USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0343) USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 GLN : amide:sc= -5.98! C(o=-12!,f=-17!) USER MOD Set 2.2: A 81 MET CE :methyl -140:sc= -5.97! (180deg=-11.8!) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -8.86! C(o=-10!,f=-11!) USER MOD Set 3.2: A 24 SER OG : rot -170:sc= -0.546 USER MOD Set 3.3: A 48 MET CE :methyl -160:sc= -0.96 (180deg=-0.15) USER MOD Set 4.1: A 7 CYS SG : rot 73:sc= 0.213 USER MOD Set 4.2: A 9 CYS SG : rot 180:sc= -0.0289 USER MOD Single : A 4 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.87) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0704 X(o=-0.07,f=-0.46) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0916 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -149:sc= -6.19! (180deg=-7.33!) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 0.289 (180deg=0.217) USER MOD Single : A 27 TYR OH : rot 107:sc= -1.65 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -52:sc= 0.405 USER MOD Single : A 34 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.06) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -2.73 F(o=-4.8,f=-2.7) USER MOD Single : A 43 GLN : amide:sc= -3.19! C(o=-3.2!,f=-3.1!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0684 USER MOD Single : A 57 MET CE :methyl -175:sc= -2.7 (180deg=-2.71) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0868 X(o=-0.087,f=-0.00051) USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= 0.48 (180deg=0.286) USER MOD Single : A 72 THR OG1 : rot 39:sc= -2.43! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 0:sc= 0.938 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.534 1.819 19.197 1.00 55.31 N ATOM 2 CA ALA A 2 -13.212 1.217 17.909 1.00 11.51 C ATOM 3 C ALA A 2 -11.858 0.518 17.954 1.00 70.42 C ATOM 4 O ALA A 2 -11.017 0.825 18.799 1.00 52.53 O ATOM 5 CB ALA A 2 -13.226 2.274 16.814 1.00 13.14 C ATOM 0 HA ALA A 2 -13.972 0.468 17.686 1.00 11.51 H new ATOM 0 HB1 ALA A 2 -12.984 1.810 15.858 1.00 13.14 H new ATOM 0 HB2 ALA A 2 -14.216 2.726 16.758 1.00 13.14 H new ATOM 0 HB3 ALA A 2 -12.488 3.043 17.041 1.00 13.14 H new ATOM 11 N ARG A 3 -11.654 -0.425 17.040 1.00 71.51 N ATOM 12 CA ARG A 3 -10.403 -1.170 16.977 1.00 65.52 C ATOM 13 C ARG A 3 -9.532 -0.674 15.826 1.00 21.31 C ATOM 14 O ARG A 3 -9.995 -0.555 14.692 1.00 32.03 O ATOM 15 CB ARG A 3 -10.682 -2.665 16.811 1.00 21.43 C ATOM 16 CG ARG A 3 -10.779 -3.416 18.129 1.00 31.42 C ATOM 17 CD ARG A 3 -12.182 -3.341 18.711 1.00 72.52 C ATOM 18 NE ARG A 3 -12.215 -3.745 20.114 1.00 73.41 N ATOM 19 CZ ARG A 3 -13.328 -4.089 20.754 1.00 64.24 C ATOM 20 NH1 ARG A 3 -14.492 -4.078 20.119 1.00 64.41 N ATOM 21 NH2 ARG A 3 -13.277 -4.445 22.031 1.00 62.22 N ATOM 0 H ARG A 3 -12.339 -0.691 16.333 1.00 71.51 H new ATOM 0 HA ARG A 3 -9.867 -1.009 17.912 1.00 65.52 H new ATOM 0 HB2 ARG A 3 -11.614 -2.793 16.260 1.00 21.43 H new ATOM 0 HB3 ARG A 3 -9.891 -3.109 16.207 1.00 21.43 H new ATOM 0 HG2 ARG A 3 -10.503 -4.459 17.976 1.00 31.42 H new ATOM 0 HG3 ARG A 3 -10.066 -2.999 18.840 1.00 31.42 H new ATOM 0 HD2 ARG A 3 -12.559 -2.322 18.618 1.00 72.52 H new ATOM 0 HD3 ARG A 3 -12.849 -3.982 18.134 1.00 72.52 H new ATOM 0 HE ARG A 3 -11.336 -3.764 20.631 1.00 73.41 H new ATOM 0 HH11 ARG A 3 -14.535 -3.805 19.137 1.00 64.41 H new ATOM 0 HH12 ARG A 3 -15.345 -4.342 20.612 1.00 64.41 H new ATOM 0 HH21 ARG A 3 -12.383 -4.455 22.522 1.00 62.22 H new ATOM 0 HH22 ARG A 3 -14.132 -4.709 22.521 1.00 62.22 H new ATOM 35 N GLN A 4 -8.270 -0.387 16.127 1.00 3.32 N ATOM 36 CA GLN A 4 -7.335 0.098 15.118 1.00 74.51 C ATOM 37 C GLN A 4 -6.699 -1.065 14.363 1.00 50.21 C ATOM 38 O GLN A 4 -6.469 -2.134 14.928 1.00 73.21 O ATOM 39 CB GLN A 4 -6.248 0.955 15.768 1.00 33.14 C ATOM 40 CG GLN A 4 -5.306 0.166 16.664 1.00 51.44 C ATOM 41 CD GLN A 4 -5.235 0.724 18.071 1.00 12.34 C ATOM 42 OE1 GLN A 4 -5.389 1.928 18.283 1.00 32.52 O ATOM 43 NE2 GLN A 4 -5.001 -0.149 19.044 1.00 72.44 N ATOM 0 H GLN A 4 -7.871 -0.482 17.061 1.00 3.32 H new ATOM 0 HA GLN A 4 -7.891 0.709 14.407 1.00 74.51 H new ATOM 0 HB2 GLN A 4 -5.667 1.445 14.986 1.00 33.14 H new ATOM 0 HB3 GLN A 4 -6.720 1.742 16.355 1.00 33.14 H new ATOM 0 HG2 GLN A 4 -5.635 -0.872 16.705 1.00 51.44 H new ATOM 0 HG3 GLN A 4 -4.308 0.167 16.226 1.00 51.44 H new ATOM 0 HE21 GLN A 4 -4.880 -1.138 18.824 1.00 72.44 H new ATOM 0 HE22 GLN A 4 -4.943 0.169 20.011 1.00 72.44 H new ATOM 52 N VAL A 5 -6.416 -0.848 13.082 1.00 35.21 N ATOM 53 CA VAL A 5 -5.806 -1.878 12.249 1.00 1.54 C ATOM 54 C VAL A 5 -4.451 -1.423 11.719 1.00 23.12 C ATOM 55 O VAL A 5 -4.170 -0.226 11.648 1.00 33.14 O ATOM 56 CB VAL A 5 -6.712 -2.248 11.060 1.00 10.02 C ATOM 57 CG1 VAL A 5 -8.070 -2.724 11.552 1.00 73.41 C ATOM 58 CG2 VAL A 5 -6.863 -1.064 10.117 1.00 65.44 C ATOM 0 H VAL A 5 -6.599 0.031 12.599 1.00 35.21 H new ATOM 0 HA VAL A 5 -5.671 -2.757 12.880 1.00 1.54 H new ATOM 0 HB VAL A 5 -6.245 -3.065 10.510 1.00 10.02 H new ATOM 0 HG11 VAL A 5 -8.697 -2.981 10.698 1.00 73.41 H new ATOM 0 HG12 VAL A 5 -7.940 -3.602 12.184 1.00 73.41 H new ATOM 0 HG13 VAL A 5 -8.547 -1.930 12.127 1.00 73.41 H new ATOM 0 HG21 VAL A 5 -7.506 -1.343 9.283 1.00 65.44 H new ATOM 0 HG22 VAL A 5 -7.308 -0.226 10.654 1.00 65.44 H new ATOM 0 HG23 VAL A 5 -5.883 -0.773 9.738 1.00 65.44 H new ATOM 68 N ILE A 6 -3.614 -2.386 11.347 1.00 1.15 N ATOM 69 CA ILE A 6 -2.288 -2.084 10.822 1.00 72.42 C ATOM 70 C ILE A 6 -2.333 -1.860 9.314 1.00 3.32 C ATOM 71 O ILE A 6 -3.169 -2.433 8.615 1.00 31.33 O ATOM 72 CB ILE A 6 -1.289 -3.215 11.132 1.00 52.31 C ATOM 73 CG1 ILE A 6 -1.359 -3.595 12.612 1.00 1.23 C ATOM 74 CG2 ILE A 6 0.123 -2.792 10.754 1.00 74.22 C ATOM 75 CD1 ILE A 6 -2.336 -4.712 12.904 1.00 61.21 C ATOM 0 H ILE A 6 -3.831 -3.381 11.399 1.00 1.15 H new ATOM 0 HA ILE A 6 -1.954 -1.170 11.313 1.00 72.42 H new ATOM 0 HB ILE A 6 -1.557 -4.090 10.539 1.00 52.31 H new ATOM 0 HG12 ILE A 6 -0.367 -3.894 12.949 1.00 1.23 H new ATOM 0 HG13 ILE A 6 -1.641 -2.716 13.191 1.00 1.23 H new ATOM 0 HG21 ILE A 6 0.818 -3.601 10.979 1.00 74.22 H new ATOM 0 HG22 ILE A 6 0.162 -2.566 9.688 1.00 74.22 H new ATOM 0 HG23 ILE A 6 0.402 -1.906 11.324 1.00 74.22 H new ATOM 0 HD11 ILE A 6 -2.333 -4.928 13.972 1.00 61.21 H new ATOM 0 HD12 ILE A 6 -3.337 -4.409 12.598 1.00 61.21 H new ATOM 0 HD13 ILE A 6 -2.043 -5.605 12.352 1.00 61.21 H new ATOM 