00 0.00 N ATOM 1666 CA LEU A 121 4.205 -12.275 3.794 1.00 0.00 C ATOM 1667 C LEU A 121 5.548 -12.115 4.504 1.00 0.00 C ATOM 1668 O LEU A 121 6.246 -13.097 4.763 1.00 0.00 O ATOM 1669 CB LEU A 121 3.982 -13.752 3.436 1.00 0.00 C ATOM 1670 CG LEU A 121 2.581 -14.138 2.936 1.00 0.00 C ATOM 1671 CD1 LEU A 121 1.807 -14.866 4.027 1.00 0.00 C ATOM 1672 CD2 LEU A 121 1.799 -12.923 2.454 1.00 0.00 C ATOM 0 H LEU A 121 4.352 -11.949 1.727 1.00 0.00 H new ATOM 0 HA LEU A 121 3.411 -11.947 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 121 4.705 -14.029 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.206 -14.353 4.317 1.00 0.00 H new ATOM 0 HG LEU A 121 2.710 -14.807 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.817 -15.132 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 121 2.343 -15.772 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 121 1.706 -14.216 4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.814 -13.238 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.686 -12.214 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.336 -12.447 1.634 1.00 0.00 H new ATOM 1684 N LEU A 122 5.910 -10.873 4.811 1.00 0.00 N ATOM 1685 CA LEU A 122 7.172 -10.590 5.483 1.00 0.00 C ATOM 1686 C LEU A 122 8.352 -11.125 4.674 1.00 0.00 C ATOM 1687 O LEU A 122 8.169 -11.738 3.623 1.00 0.00 O ATOM 1688 CB LEU A 122 7.178 -11.201 6.887 1.00 0.00 C ATOM 1689 CG LEU A 122 7.218 -10.190 8.035 1.00 0.00 C ATOM 1690 CD1 LEU A 122 7.292 -10.907 9.373 1.00 0.00 C ATOM 1691 CD2 LEU A 122 8.398 -9.243 7.870 1.00 0.00 C ATOM 0 H LEU A 122 5.347 -10.048 4.605 1.00 0.00 H new ATOM 0 HA LEU A 122 7.275 -9.508 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 122 6.289 -11.821 7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 122 8.040 -11.862 6.975 1.00 0.00 H new ATOM 0 HG LEU A 122 6.300 -9.603 8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 122 7.320 -10.173 10.178 1.00 0.00 H new ATOM 0 HD12 LEU A 122 6.416 -11.544 9.493 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.193 -11.519 9.409 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.411 -8.531 8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.326 -9.815 7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.303 -8.704 6.927 1.00 0.00 H new