87 N CYS A 7 -1.427 -1.024 8.819 1.00 1.34 N ATOM 88 CA CYS A 7 -1.361 -0.724 7.393 1.00 15.34 C ATOM 89 C CYS A 7 -0.678 -1.854 6.631 1.00 50.02 C ATOM 90 O CYS A 7 0.103 -2.616 7.200 1.00 64.10 O ATOM 91 CB CYS A 7 -0.613 0.590 7.161 1.00 34.12 C ATOM 92 SG CYS A 7 1.182 0.456 7.325 1.00 63.44 S ATOM 0 H CYS A 7 -0.728 -0.542 9.384 1.00 1.34 H new ATOM 0 HA CYS A 7 -2.380 -0.624 7.020 1.00 15.34 H new ATOM 0 HB2 CYS A 7 -0.849 0.959 6.163 1.00 34.12 H new ATOM 0 HB3 CYS A 7 -0.977 1.333 7.870 1.00 34.12 H new ATOM 0 HG CYS A 7 1.664 -0.186 6.303 1.00 63.44 H new ATOM 98 N TRP A 8 -0.979 -1.957 5.341 1.00 0.15 N ATOM 99 CA TRP A 8 -0.395 -2.996 4.501 1.00 4.20 C ATOM 100 C TRP A 8 0.651 -2.410 3.559 1.00 40.32 C ATOM 101 O TRP A 8 0.326 -1.625 2.667 1.00 72.33 O ATOM 102 CB TRP A 8 -1.486 -3.703 3.695 1.00 1.34 C ATOM 103 CG TRP A 8 -2.431 -4.497 4.545 1.00 15.52 C ATOM 104 CD1 TRP A 8 -3.309 -4.008 5.471 1.00 63.11 C ATOM 105 CD2 TRP A 8 -2.593 -5.919 4.548 1.00 25.24 C ATOM 106 NE1 TRP A 8 -4.005 -5.041 6.049 1.00 35.54 N ATOM 107 CE2 TRP A 8 -3.585 -6.224 5.500 1.00 13.12 C ATOM 108 CE3 TRP A 8 -1.997 -6.965 3.839 1.00 44.04 C ATOM 109 CZ2 TRP A 8 -3.992 -7.530 5.759 1.00 70.00 C ATOM 110 CZ3 TRP A 8 -2.401 -8.261 4.097 1.00 51.22 C ATOM 111 CH2 TRP A 8 -3.392 -8.534 5.050 1.00 65.44 C ATOM 0 H TRP A 8 -1.624 -1.334 4.855 1.00 0.15 H new ATOM 0 HA TRP A 8 0.094 -3.722 5.151 1.00 4.20 H new ATOM 0 HB2 TRP A 8 -2.051 -2.960 3.132 1.00 1.34 H new ATOM 0 HB3 TRP A 8 -1.018 -4.366 2.967 1.00 1.34 H new ATOM 0 HD1 TRP A 8 -3.437 -2.963 5.713 1.00 63.11 H new ATOM 0 HE1 TRP A 8 -4.719 -4.943 6.771 1.00 35.54 H new ATOM 0 HE3 TRP A 8 -1.234 -6.764 3.102 1.00 44.04 H new ATOM 0 HZ2 TRP A 8 -4.754 -7.743 6.494 1.00 70.00 H new ATOM 0 HZ3 TRP A 8 -1.946 -9.077 3.555 1.00 51.22 H new ATOM 0 HH2 TRP A 8 -3.688 -9.557 5.228 1.00 65.44 H new ATOM 122 N CYS A 9 1.906 -2.795 3.762 1.00 40.41 N ATOM 123 CA CYS A 9 3.000 -2.306 2.930 1.00 52.13 C ATOM 124 C CYS A 9 3.368 -3.329 1.860 1.00 24.03 C ATOM 125 O CYS A 9 3.781 -4.447 2.171 1.00 2.53 O ATOM 126 CB CYS A 9 4.222 -1.989 3.792 1.00 2.14 C ATOM 127 SG CYS A 9 3.841 -1.076 5.306 1.00 71.21 S ATOM 0 H CYS A 9 2.191 -3.444 4.495 1.00 40.41 H new ATOM 0 HA CYS A 9 2.668 -1.393 2.435 1.00 52.13 H new ATOM 0 HB2 CYS A 9 4.717 -2.923 4.058 1.00 2.14 H new ATOM 0 HB3 CYS A 9 4.931 -1.410 3.200 1.00 2.14 H new ATOM 0 HG CYS A 9 4.938 -0.857 5.968 1.00 71.21 H new ATOM 133 N PHE A 10 3.215 -2.940 0.599 1.00 60.01 N ATOM 134 CA PHE A 10 3.529 -3.824 -0.517 1.00 61.33 C ATOM 135 C PHE A 10 4.330 -3.087 -1.587 1.00 13.12 C ATOM 136 O PHE A 10 4.400 -1.857 -1.590 1.00 32.43 O ATOM 137 CB PHE A 10 2.244 -4.389 -1.125 1.00 74.14 C ATOM 138 CG PHE A 10 1.586 -3.461 -2.106 1.00 40.31 C ATOM 139 CD1 PHE A 10 0.990 -2.286 -1.676 1.00 24.03 C ATOM 140 CD2 PHE A 10 1.564 -3.762 -3.458 1.00 60.42 C ATOM 141 CE1 PHE A 10 0.384 -1.431 -2.576 1.00 10.50 C ATOM 142 CE2 PHE A 10 0.959 -2.910 -4.363 1.00 64.43 C ATOM 143 CZ PHE A 10 0.370 -1.742 -3.921 1.00 75.45 C ATOM 0 H PHE A 10 2.875 -2.018 0.324 1.00 60.01 H new ATOM 0 HA PHE A 10 4.135 -4.646 -0.137 1.00 61.33 H new ATOM 0 HB2 PHE A 10 2.471 -5.331 -1.624 1.00 74.14 H new ATOM 0 HB3 PHE A 10 1.541 -4.615 -0.323 1.00 74.14 H new ATOM 0 HD1 PHE A 10 0.999 -2.036 -0.625 1.00 24.03 H new ATOM 0 HD2 PHE A 10 2.025 -4.673 -3.809 1.00 60.42 H new ATOM 0 HE1 PHE A 10 -0.079 -0.519 -2.228 1.00 10.50 H new ATOM 0 HE2 PHE A 10 0.947 -3.158 -5.414 1.00 64.43 H new ATOM 0 HZ PHE A 10 -0.101 -1.073 -4.626 1.00 75.45 H new ATOM 153 N THR A 11 4.934 -3.847 -2.495 1.00 34.21 N ATOM 154 CA THR A 11 5.731 -3.268 -3.569 1.00 11.14 C ATOM 155 C THR A 11 5.307 -3.818 -4.926 1.00 4.41 C ATOM 156 O THR A 11 5.340 -5.027 -5.155 1.00 63.40 O ATOM 157 CB THR A 11 7.233 -3.541 -3.363 1.00 11.41 C ATOM 158 OG1 THR A 11 7.557 -3.474 -1.970 1.00 14.13 O ATOM 159 CG2 THR A 11 8.076 -2.536 -4.133 1.00 52.53 C ATOM 0 H THR A 11 4.886 -4.866 -2.508 1.00 34.21 H new ATOM 0 HA THR A 11 5.558 -2.192 -3.547 1.00 11.14 H new ATOM 0 HB THR A 11 7.453 -4.540 -3.739 1.00 11.41 H new ATOM 0 HG1 THR A 11 8.513 -3.650 -1.848 1.00 14.13 H new ATOM 0 HG21 THR A 11 9.133 -2.749 -3.972 1.00 52.53 H new ATOM 0 HG22 THR A 11 7.849 -2.609 -5.197 1.00 52.53 H new ATOM 0 HG23 THR A 11 7.851 -1.529 -3.783 1.00 52.53 H new ATOM 167 N LEU A 12 4.911 -2.922 -5.824 1.00 34.54 N ATOM 168 CA LEU A 12 4.481 -3.318 -7.161 1.00 21.25 C ATOM 169 C LEU A 12 5.514 -2.913 -8.207 1.00 4.43 C ATOM 170 O LEU A 12 5.855 -1.737 -8.334 1.00 75.32 O ATOM 171 CB LEU A 12 3.128 -2.685 -7.491 1.00 63.42 C ATOM 172 CG LEU A 12 2.539 -3.038 -8.857 1.00 54.43 C ATOM 173 CD1 LEU A 12 2.697 -4.524 -9.140 1.00 15.51 C ATOM 174 CD2 LEU A 12 1.073 -2.633 -8.926 1.00 44.52 C ATOM 0 H LEU A 12 4.879 -1.917 -5.651 1.00 34.54 H new ATOM 0 HA LEU A 12 4.381 -4.403 -7.178 1.00 21.25 H new ATOM 0 HB2 LEU A 12 2.414 -2.980 -6.722 1.00 63.42 H new ATOM 0 HB3 LEU A 12 3.232 -1.602 -7.431 1.00 63.42 H new ATOM 0 HG LEU A 12 3.085 -2.484 -9.621 1.00 54.43 H new ATOM 0 HD11 LEU A 12 2.272 -4.756 -10.117 1.00 15.51 H new ATOM 0 HD12 LEU A 12 3.755 -4.785 -9.134 1.00 15.51 H new ATOM 0 HD13 LEU A 12 2.177 -5.098 -8.373 1.00 15.51 H new ATOM 0 HD21 LEU A 12 0.670 -2.892 -9.905 1.00 44.52 H new ATOM 0 HD22 LEU A 12 0.513 -3.159 -8.153 1.00 44.52 H new ATOM 0 HD23 LEU A 12 0.985 -1.558 -8.770 1.00 44.52 H new ATOM 186 N ASN A 13 6.008 -3.894 -8.955 1.00 24.05 N ATOM 187 CA ASN A 13 7.002 -3.639 -9.991 1.00 52.04 C ATOM 188 C ASN A 13 6.378 -3.745 -11.380 1.00 24.12 C ATOM 189 O ASN A 13 5.623 -4.674 -11.663 1.00 22.03 O ATOM 190 CB ASN A 13 8.165 -4.625 -9.866 1.00 3.43 C ATOM 191 CG ASN A 13 7.701 -6.068 -9.850 1.00 71.21 C ATOM 192 OD1 ASN A 13 7.416 -6.652 -10.896 1.00 45.21 O ATOM 193 ND2 ASN A 13 7.622 -6.651 -8.660 1.00 31.34 N ATOM 0 H ASN A 13 5.736 -4.873 -8.863 1.00 24.05 H new ATOM 0 HA ASN A 13 7.379 -2.625 -9.857 1.00 52.04 H new ATOM 0 HB2 ASN A 13 8.854 -4.477 -10.698 1.00 3.43 H new ATOM 0 HB3 ASN A 13 8.719 -4.414 -8.951 1.00 3.43 H new ATOM 0 HD21 ASN A 13 7.315 -7.621 -8.587 1.00 31.34 H new ATOM 0 HD22 ASN A 13 7.868 -6.129 -7.819 1.00 31.34 H new ATOM 200 N ASN A 14 6.701 -2.787 -12.242 1.00 43.33 N ATOM 201 CA ASN A 14 6.173 -2.772 -13.602 1.00 22.23 C ATOM 202 C ASN A 14 4.659 -2.959 -13.599 1.00 40.11 C ATOM 203 O ASN A 14 4.127 -3.929 -14.140 1.00 2.31 O ATOM 204 CB ASN A 14 6.832 -3.870 -14.439 1.00 23.32 C ATOM 205 CG ASN A 14 6.881 -3.522 -15.914 1.00 4.21 C ATOM 206 OD1 ASN A 14 5.934 -2.957 -16.462 1.00 23.43 O ATOM 207 ND2 ASN A 14 7.989 -3.858 -16.565 1.00 2.05 N ATOM 0 H ASN A 14 7.326 -2.011 -12.024 1.00 43.33 H new ATOM 0 HA ASN A 14 6.401 -1.802 -14.043 1.00 22.23 H new ATOM 0 HB2 ASN A 14 7.845 -4.042 -14.075 1.00 23.32 H new ATOM 0 HB3 ASN A 14 6.283 -4.803 -14.307 1.00 23.32 H new ATOM 0 HD21 ASN A 14 8.080 -3.649 -17.559 1.00 2.05 H new ATOM 0 HD22 ASN A 14 8.749 -4.325 -16.071 1.00 2.05 H new ATOM 214 N PRO A 15 3.947 -2.008 -12.976 1.00 72.13 N ATOM 215 CA PRO A 15 2.484 -2.044 -12.889 1.00 71.40 C ATOM 216 C PRO A 15 1.816 -1.799 -14.238 1.00 4.22 C ATOM 217 O PRO A 15 2.285 -0.984 -15.035 1.00 34.53 O ATOM 218 CB PRO A 15 2.158 -0.908 -11.916 1.00 63.24 C ATOM 219 CG PRO A 15 3.309 0.031 -12.032 1.00 22.32 C ATOM 220 CD PRO A 15 4.515 -0.824 -12.310 1.00 34.10 C ATOM 0 HA PRO A 15 2.119 -3.019 -12.565 1.00 71.40 H new ATOM 0 HB2 PRO A 15 1.220 -0.419 -12.178 1.00 63.24 H new ATOM 0 HB3 PRO A 15 2.050 -1.278 -10.897 1.00 63.24 H new ATOM 0 HG2 PRO A 15 3.147 0.750 -12.835 1.00 22.32 H new ATOM 0 HG3 PRO A 15 3.440 0.603 -11.114 1.00 22.32 H new ATOM 0 HD2 PRO A 15 5.234 -0.310 -12.948 1.00 34.10 H new ATOM 0 HD3 PRO A 15 5.038 -1.092 -11.392 1.00 34.10 H new ATOM 228 N LEU A 16 0.721 -2.507 -14.488 1.00 15.31 N ATOM 229 CA LEU A 16 -0.012 -2.365 -15.741 1.00 75.02 C ATOM 230 C LEU A 16 -1.001 -1.205 -15.666 1.00 65.41 C ATOM 231 O LEU A 16 -1.657 -0.871 -16.652 1.00 72.42 O ATOM 232 CB LEU A 16 -0.754 -3.662 -16.070 1.00 54.44 C ATOM 233 CG LEU A 16 0.118 -4.847 -16.487 1.00 55.53 C ATOM 234 CD1 LEU A 16 0.248 -5.841 -15.345 1.00 32.55 C ATOM 235 CD2 LEU A 16 -0.458 -5.523 -17.723 1.00 64.20 C ATOM 0 H LEU A 16 0.321 -3.185 -13.840 1.00 15.31 H new ATOM 0 HA LEU A 16 0.707 -2.154 -16.532 1.00 75.02 H new ATOM 0 HB2 LEU A 16 -1.337 -3.955 -15.197 1.00 54.44 H new ATOM 0 HB3 LEU A 16 -1.463 -3.458 -16.873 1.00 54.44 H new ATOM 0 HG LEU A 16 1.113 -4.474 -16.731 1.00 55.53 H new ATOM 0 HD11 LEU A 16 0.872 -6.678 -15.660 1.00 32.55 H new ATOM 0 HD12 LEU A 16 0.706 -5.350 -14.486 1.00 32.55 H new ATOM 0 HD13 LEU A 16 -0.740 -6.209 -15.069 1.00 32.55 H new ATOM 0 HD21 LEU A 16 0.175 -6.364 -18.006 1.00 64.20 H new ATOM 0 HD22 LEU A 16 -1.464 -5.883 -17.506 1.00 64.20 H new ATOM 0 HD23 LEU A 16 -0.498 -4.807 -18.544 1.00 64.20 H new ATOM 247 N SER A 17 -1.099 -0.594 -14.490 1.00 40.20 N ATOM 248 CA SER A 17 -2.008 0.528 -14.286 1.00 20.15 C ATOM 249 C SER A 17 -1.919 1.045 -12.853 1.00 30.11 C ATOM 250 O SER A 17 -1.454 0.356 -11.945 1.00 20.22 O ATOM 251 CB SER A 17 -3.446 0.111 -14.601 1.00 23.21 C ATOM 252 OG SER A 17 -3.638 -1.274 -14.368 1.00 2.32 O ATOM 0 H SER A 17 -0.561 -0.857 -13.664 1.00 40.20 H new ATOM 0 HA SER A 17 -1.713 1.330 -14.963 1.00 20.15 H new ATOM 0 HB2 SER A 17 -4.138 0.686 -13.985 1.00 23.21 H new ATOM 0 HB3 SER A 17 -3.676 0.343 -15.641 1.00 23.21 H new ATOM 0 HG SER A 17 -4.565 -1.515 -14.575 1.00 2.32 H new ATOM 258 N PRO A 18 -2.376 2.289 -12.644 1.00 63.32 N ATOM 259 CA PRO A 18 -2.360 2.927 -11.325 1.00 24.04 C ATOM 260 C PRO A 18 -3.358 2.294 -10.362 1.00 73.41 C ATOM 261 O PRO A 18 -4.368 1.727 -10.783 1.00 12.52 O ATOM 262 CB PRO A 18 -2.752 4.375 -11.626 1.00 54.33 C ATOM 263 CG PRO A 18 -3.539 4.299 -12.889 1.00 41.33 C ATOM 264 CD PRO A 18 -2.943 3.168 -13.680 1.00 74.44 C ATOM 0 HA PRO A 18 -1.391 2.826 -10.836 1.00 24.04 H new ATOM 0 HB2 PRO A 18 -3.343 4.802 -10.816 1.00 54.33 H new ATOM 0 HB3 PRO A 18 -1.872 5.007 -11.745 1.00 54.33 H new ATOM 0 HG2 PRO A 18 -4.593 4.117 -12.681 1.00 41.33 H new ATOM 0 HG3 PRO A 18 -3.480 5.236 -13.443 1.00 41.33 H new ATOM 0 HD2 PRO A 18 -3.697 2.653 -14.275 1.00 74.44 H new ATOM 0 HD3 PRO A 18 -2.177 3.521 -14.371 1.00 74.44 H new ATOM 272 N LEU A 19 -3.071 2.393 -9.069 1.00 21.40 N ATOM 273 CA LEU A 19 -3.945 1.829 -8.046 1.00 1.44 C ATOM 274 C LEU A 19 -5.250 2.614 -7.952 1.00 24.11 C ATOM 275 O LEU A 19 -5.359 3.721 -8.478 1.00 41.31 O ATOM 276 CB LEU A 19 -3.239 1.828 -6.689 1.00 21.24 C ATOM 277 CG LEU A 19 -1.818 1.264 -6.672 1.00 62.40 C ATOM 278 CD1 LEU A 19 -1.263 1.256 -5.256 1.00 41.31 C ATOM 279 CD2 LEU A 19 -1.794 -0.138 -7.264 1.00 25.34 C ATOM 0 H LEU A 19 -2.240 2.858 -8.704 1.00 21.40 H new ATOM 0 HA LEU A 19 -4.179 0.803 -8.328 1.00 1.44 H new ATOM 0 HB2 LEU A 19 -3.206 2.852 -6.318 1.00 21.24 H new ATOM 0 HB3 LEU A 19 -3.845 1.254 -5.987 1.00 21.24 H new ATOM 0 HG LEU A 19 -1.185 1.907 -7.284 1.00 62.40 H new ATOM 0 HD11 LEU A 19 -0.251 0.851 -5.264 1.00 41.31 H new ATOM 0 HD12 LEU A 19 -1.244 2.274 -4.867 1.00 41.31 H new ATOM 0 HD13 LEU A 19 -1.896 0.637 -4.621 1.00 41.31 H new ATOM 0 HD21 LEU A 19 -0.775 -0.524 -7.244 1.00 25.34 H new ATOM 0 HD22 LEU A 19 -2.441 -0.791 -6.679 1.00 25.34 H new ATOM 0 HD23 LEU A 19 -2.149 -0.104 -8.294 1.00 25.34 H new ATOM 291 N SER A 20 -6.236 2.033 -7.277 1.00 32.03 N ATOM 292 CA SER A 20 -7.535 2.677 -7.115 1.00 65.10 C ATOM 293 C SER A 20 -8.180 2.273 -5.793 1.00 13.20 C ATOM 294 O SER A 20 -7.938 1.181 -5.278 1.00 23.11 O ATOM 295 CB SER A 20 -8.457 2.311 -8.279 1.00 54.01 C ATOM 296 OG SER A 20 -8.674 0.912 -8.338 1.00 34.14 O ATOM 0 H SER A 20 -6.161 1.118 -6.833 1.00 32.03 H new ATOM 0 HA SER A 20 -7.381 3.756 -7.109 1.00 65.10 H new ATOM 0 HB2 SER A 20 -9.411 2.826 -8.167 1.00 54.01 H new ATOM 0 HB3 SER A 20 -8.018 2.654 -9.216 1.00 54.01 H new ATOM 0 HG SER A 20 -9.268 0.704 -9.089 1.00 34.14 H new ATOM 302 N LEU A 21 -9.004 3.162 -5.249 1.00 3.15 N ATOM 303 CA LEU A 21 -9.686 2.900 -3.986 1.00 1.11 C ATOM 304 C LEU A 21 -10.403 1.555 -4.024 1.00 34.45 C ATOM 305 O LEU A 21 -10.801 1.081 -5.088 1.00 71.24 O ATOM 306 CB LEU A 21 -10.687 4.016 -3.683 1.00 41.52 C ATOM 307 CG LEU A 21 -11.651 3.758 -2.525 1.00 72.41 C ATOM 308 CD1 LEU A 21 -10.896 3.687 -1.207 1.00 43.01 C ATOM 309 CD2 LEU A 21 -12.722 4.837 -2.471 1.00 40.40 C ATOM 0 H LEU A 21 -9.216 4.070 -5.662 1.00 3.15 H new ATOM 0 HA LEU A 21 -8.936 2.869 -3.196 1.00 1.11 H new ATOM 0 HB2 LEU A 21 -10.130 4.928 -3.469 1.00 41.52 H new ATOM 0 HB3 LEU A 21 -11.273 4.204 -4.582 1.00 41.52 H new ATOM 0 HG LEU A 21 -12.140 2.798 -2.692 1.00 72.41 H new ATOM 0 HD11 LEU A 21 -11.599 3.503 -0.395 1.00 43.01 H new ATOM 0 HD12 LEU A 21 -10.168 2.877 -1.248 1.00 43.01 H new ATOM 0 HD13 LEU A 21 -10.379 4.631 -1.033 1.00 43.01 H new ATOM 0 HD21 LEU A 21 -13.399 4.637 -1.641 1.00 40.40 H new ATOM 0 HD22 LEU A 21 -12.251 5.810 -2.329 1.00 40.40 H new ATOM 0 HD23 LEU A 21 -13.284 4.839 -3.405 1.00 40.40 H new ATOM 321 N HIS A 22 -10.568 0.944 -2.854 1.00 44.31 N ATOM 322 CA HIS A 22 -11.240 -0.346 -2.753 1.00 12.01 C ATOM 323 C HIS A 22 -12.454 -0.255 -1.833 1.00 23.44 C ATOM 324 O HIS A 22 -12.356 0.234 -0.707 1.00 52.12 O ATOM 325 CB HIS A 22 -10.272 -1.410 -2.236 1.00 61.40 C ATOM 326 CG HIS A 22 -10.695 -2.811 -2.556 1.00 60.02 C ATOM 327 ND1 HIS A 22 -10.632 -3.843 -1.644 1.00 64.42 N ATOM 328 CD2 HIS A 22 -11.191 -3.347 -3.696 1.00 33.45 C ATOM 329 CE1 HIS A 22 -11.069 -4.955 -2.209 1.00 41.43 C ATOM 330 NE2 HIS A 22 -11.415 -4.681 -3.454 1.00 52.41 N ATOM 0 H HIS A 22 -10.245 1.322 -1.963 1.00 44.31 H new ATOM 0 HA HIS A 22 -11.581 -0.630 -3.749 1.00 12.01 H new ATOM 0 HB2 HIS A 22 -9.286 -1.230 -2.664 1.00 61.40 H new ATOM 0 HB3 HIS A 22 -10.175 -1.306 -1.155 1.00 61.40 H new ATOM 0 HD2 HIS A 22 -11.376 -2.824 -4.623 1.00 33.45 H new ATOM 0 HE1 HIS A 22 -11.132 -5.923 -1.734 1.00 41.43 H new ATOM 0 HE2 HIS A 22 -11.788 -5.351 -4.127 1.00 52.41 H new ATOM 338 N ASP A 23 -13.595 -0.729 -2.319 1.00 35.21 N ATOM 339 CA ASP A 23 -14.828 -0.702 -1.540 1.00 71.01 C ATOM 340 C ASP A 23 -14.638 -1.401 -0.198 1.00 11.05 C ATOM 341 O ASP A 23 -15.360 -1.130 0.762 1.00 31.50 O ATOM 342 CB ASP A 23 -15.964 -1.367 -2.319 1.00 64.33 C ATOM 343 CG ASP A 23 -16.823 -0.363 -3.061 1.00 12.50 C ATOM 344 OD1 ASP A 23 -16.328 0.234 -4.040 1.00 2.40 O ATOM 345 OD2 ASP A 23 -17.991 -0.174 -2.663 1.00 15.30 O ATOM 0 H ASP A 23 -13.693 -1.137 -3.249 1.00 35.21 H new ATOM 0 HA ASP A 23 -15.088 0.340 -1.353 1.00 71.01 H new ATOM 0 HB2 ASP A 23 -15.545 -2.078 -3.031 1.00 64.33 H new ATOM 0 HB3 ASP A 23 -16.588 -1.936 -1.630 1.00 64.33 H new ATOM 350 N SER A 24 -13.663 -2.302 -0.138 1.00 5.22 N ATOM 351 CA SER A 24 -13.381 -3.043 1.086 1.00 63.44 C ATOM 352 C SER A 24 -12.477 -2.237 2.014 1.00 70.24 C ATOM 353 O SER A 24 -12.665 -2.231 3.230 1.00 72.33 O ATOM 354 CB SER A 24 -12.724 -4.385 0.754 1.00 3.22 C ATOM 355 OG SER A 24 -13.305 -4.966 -0.400 1.00 35.22 O ATOM 0 H SER A 24 -13.055 -2.537 -0.923 1.00 5.22 H new ATOM 0 HA SER A 24 -14.326 -3.225 1.597 1.00 63.44 H new ATOM 0 HB2 SER A 24 -11.656 -4.240 0.593 1.00 3.22 H new ATOM 0 HB3 SER A 24 -12.830 -5.064 1.600 1.00 3.22 H new ATOM 0 HG SER A 24 -12.983 -5.886 -0.501 1.00 35.22 H new ATOM 361 N MET A 25 -11.495 -1.558 1.430 1.00 53.22 N ATOM 362 CA MET A 25 -10.562 -0.747 2.204 1.00 55.24 C ATOM 363 C MET A 25 -11.203 0.575 2.614 1.00 3.43 C ATOM 364 O MET A 25 -12.379 0.817 2.345 1.00 15.50 O ATOM 365 CB MET A 25 -9.291 -0.482 1.395 1.00 53.24 C ATOM 366 CG MET A 25 -9.419 0.682 0.425 1.00 14.24 C ATOM 367 SD MET A 25 -7.846 1.133 -0.331 1.00 62.51 S ATOM 368 CE MET A 25 -7.444 -0.380 -1.202 1.00 25.23 C ATOM 0 H MET A 25 -11.325 -1.553 0.424 1.00 53.22 H new ATOM 0 HA MET A 25 -10.301 -1.299 3.107 1.00 55.24 H new ATOM 0 HB2 MET A 25 -8.468 -0.283 2.082 1.00 53.24 H new ATOM 0 HB3 MET A 25 -9.031 -1.382 0.838 1.00 53.24 H new ATOM 0 HG2 MET A 25 -10.132 0.421 -0.357 1.00 14.24 H new ATOM 0 HG3 MET A 25 -9.825 1.546 0.952 1.00 14.24 H new ATOM 0 HE1 MET A 25 -6.361 -0.498 -1.245 1.00 25.23 H new ATOM 0 HE2 MET A 25 -7.881 -1.229 -0.677 1.00 25.23 H new ATOM 0 HE3 MET A 25 -7.845 -0.334 -2.215 1.00 25.23 H new ATOM 378 N LYS A 26 -10.421 1.428 3.268 1.00 51.31 N ATOM 379 CA LYS A 26 -10.911 2.727 3.715 1.00 23.24 C ATOM 380 C LYS A 26 -10.043 3.854 3.166 1.00 43.40 C ATOM 381 O LYS A 26 -10.549 4.907 2.778 1.00 42.53 O ATOM 382 CB LYS A 26 -10.935 2.786 5.244 1.00 11.34 C ATOM 383 CG LYS A 26 -12.324 2.992 5.823 1.00 53.21 C ATOM 384 CD LYS A 26 -12.427 4.310 6.572 1.00 3.12 C ATOM 385 CE LYS A 26 -13.615 4.321 7.522 1.00 62.43 C ATOM 386 NZ LYS A 26 -13.418 5.277 8.646 1.00 23.12 N ATOM 0 H LYS A 26 -9.445 1.243 3.500 1.00 51.31 H new ATOM 0 HA LYS A 26 -11.925 2.856 3.336 1.00 23.24 H new ATOM 0 HB2 LYS A 26 -10.518 1.861 5.642 1.00 11.34 H new ATOM 0 HB3 LYS A 26 -10.287 3.597 5.578 1.00 11.34 H new ATOM 0 HG2 LYS A 26 -13.061 2.971 5.020 1.00 53.21 H new ATOM 0 HG3 LYS A 26 -12.564 2.170 6.497 1.00 53.21 H new ATOM 0 HD2 LYS A 26 -11.509 4.483 7.134 1.00 3.12 H new ATOM 0 HD3 LYS A 26 -12.523 5.128 5.859 1.00 3.12 H new ATOM 0 HE2 LYS A 26 -14.517 4.588 6.972 1.00 62.43 H new ATOM 0 HE3 LYS A 26 -13.770 3.319 7.921 1.00 62.43 H new ATOM 0 HZ1 LYS A 26 -14.133 5.101 9.381 1.00 23.12 H new ATOM 0 HZ2 LYS A 26 -12.468 5.148 9.049 1.00 23.12 H new ATOM 0 HZ3 LYS A 26 -13.515 6.251 8.294 1.00 23.12 H new ATOM 400 N TYR A 27 -8.735 3.626 3.135 1.00 45.21 N ATOM 401 CA TYR A 27 -7.796 4.623 2.634 1.00 54.45 C ATOM 402 C TYR A 27 -6.767 3.985 1.706 1.00 4.04 C ATOM 403 O TYR A 27 -6.423 2.811 1.855 1.00 51.54 O ATOM 404 CB TYR A 27 -7.089 5.319 3.797 1.00 10.45 C ATOM 405 CG TYR A 27 -6.712 6.755 3.506 1.00 35.52 C ATOM 406 CD1 TYR A 27 -7.689 7.725 3.319 1.00 51.04 C ATOM 407 CD2 TYR A 27 -5.381 7.140 3.418 1.00 64.14 C ATOM 408 CE1 TYR A 27 -7.350 9.037 3.052 1.00 40.44 C ATOM 409 CE2 TYR A 27 -5.032 8.450 3.152 1.00 12.15 C ATOM 410 CZ TYR A 27 -6.020 9.395 2.970 1.00 13.00 C ATOM 411 OH TYR A 27 -5.677 10.701 2.704 1.00 34.13 O ATOM 0 H TYR A 27 -8.300 2.759 3.451 1.00 45.21 H new ATOM 0 HA TYR A 27 -8.360 5.363 2.066 1.00 54.45 H new ATOM 0 HB2 TYR A 27 -7.737 5.293 4.673 1.00 10.45 H new ATOM 0 HB3 TYR A 27 -6.188 4.760 4.050 1.00 10.45 H new ATOM 0 HD1 TYR A 27 -8.731 7.448 3.384 1.00 51.04 H new ATOM 0 HD2 TYR A 27 -4.605 6.403 3.560 1.00 64.14 H new ATOM 0 HE1 TYR A 27 -8.122 9.779 2.908 1.00 40.44 H new ATOM 0 HE2 TYR A 27 -3.992 8.732 3.087 1.00 12.15 H new ATOM 0 HH TYR A 27 -5.328 11.120 3.518 1.00 34.13 H new ATOM 421 N LEU A 28 -6.277 4.766 0.750 1.00 40.20 N ATOM 422 CA LEU A 28 -5.285 4.279 -0.203 1.00 12.33 C ATOM 423 C LEU A 28 -4.101 5.237 -0.293 1.00 73.33 C ATOM 424 O LEU A 28 -4.273 6.432 -0.531 1.00 41.34 O ATOM 425 CB LEU A 28 -5.919 4.102 -1.583 1.00 54.24 C ATOM 426 CG LEU A 28 -4.948 4.007 -2.761 1.00 13.12 C ATOM 427 CD1 LEU A 28 -3.856 2.989 -2.471 1.00 52.21 C ATOM 428 CD2 LEU A 28 -5.692 3.645 -4.038 1.00 34.12 C ATOM 0 H LEU A 28 -6.550 5.739 0.614 1.00 40.20 H new ATOM 0 HA LEU A 28 -4.922 3.314 0.149 1.00 12.33 H new ATOM 0 HB2 LEU A 28 -6.529 3.199 -1.567 1.00 54.24 H new ATOM 0 HB3 LEU A 28 -6.594 4.939 -1.761 1.00 54.24 H new ATOM 0 HG LEU A 28 -4.480 4.981 -2.901 1.00 13.12 H new ATOM 0 HD11 LEU A 28 -3.174 2.935 -3.320 1.00 52.21 H new ATOM 0 HD12 LEU A 28 -3.304 3.291 -1.581 1.00 52.21 H new ATOM 0 HD13 LEU A 28 -4.306 2.010 -2.304 1.00 52.21 H new ATOM 0 HD21 LEU A 28 -4.985 3.582 -4.865 1.00 34.12 H new ATOM 0 HD22 LEU A 28 -6.188 2.683 -3.910 1.00 34.12 H new ATOM 0 HD23 LEU A 28 -6.437 4.411 -4.255 1.00 34.12 H new ATOM 440 N VAL A 29 -2.899 4.703 -0.104 1.00 21.52 N ATOM 441 CA VAL A 29 -1.686 5.508 -0.167 1.00 44.55 C ATOM 442 C VAL A 29 -0.576 4.774 -0.912 1.00 32.13 C ATOM 443 O VAL A 29 -0.179 3.674 -0.527 1.00 22.04 O ATOM 444 CB VAL A 29 -1.185 5.881 1.241 1.00 43.04 C ATOM 445 CG1 VAL A 29 0.106 6.681 1.154 1.00 22.11 C ATOM 446 CG2 VAL A 29 -2.252 6.656 1.998 1.00 53.54 C ATOM 0 H VAL A 29 -2.739 3.715 0.094 1.00 21.52 H new ATOM 0 HA VAL A 29 -1.940 6.420 -0.707 1.00 44.55 H new ATOM 0 HB VAL A 29 -0.978 4.962 1.789 1.00 43.04 H new ATOM 0 HG11 VAL A 29 0.445 6.935 2.158 1.00 22.11 H new ATOM 0 HG12 VAL A 29 0.870 6.086 0.653 1.00 22.11 H new ATOM 0 HG13 VAL A 29 -0.070 7.596 0.588 1.00 22.11 H new ATOM 0 HG21 VAL A 29 -1.881 6.911 2.991 1.00 53.54 H new ATOM 0 HG22 VAL A 29 -2.492 7.570 1.454 1.00 53.54 H new ATOM 0 HG23 VAL A 29 -3.149 6.043 2.092 1.00 53.54 H new ATOM 456 N TYR A 30 -0.080 5.389 -1.979 1.00 42.02 N ATOM 457 CA TYR A 30 0.983 4.793 -2.779 1.00 62.25 C ATOM 458 C TYR A 30 1.804 5.869 -3.483 1.00 25.01 C ATOM 459 O TYR A 30 1.317 6.970 -3.737 1.00 35.15 O ATOM 460 CB TYR A 30 0.394 3.829 -3.811 1.00 42.22 C ATOM 461 CG TYR A 30 -0.140 4.518 -5.047 1.00 35.44 C ATOM 462 CD1 TYR A 30 -1.420 5.058 -5.066 1.00 73.11 C ATOM 463 CD2 TYR A 30 0.635 4.628 -6.194 1.00 50.54 C ATOM 464 CE1 TYR A 30 -1.913 5.687 -6.193 1.00 61.00 C ATOM 465 CE2 TYR A 30 0.151 5.257 -7.325 1.00 40.14 C ATOM 466 CZ TYR A 30 -1.124 5.784 -7.320 1.00 5.31 C ATOM 467 OH TYR A 30 -1.610 6.411 -8.444 1.00 11.40 O ATOM 0 H TYR A 30 -0.397 6.300 -2.310 1.00 42.02 H new ATOM 0 HA TYR A 30 1.641 4.240 -2.108 1.00 62.25 H new ATOM 0 HB2 TYR A 30 1.161 3.113 -4.107 1.00 42.22 H new ATOM 0 HB3 TYR A 30 -0.411 3.260 -3.346 1.00 42.22 H new ATOM 0 HD1 TYR A 30 -2.040 4.985 -4.185 1.00 73.11 H new ATOM 0 HD2 TYR A 30 1.633 4.215 -6.202 1.00 50.54 H new ATOM 0 HE1 TYR A 30 -2.911 6.100 -6.191 1.00 61.00 H new ATOM 0 HE2 TYR A 30 0.767 5.336 -8.208 1.00 40.14 H new ATOM 0 HH TYR A 30 -0.929 6.395 -9.148 1.00 11.40 H new ATOM 477 N GLN A 31 3.054 5.541 -3.795 1.00 70.23 N ATOM 478 CA GLN A 31 3.944 6.479 -4.469 1.00 72.35 C ATOM 479 C GLN A 31 4.722 5.786 -5.584 1.00 13.24 C ATOM 480 O GLN A 31 4.871 4.564 -5.584 1.00 64.25 O ATOM 481 CB GLN A 31 4.915 7.104 -3.466 1.00 55.34 C ATOM 482 CG GLN A 31 4.256 7.520 -2.161 1.00 1.22 C ATOM 483 CD GLN A 31 5.112 8.477 -1.354 1.00 61.42 C ATOM 484 OE1 GLN A 31 5.312 8.288 -0.154 1.00 32.31 O ATOM 485 NE2 GLN A 31 5.624 9.511 -2.011 1.00 13.23 N ATOM 0 H GLN A 31 3.473 4.633 -3.592 1.00 70.23 H new ATOM 0 HA GLN A 31 3.333 7.266 -4.912 1.00 72.35 H new ATOM 0 HB2 GLN A 31 5.711 6.391 -3.251 1.00 55.34 H new ATOM 0 HB3 GLN A 31 5.383 7.977 -3.921 1.00 55.34 H new ATOM 0 HG2 GLN A 31 3.297 7.990 -2.377 1.00 1.22 H new ATOM 0 HG3 GLN A 31 4.049 6.632 -1.564 1.00 1.22 H new ATOM 0 HE21 GLN A 31 5.432 9.629 -3.006 1.00 13.23 H new ATOM 0 HE22 GLN A 31 6.209 10.188 -1.521 1.00 13.23 H new ATOM 494 N THR A 32 5.216 6.575 -6.533 1.00 14.32 N ATOM 495 CA THR A 32 5.977 6.038 -7.654 1.00 13.33 C ATOM 496 C THR A 32 7.474 6.242 -7.450 1.00 34.13 C ATOM 497 O THR A 32 7.925 7.352 -7.169 1.00 62.41 O ATOM 498 CB THR A 32 5.557 6.694 -8.983 1.00 4.00 C ATOM 499 OG1 THR A 32 4.187 6.391 -9.268 1.00 2.21 O ATOM 500 CG2 THR A 32 6.437 6.211 -10.126 1.00 62.40 C ATOM 0 H THR A 32 5.103 7.589 -6.547 1.00 14.32 H new ATOM 0 HA THR A 32 5.762 4.970 -7.700 1.00 13.33 H new ATOM 0 HB THR A 32 5.676 7.773 -8.884 1.00 4.00 H new ATOM 0 HG1 THR A 32 4.046 5.423 -9.207 1.00 2.21 H new ATOM 0 HG21 THR A 32 6.122 6.688 -11.054 1.00 62.40 H new ATOM 0 HG22 THR A 32 7.476 6.469 -9.920 1.00 62.40 H new ATOM 0 HG23 THR A 32 6.345 5.129 -10.224 1.00 62.40 H new ATOM 508 N GLU A 33 8.238 5.164 -7.593 1.00 71.33 N ATOM 509 CA GLU A 33 9.685 5.226 -7.424 1.00 71.13 C ATOM 510 C GLU A 33 10.401 4.797 -8.702 1.00 32.42 C ATOM 511 O GLU A 33 9.812 4.148 -9.567 1.00 3.34 O ATOM 512 CB GLU A 33 10.123 4.338 -6.258 1.00 61.30 C ATOM 513 CG GLU A 33 10.189 5.069 -4.928 1.00 25.33 C ATOM 514 CD GLU A 33 9.401 4.369 -3.838 1.00 13.43 C ATOM 515 OE1 GLU A 33 8.159 4.499 -3.827 1.00 71.42 O ATOM 516 OE2 GLU A 33 10.026 3.692 -2.995 1.00 44.30 O ATOM 0 H GLU A 33 7.879 4.238 -7.825 1.00 71.33 H new ATOM 0 HA GLU A 33 9.956 6.259 -7.206 1.00 71.13 H new ATOM 0 HB2 GLU A 33 9.430 3.501 -6.169 1.00 61.30 H new ATOM 0 HB3 GLU A 33 11.104 3.917 -6.481 1.00 61.30 H new ATOM 0 HG2 GLU A 33 11.230 5.158 -4.618 1.00 25.33 H new ATOM 0 HG3 GLU A 33 9.806 6.082 -5.055 1.00 25.33 H new ATOM 523 N GLN A 34 11.673 5.164 -8.812 1.00 24.11 N ATOM 524 CA GLN A 34 12.469 4.818 -9.984 1.00 1.03 C ATOM 525 C GLN A 34 13.409 3.656 -9.680 1.00 3.33 C ATOM 526 O GLN A 34 14.149 3.684 -8.697 1.00 34.32 O ATOM 527 CB GLN A 34 13.273 6.030 -10.456 1.00 44.42 C ATOM 528 CG GLN A 34 13.036 6.387 -11.915 1.00 11.24 C ATOM 529 CD GLN A 34 14.282 6.233 -12.764 1.00 4.34 C ATOM 530 OE1 GLN A 34 14.252 5.609 -13.824 1.00 71.33 O ATOM 531 NE2 GLN A 34 15.389 6.804 -12.301 1.00 34.35 N ATOM 0 H GLN A 34 12.175 5.701 -8.104 1.00 24.11 H new ATOM 0 HA GLN A 34 11.787 4.512 -10.778 1.00 1.03 H new ATOM 0 HB2 GLN A 34 13.019 6.889 -9.835 1.00 44.42 H new ATOM 0 HB3 GLN A 34 14.334 5.832 -10.307 1.00 44.42 H new ATOM 0 HG2 GLN A 34 12.247 5.752 -12.317 1.00 11.24 H new ATOM 0 HG3 GLN A 34 12.682 7.416 -11.980 1.00 11.24 H new ATOM 0 HE21 GLN A 34 15.369 7.312 -11.417 1.00 34.35 H new ATOM 0 HE22 GLN A 34 16.258 6.734 -12.830 1.00 34.35 H new ATOM 540 N GLY A 35 13.375 2.635 -10.531 1.00 0.23 N ATOM 541 CA GLY A 35 14.228 1.478 -10.335 1.00 61.41 C ATOM 542 C GLY A 35 13.615 0.206 -10.886 1.00 71.43 C ATOM 543 O GLY A 35 12.421 0.162 -11.179 1.00 35.31 O ATOM 0 H GLY A 35 12.772 2.589 -11.352 1.00 0.23 H new ATOM 0 HA2 GLY A 35 15.189 1.653 -10.818 1.00 61.41 H new ATOM 0 HA3 GLY A 35 14.424 1.351 -9.270 1.00 61.41 H new ATOM 547 N GLU A 36 14.435 -0.831 -11.030 1.00 33.14 N ATOM 548 CA GLU A 36 13.965 -2.109 -11.552 1.00 0.10 C ATOM 549 C GLU A 36 13.477 -1.962 -12.990 1.00 73.33 C ATOM 550 O GLU A 36 12.530 -1.225 -13.263 1.00 73.54 O ATOM 551 CB GLU A 36 12.841 -2.662 -10.674 1.00 15.21 C ATOM 552 CG GLU A 36 11.800 -3.456 -11.446 1.00 10.33 C ATOM 553 CD GLU A 36 12.402 -4.618 -12.211 1.00 44.32 C ATOM 554 OE1 GLU A 36 13.576 -4.956 -11.949 1.00 12.34 O ATOM 555 OE2 GLU A 36 11.702 -5.189 -13.072 1.00 55.35 O ATOM 0 H GLU A 36 15.427 -0.811 -10.793 1.00 33.14 H new ATOM 0 HA GLU A 36 14.802 -2.807 -11.540 1.00 0.10 H new ATOM 0 HB2 GLU A 36 13.274 -3.300 -9.903 1.00 15.21 H new ATOM 0 HB3 GLU A 36 12.349 -1.834 -10.164 1.00 15.21 H new ATOM 0 HG2 GLU A 36 11.048 -3.833 -10.753 1.00 10.33 H new ATOM 0 HG3 GLU A 36 11.287 -2.794 -12.143 1.00 10.33 H new ATOM 562 N ALA A 37 14.131 -2.669 -13.906 1.00 21.20 N ATOM 563 CA ALA A 37 13.763 -2.620 -15.316 1.00 4.34 C ATOM 564 C ALA A 37 13.663 -1.179 -15.806 1.00 71.45 C ATOM 565 O ALA A 37 14.061 -0.247 -15.110 1.00 45.22 O ATOM 566 CB ALA A 37 12.448 -3.350 -15.544 1.00 24.10 C ATOM 0 H ALA A 37 14.918 -3.283 -13.697 1.00 21.20 H new ATOM 0 HA ALA A 37 14.545 -3.118 -15.889 1.00 4.34 H new ATOM 0 HB1 ALA A 37 12.186 -3.305 -16.601 1.00 24.10 H new ATOM 0 HB2 ALA A 37 12.552 -4.391 -15.240 1.00 24.10 H new ATOM 0 HB3 ALA A 37 11.662 -2.877 -14.955 1.00 24.10 H new ATOM 572 N GLY A 38 13.128 -1.005 -17.011 1.00 71.53 N ATOM 573 CA GLY A 38 12.986 0.324 -17.575 1.00 11.31 C ATOM 574 C GLY A 38 11.652 0.959 -17.234 1.00 3.12 C ATOM 575 O GLY A 38 11.243 1.934 -17.862 1.00 50.31 O ATOM 0 H GLY A 38 12.790 -1.761 -17.606 1.00 71.53 H new ATOM 0 HA2 GLY A 38 13.792 0.959 -17.208 1.00 11.31 H new ATOM 0 HA3 GLY A 38 13.092 0.269 -18.658 1.00 11.31 H new ATOM 579 N ASN A 39 10.972 0.404 -16.236 1.00 61.42 N ATOM 580 CA ASN A 39 9.675 0.921 -15.814 1.00 64.42 C ATOM 581 C ASN A 39 9.732 1.420 -14.374 1.00 15.32 C ATOM 582 O ASN A 39 10.798 1.451 -13.758 1.00 55.32 O ATOM 583 CB ASN A 39 8.603 -0.162 -15.949 1.00 30.43 C ATOM 584 CG ASN A 39 8.197 -0.398 -17.391 1.00 12.03 C ATOM 585 OD1 ASN A 39 7.142 0.058 -17.832 1.00 72.54 O ATOM 586 ND2 ASN A 39 9.035 -1.113 -18.132 1.00 31.20 N ATOM 0 H ASN A 39 11.297 -0.404 -15.705 1.00 61.42 H new ATOM 0 HA ASN A 39 9.417 1.760 -16.461 1.00 64.42 H new ATOM 0 HB2 ASN A 39 8.976 -1.093 -15.522 1.00 30.43 H new ATOM 0 HB3 ASN A 39 7.725 0.125 -15.370 1.00 30.43 H new ATOM 0 HD21 ASN A 39 8.815 -1.304 -19.110 1.00 31.20 H new ATOM 0 HD22 ASN A 39 9.899 -1.471 -17.724 1.00 31.20 H new ATOM 593 N ILE A 40 8.577 1.810 -13.843 1.00 64.31 N ATOM 594 CA ILE A 40 8.495 2.306 -12.475 1.00 41.22 C ATOM 595 C ILE A 40 7.786 1.306 -11.569 1.00 31.41 C ATOM 596 O ILE A 40 7.160 0.357 -12.043 1.00 55.32 O ATOM 597 CB ILE A 40 7.755 3.655 -12.409 1.00 42.35 C ATOM 598 CG1 ILE A 40 6.557 3.651 -13.361 1.00 12.43 C ATOM 599 CG2 ILE A 40 8.703 4.796 -12.748 1.00 1.34 C ATOM 600 CD1 ILE A 40 5.678 4.876 -13.231 1.00 23.01 C ATOM 0 H ILE A 40 7.686 1.792 -14.340 1.00 64.31 H new ATOM 0 HA ILE A 40 9.519 2.445 -12.128 1.00 41.22 H new ATOM 0 HB ILE A 40 7.388 3.802 -11.393 1.00 42.35 H new ATOM 0 HG12 ILE A 40 6.919 3.580 -14.387 1.00 12.43 H new ATOM 0 HG13 ILE A 40 5.956 2.761 -13.173 1.00 12.43 H new ATOM 0 HG21 ILE A 40 8.166 5.743 -12.697 1.00 1.34 H new ATOM 0 HG22 ILE A 40 9.527 4.808 -12.035 1.00 1.34 H new ATOM 0 HG23 ILE A 40 9.096 4.656 -13.755 1.00 1.34 H new ATOM 0 HD11 ILE A 40 4.849 4.805 -13.935 1.00 23.01 H new ATOM 0 HD12 ILE A 40 5.287 4.937 -12.215 1.00 23.01 H new ATOM 0 HD13 ILE A 40 6.264 5.769 -13.448 1.00 23.01 H new ATOM 612 N HIS A 41 7.887 1.524 -10.262 1.00 1.24 N ATOM 613 CA HIS A 41 7.253 0.643 -9.288 1.00 21.33 C ATOM 614 C HIS A 41 6.493 1.449 -8.239 1.00 40.10 C ATOM 615 O HIS A 41 6.916 2.539 -7.852 1.00 60.24 O ATOM 616 CB HIS A 41 8.301 -0.239 -8.609 1.00 21.53 C ATOM 617 CG HIS A 41 9.619 0.443 -8.408 1.00 22.13 C ATOM 618 ND1 HIS A 41 9.912 1.715 -8.049 1.00 2.33 N flip ATOM 619 CD2 HIS A 41 10.830 -0.194 -8.580 1.00 20.33 C flip ATOM 620 CE1 HIS A 41 11.280 1.822 -8.010 1.00 51.45 C flip ATOM 621 NE2 HIS A 41 11.811 0.656 -8.333 1.00 25.15 N flip ATOM 0 H HIS A 41 8.402 2.303 -9.853 1.00 1.24 H new ATOM 0 HA HIS A 41 6.542 0.009 -9.818 1.00 21.33 H new ATOM 0 HB2 HIS A 41 7.918 -0.564 -7.642 1.00 21.53 H new ATOM 0 HB3 HIS A 41 8.453 -1.136 -9.209 1.00 21.53 H new ATOM 0 HD2 HIS A 41 10.957 -1.226 -8.871 1.00 20.33 H new ATOM 0 HE1 HIS A 41 11.833 2.715 -7.756 1.00 51.45 H new ATOM 0 HE2 HIS A 41 12.808 0.448 -8.383 1.00 25.15 H new ATOM 629 N PHE A 42 5.369 0.907 -7.783 1.00 73.21 N ATOM 630 CA PHE A 42 4.549 1.577 -6.780 1.00 74.45 C ATOM 631 C PHE A 42 4.870 1.059 -5.381 1.00 53.33 C ATOM 632 O PHE A 42 5.054 -0.141 -5.180 1.00 2.41 O ATOM 633 CB PHE A 42 3.063 1.370 -7.085 1.00 24.34 C ATOM 634 CG PHE A 42 2.640 1.927 -8.414 1.00 4.03 C ATOM 635 CD1 PHE A 42 3.251 3.058 -8.932 1.00 32.23 C ATOM 636 CD2 PHE A 42 1.632 1.320 -9.145 1.00 11.21 C ATOM 637 CE1 PHE A 42 2.864 3.573 -10.155 1.00 2.14 C ATOM 638 CE2 PHE A 42 1.241 1.831 -10.368 1.00 64.44 C ATOM 639 CZ PHE A 42 1.857 2.959 -10.873 1.00 44.14 C ATOM 0 H PHE A 42 5.005 0.006 -8.092 1.00 73.21 H new ATOM 0 HA PHE A 42 4.775 2.643 -6.814 1.00 74.45 H new ATOM 0 HB2 PHE A 42 2.840 0.303 -7.060 1.00 24.34 H new ATOM 0 HB3 PHE A 42 2.470 1.838 -6.299 1.00 24.34 H new ATOM 0 HD1 PHE A 42 4.038 3.542 -8.374 1.00 32.23 H new ATOM 0 HD2 PHE A 42 1.146 0.438 -8.755 1.00 11.21 H new ATOM 0 HE1 PHE A 42 3.349 4.454 -10.548 1.00 2.14 H new ATOM 0 HE2 PHE A 42 0.454 1.348 -10.929 1.00 64.44 H new ATOM 0 HZ PHE A 42 1.552 3.360 -11.828 1.00 44.14 H new ATOM 649 N GLN A 43 4.935 1.974 -4.419 1.00 51.03 N ATOM 650 CA GLN A 43 5.235 1.611 -3.039 1.00 72.44 C ATOM 651 C GLN A 43 4.474 2.503 -2.064 1.00 30.41 C ATOM 652 O GLN A 43 4.400 3.717 -2.246 1.00 3.13 O ATOM 653 CB GLN A 43 6.738 1.715 -2.778 1.00 23.54 C ATOM 654 CG GLN A 43 7.422 0.367 -2.615 1.00 61.41 C ATOM 655 CD GLN A 43 8.818 0.346 -3.205 1.00 63.34 C ATOM 656 OE1 GLN A 43 9.808 0.215 -2.484 1.00 52.41 O ATOM 657 NE2 GLN A 43 8.906 0.474 -4.524 1.00 72.12 N ATOM 0 H GLN A 43 4.784 2.971 -4.570 1.00 51.03 H new ATOM 0 HA GLN A 43 4.917 0.580 -2.883 1.00 72.44 H new ATOM 0 HB2 GLN A 43 7.205 2.253 -3.603 1.00 23.54 H new ATOM 0 HB3 GLN A 43 6.902 2.307 -1.878 1.00 23.54 H new ATOM 0 HG2 GLN A 43 7.476 0.117 -1.555 1.00 61.41 H new ATOM 0 HG3 GLN A 43 6.818 -0.403 -3.094 1.00 61.41 H new ATOM 0 HE21 GLN A 43 8.060 0.580 -5.084 1.00 72.12 H new ATOM 0 HE22 GLN A 43 9.820 0.466 -4.977 1.00 72.12 H new ATOM 666 N GLY A 44 3.909 1.891 -1.028 1.00 35.25 N ATOM 667 CA GLY A 44 3.160 2.645 -0.039 1.00 70.20 C ATOM 668 C GLY A 44 2.442 1.750 0.951 1.00 32.41 C ATOM 669 O GLY A 44 2.736 0.558 1.048 1.00 74.23 O ATOM 0 H GLY A 44 3.956 0.887 -0.856 1.00 35.25 H new ATOM 0 HA2 GLY A 44 3.839 3.306 0.500 1.00 70.20 H new ATOM 0 HA3 GLY A 44 2.432 3.279 -0.545 1.00 70.20 H new ATOM 673 N TYR A 45 1.499 2.324 1.690 1.00 41.12 N ATOM 674 CA TYR A 45 0.740 1.571 2.681 1.00 53.02 C ATOM 675 C TYR A 45 -0.758 1.664 2.405 1.00 30.41 C ATOM 676 O TYR A 45 -1.258 2.703 1.974 1.00 2.21 O ATOM 677 CB TYR A 45 1.043 2.088 4.088 1.00 45.42 C ATOM 678 CG TYR A 45 0.985 3.595 4.205 1.00 63.32 C ATOM 679 CD1 TYR A 45 2.074 4.381 3.850 1.00 2.55 C ATOM 680 CD2 TYR A 45 -0.159 4.231 4.669 1.00 54.31 C ATOM 681 CE1 TYR A 45 2.026 5.758 3.957 1.00 74.14 C ATOM 682 CE2 TYR A 45 -0.217 5.607 4.777 1.00 55.32 C ATOM 683 CZ TYR A 45 0.878 6.366 4.420 1.00 54.21 C ATOM 684 OH TYR A 45 0.825 7.737 4.526 1.00 53.13 O ATOM 0 H TYR A 45 1.242 3.309 1.621 1.00 41.12 H new ATOM 0 HA TYR A 45 1.040 0.525 2.613 1.00 53.02 H new ATOM 0 HB2 TYR A 45 0.332 1.650 4.788 1.00 45.42 H new ATOM 0 HB3 TYR A 45 2.034 1.747 4.386 1.00 45.42 H new ATOM 0 HD1 TYR A 45 2.973 3.908 3.484 1.00 2.55 H new ATOM 0 HD2 TYR A 45 -1.018 3.640 4.950 1.00 54.31 H new ATOM 0 HE1 TYR A 45 2.883 6.355 3.680 1.00 74.14 H new ATOM 0 HE2 TYR A 45 -1.115 6.086 5.139 1.00 55.32 H new ATOM 0 HH TYR A 45 -0.054 8.005 4.867 1.00 53.13 H new ATOM 694 N ILE A 46 -1.468 0.569 2.658 1.00 51.44 N ATOM 695 CA ILE A 46 -2.909 0.527 2.439 1.00 65.42 C ATOM 696 C ILE A 46 -3.624 -0.128 3.616 1.00 52.33 C ATOM 697 O ILE A 46 -3.274 -1.232 4.031 1.00 2.42 O ATOM 698 CB ILE A 46 -3.260 -0.239 1.149 1.00 4.42 C ATOM 699 CG1 ILE A 46 -2.532 0.376 -0.048 1.00 60.44 C ATOM 700 CG2 ILE A 46 -4.764 -0.232 0.922 1.00 0.02 C ATOM 701 CD1 ILE A 46 -2.648 -0.447 -1.313 1.00 13.42 C ATOM 0 H ILE A 46 -1.069 -0.300 3.014 1.00 51.44 H new ATOM 0 HA ILE A 46 -3.244 1.560 2.342 1.00 65.42 H new ATOM 0 HB ILE A 46 -2.934 -1.273 1.257 1.00 4.42 H new ATOM 0 HG12 ILE A 46 -2.933 1.372 -0.234 1.00 60.44 H new ATOM 0 HG13 ILE A 46 -1.478 0.498 0.201 1.00 60.44 H new ATOM 0 HG21 ILE A 46 -4.996 -0.777 0.007 1.00 0.02 H new ATOM 0 HG22 ILE A 46 -5.262 -0.710 1.766 1.00 0.02 H new ATOM 0 HG23 ILE A 46 -5.113 0.796 0.830 1.00 0.02 H new ATOM 0 HD11 ILE A 46 -2.109 0.049 -2.120 1.00 13.42 H new ATOM 0 HD12 ILE A 46 -2.221 -1.436 -1.144 1.00 13.42 H new ATOM 0 HD13 ILE A 46 -3.698 -0.547 -1.587 1.00 13.42 H new ATOM 713 N GLU A 47 -4.630 0.561 4.147 1.00 63.11 N ATOM 714 CA GLU A 47 -5.395 0.045 5.276 1.00 55.34 C ATOM 715 C GLU A 47 -6.753 -0.480 4.817 1.00 22.44 C ATOM 716 O GLU A 47 -7.575 0.269 4.291 1.00 64.14 O ATOM 717 CB GLU A 47 -5.589 1.137 6.331 1.00 63.45 C ATOM 718 CG GLU A 47 -4.327 1.932 6.622 1.00 71.23 C ATOM 719 CD GLU A 47 -4.019 2.015 8.104 1.00 22.41 C ATOM 720 OE1 GLU A 47 -3.899 0.950 8.746 1.00 2.41 O ATOM 721 OE2 GLU A 47 -3.897 3.145 8.622 1.00 74.31 O ATOM 0 H GLU A 47 -4.933 1.476 3.814 1.00 63.11 H new ATOM 0 HA GLU A 47 -4.834 -0.780 5.716 1.00 55.34 H new ATOM 0 HB2 GLU A 47 -6.370 1.820 5.996 1.00 63.45 H new ATOM 0 HB3 GLU A 47 -5.941 0.679 7.255 1.00 63.45 H new ATOM 0 HG2 GLU A 47 -3.485 1.472 6.105 1.00 71.23 H new ATOM 0 HG3 GLU A 47 -4.436 2.939 6.220 1.00 71.23 H new ATOM 728 N MET A 48 -6.979 -1.774 5.022 1.00 54.12 N ATOM 729 CA MET A 48 -8.237 -2.400 4.630 1.00 21.23 C ATOM 730 C MET A 48 -9.324 -2.129 5.665 1.00 34.41 C ATOM 731 O MET A 48 -9.089 -1.451 6.665 1.00 53.50 O ATOM 732 CB MET A 48 -8.047 -3.908 4.455 1.00 34.22 C ATOM 733 CG MET A 48 -7.102 -4.274 3.322 1.00 33.44 C ATOM 734 SD MET A 48 -7.607 -3.569 1.742 1.00 45.25 S ATOM 735 CE MET A 48 -8.870 -4.734 1.238 1.00 14.14 C ATOM 0 H MET A 48 -6.309 -2.408 5.456 1.00 54.12 H new ATOM 0 HA MET A 48 -8.550 -1.968 3.679 1.00 21.23 H new ATOM 0 HB2 MET A 48 -7.665 -4.328 5.386 1.00 34.22 H new ATOM 0 HB3 MET A 48 -9.017 -4.369 4.271 1.00 34.22 H new ATOM 0 HG2 MET A 48 -6.098 -3.928 3.566 1.00 33.44 H new ATOM 0 HG3 MET A 48 -7.052 -5.359 3.232 1.00 33.44 H new ATOM 0 HE1 MET A 48 -9.027 -4.658 0.162 1.00 14.14 H new ATOM 0 HE2 MET A 48 -8.552 -5.746 1.487 1.00 14.14 H new ATOM 0 HE3 MET A 48 -9.801 -4.508 1.757 1.00 14.14 H new ATOM 745 N LYS A 49 -10.516 -2.664 5.419 1.00 64.03 N ATOM 746 CA LYS A 49 -11.640 -2.481 6.329 1.00 22.40 C ATOM 747 C LYS A 49 -11.241 -2.823 7.761 1.00 34.22 C ATOM 748 O LYS A 49 -11.265 -1.966 8.645 1.00 61.13 O ATOM 749 CB LYS A 49 -12.821 -3.353 5.895 1.00 2.31 C ATOM 750 CG LYS A 49 -14.135 -2.596 5.808 1.00 31.44 C ATOM 751 CD LYS A 49 -15.127 -3.304 4.900 1.00 43.20 C ATOM 752 CE LYS A 49 -15.480 -4.685 5.429 1.00 30.32 C ATOM 753 NZ LYS A 49 -16.921 -4.789 5.792 1.00 44.42 N ATOM 0 H LYS A 49 -10.728 -3.228 4.596 1.00 64.03 H new ATOM 0 HA LYS A 49 -11.938 -1.433 6.294 1.00 22.40 H new ATOM 0 HB2 LYS A 49 -12.599 -3.793 4.923 1.00 2.31 H new ATOM 0 HB3 LYS A 49 -12.932 -4.177 6.600 1.00 2.31 H new ATOM 0 HG2 LYS A 49 -14.563 -2.492 6.805 1.00 31.44 H new ATOM 0 HG3 LYS A 49 -13.952 -1.589 5.433 1.00 31.44 H new ATOM 0 HD2 LYS A 49 -16.033 -2.705 4.812 1.00 43.20 H new ATOM 0 HD3 LYS A 49 -14.706 -3.394 3.899 1.00 43.20 H new ATOM 0 HE2 LYS A 49 -15.241 -5.435 4.675 1.00 30.32 H new ATOM 0 HE3 LYS A 49 -14.868 -4.906 6.304 1.00 30.32 H new ATOM 0 HZ1 LYS A 49 -17.121 -5.745 6.148 1.00 44.42 H new ATOM 0 HZ2 LYS A 49 -17.144 -4.091 6.530 1.00 44.42 H new ATOM 0 HZ3 LYS A 49 -17.505 -4.603 4.952 1.00 44.42 H new ATOM 767 N LYS A 50 -10.874 -4.081 7.984 1.00 13.42 N ATOM 768 CA LYS A 50 -10.468 -4.536 9.308 1.00 5.02 C ATOM 769 C LYS A 50 -10.123 -6.022 9.290 1.00 10.25 C ATOM 770 O LYS A 50 -8.953 -6.398 9.364 1.00 71.25 O ATOM 771 CB LYS A 50 -11.580 -4.272 10.325 1.00 12.31 C ATOM 772 CG LYS A 50 -11.218 -3.226 11.366 1.00 65.43 C ATOM 773 CD LYS A 50 -12.422 -2.832 12.203 1.00 13.14 C ATOM 774 CE LYS A 50 -12.948 -1.459 11.812 1.00 21.31 C ATOM 775 NZ LYS A 50 -13.951 -1.542 10.714 1.00 4.41 N ATOM 0 H LYS A 50 -10.850 -4.803 7.264 1.00 13.42 H new ATOM 0 HA LYS A 50 -9.579 -3.977 9.599 1.00 5.02 H new ATOM 0 HB2 LYS A 50 -12.476 -3.950 9.795 1.00 12.31 H new ATOM 0 HB3 LYS A 50 -11.827 -5.205 10.831 1.00 12.31 H new ATOM 0 HG2 LYS A 50 -10.434 -3.614 12.016 1.00 65.43 H new ATOM 0 HG3 LYS A 50 -10.814 -2.343 10.871 1.00 65.43 H new ATOM 0 HD2 LYS A 50 -13.211 -3.574 12.079 1.00 13.14 H new ATOM 0 HD3 LYS A 50 -12.148 -2.831 13.258 1.00 13.14 H new ATOM 0 HE2 LYS A 50 -13.400 -0.982 12.682 1.00 21.31 H new ATOM 0 HE3 LYS A 50 -12.117 -0.827 11.498 1.00 21.31 H new ATOM 0 HZ1 LYS A 50 -14.285 -0.586 10.476 1.00 4.41 H new ATOM 0 HZ2 LYS A 50 -13.513 -1.974 9.876 1.00 4.41 H new ATOM 0 HZ3 LYS A 50 -14.756 -2.124 11.022 1.00 4.41 H new ATOM 789 N ARG A 51 -11.149 -6.861 9.192 1.00 64.33 N ATOM 790 CA ARG A 51 -10.954 -8.306 9.164 1.00 44.21 C ATOM 791 C ARG A 51 -10.697 -8.793 7.741 1.00 51.54 C ATOM 792 O ARG A 51 -11.334 -9.736 7.271 1.00 63.41 O ATOM 793 CB ARG A 51 -12.176 -9.018 9.745 1.00 31.24 C ATOM 794 CG ARG A 51 -11.869 -10.398 10.303 1.00 23.15 C ATOM 795 CD ARG A 51 -12.319 -10.527 11.750 1.00 10.02 C ATOM 796 NE ARG A 51 -11.977 -11.829 12.316 1.00 31.20 N ATOM 797 CZ ARG A 51 -12.030 -12.103 13.615 1.00 73.13 C ATOM 798 NH1 ARG A 51 -12.410 -11.171 14.477 1.00 11.43 N ATOM 799 NH2 ARG A 51 -11.704 -13.312 14.053 1.00 63.21 N ATOM 0 H ARG A 51 -12.123 -6.565 9.131 1.00 64.33 H new ATOM 0 HA ARG A 51 -10.081 -8.541 9.773 1.00 44.21 H new ATOM 0 HB2 ARG A 51 -12.602 -8.402 10.537 1.00 31.24 H new ATOM 0 HB3 ARG A 51 -12.935 -9.110 8.969 1.00 31.24 H new ATOM 0 HG2 ARG A 51 -12.367 -11.155 9.697 1.00 23.15 H new ATOM 0 HG3 ARG A 51 -10.798 -10.589 10.236 1.00 23.15 H new ATOM 0 HD2 ARG A 51 -11.856 -9.740 12.345 1.00 10.02 H new ATOM 0 HD3 ARG A 51 -13.397 -10.378 11.809 1.00 10.02 H new ATOM 0 HE ARG A 51 -11.681 -12.569 11.679 1.00 31.20 H new ATOM 0 HH11 ARG A 51 -12.663 -10.241 14.144 1.00 11.43 H new ATOM 0 HH12 ARG A 51 -12.450 -11.384 15.474 1.00 11.43 H new ATOM 0 HH21 ARG A 51 -11.412 -14.032 13.392 1.00 63.21 H new ATOM 0 HH22 ARG A 51 -11.745 -13.521 15.050 1.00 63.21 H new ATOM 813 N THR A 52 -9.760 -8.142 7.058 1.00 54.43 N ATOM 814 CA THR A 52 -9.421 -8.506 5.688 1.00 22.21 C ATOM 815 C THR A 52 -7.996 -9.040 5.598 1.00 3.34 C ATOM 816 O THR A 52 -7.034 -8.314 5.851 1.00 40.12 O ATOM 817 CB THR A 52 -9.568 -7.306 4.734 1.00 15.22 C ATOM 818 OG1 THR A 52 -10.692 -6.507 5.122 1.00 71.32 O ATOM 819 CG2 THR A 52 -9.745 -7.775 3.298 1.00 45.43 C ATOM 0 H THR A 52 -9.222 -7.360 7.432 1.00 54.43 H new ATOM 0 HA THR A 52 -10.119 -9.287 5.387 1.00 22.21 H new ATOM 0 HB THR A 52 -8.659 -6.708 4.795 1.00 15.22 H new ATOM 0 HG1 THR A 52 -10.778 -5.745 4.512 1.00 71.32 H new ATOM 0 HG21 THR A 52 -9.847 -6.910 2.643 1.00 45.43 H new ATOM 0 HG22 THR A 52 -8.875 -8.359 2.996 1.00 45.43 H new ATOM 0 HG23 THR A 52 -10.640 -8.393 3.225 1.00 45.43 H new ATOM 827 N SER A 53 -7.867 -10.312 5.237 1.00 63.22 N ATOM 828 CA SER A 53 -6.558 -10.944 5.117 1.00 41.12 C ATOM 829 C SER A 53 -5.874 -10.534 3.816 1.00 11.00 C ATOM 830 O SER A 53 -6.427 -9.769 3.024 1.00 1.05 O ATOM 831 CB SER A 53 -6.696 -12.466 5.176 1.00 23.40 C ATOM 832 OG SER A 53 -7.865 -12.899 4.503 1.00 61.34 O ATOM 0 H SER A 53 -8.653 -10.926 5.022 1.00 63.22 H new ATOM 0 HA SER A 53 -5.942 -10.609 5.952 1.00 41.12 H new ATOM 0 HB2 SER A 53 -5.820 -12.931 4.725 1.00 23.40 H new ATOM 0 HB3 SER A 53 -6.730 -12.791 6.216 1.00 23.40 H new ATOM 0 HG SER A 53 -7.929 -13.876 4.554 1.00 61.34 H new ATOM 838 N LEU A 54 -4.668 -11.048 3.602 1.00 71.13 N ATOM 839 CA LEU A 54 -3.907 -10.737 2.397 1.00 43.40 C ATOM 840 C LEU A 54 -4.735 -11.005 1.145 1.00 52.44 C ATOM 841 O LEU A 54 -4.557 -10.349 0.119 1.00 70.15 O ATOM 842 CB LEU A 54 -2.619 -11.561 2.356 1.00 21.14 C ATOM 843 CG LEU A 54 -1.765 -11.411 1.097 1.00 72.02 C ATOM 844 CD1 LEU A 54 -1.291 -9.975 0.941 1.00 3.55 C ATOM 845 CD2 LEU A 54 -0.580 -12.365 1.139 1.00 1.50 C ATOM 0 H LEU A 54 -4.196 -11.682 4.247 1.00 71.13 H new ATOM 0 HA LEU A 54 -3.653 -9.677 2.422 1.00 43.40 H new ATOM 0 HB2 LEU A 54 -2.010 -11.289 3.218 1.00 21.14 H new ATOM 0 HB3 LEU A 54 -2.881 -12.613 2.470 1.00 21.14 H new ATOM 0 HG LEU A 54 -2.379 -11.665 0.233 1.00 72.02 H new ATOM 0 HD11 LEU A 54 -0.685 -9.888 0.039 1.00 3.55 H new ATOM 0 HD12 LEU A 54 -2.154 -9.313 0.863 1.00 3.55 H new ATOM 0 HD13 LEU A 54 -0.694 -9.693 1.808 1.00 3.55 H new ATOM 0 HD21 LEU A 54 0.017 -12.244 0.235 1.00 1.50 H new ATOM 0 HD22 LEU A 54 0.035 -12.144 2.012 1.00 1.50 H new ATOM 0 HD23 LEU A 54 -0.941 -13.392 1.201 1.00 1.50 H new ATOM 857 N ALA A 55 -5.643 -11.971 1.237 1.00 23.14 N ATOM 858 CA ALA A 55 -6.502 -12.323 0.114 1.00 43.24 C ATOM 859 C ALA A 55 -7.252 -11.101 -0.407 1.00 64.55 C ATOM 860 O ALA A 55 -7.511 -10.984 -1.604 1.00 45.14 O ATOM 861 CB ALA A 55 -7.482 -13.413 0.520 1.00 53.03 C ATOM 0 H ALA A 55 -5.803 -12.524 2.079 1.00 23.14 H new ATOM 0 HA ALA A 55 -5.870 -12.700 -0.691 1.00 43.24 H new ATOM 0 HB1 ALA A 55 -8.117 -13.666 -0.329 1.00 53.03 H new ATOM 0 HB2 ALA A 55 -6.931 -14.298 0.837 1.00 53.03 H new ATOM 0 HB3 ALA A 55 -8.101 -13.057 1.343 1.00 53.03 H new ATOM 867 N GLY A 56 -7.599 -10.194 0.500 1.00 2.02 N ATOM 868 CA GLY A 56 -8.317 -8.994 0.112 1.00 4.24 C ATOM 869 C GLY A 56 -7.438 -8.008 -0.632 1.00 53.01 C ATOM 870 O GLY A 56 -7.852 -7.436 -1.640 1.00 71.53 O ATOM 0 H GLY A 56 -7.396 -10.268 1.497 1.00 2.02 H new ATOM 0 HA2 GLY A 56 -9.164 -9.268 -0.517 1.00 4.24 H new ATOM 0 HA3 GLY A 56 -8.724 -8.514 1.002 1.00 4.24 H new ATOM 874 N MET A 57 -6.223 -7.807 -0.134 1.00 1.15 N ATOM 875 CA MET A 57 -5.284 -6.882 -0.759 1.00 32.43 C ATOM 876 C MET A 57 -4.749 -7.454 -2.068 1.00 51.40 C ATOM 877 O MET A 57 -4.740 -6.775 -3.096 1.00 23.35 O ATOM 878 CB MET A 57 -4.124 -6.580 0.191 1.00 22.13 C ATOM 879 CG MET A 57 -4.527 -5.746 1.396 1.00 4.34 C ATOM 880 SD MET A 57 -4.143 -3.996 1.189 1.00 30.14 S ATOM 881 CE MET A 57 -4.660 -3.734 -0.505 1.00 74.33 C ATOM 0 H MET A 57 -5.865 -8.272 0.700 1.00 1.15 H new ATOM 0 HA MET A 57 -5.815 -5.956 -0.978 1.00 32.43 H new ATOM 0 HB2 MET A 57 -3.695 -7.520 0.537 1.00 22.13 H new ATOM 0 HB3 MET A 57 -3.342 -6.056 -0.358 1.00 22.13 H new ATOM 0 HG2 MET A 57 -5.597 -5.861 1.571 1.00 4.34 H new ATOM 0 HG3 MET A 57 -4.016 -6.124 2.282 1.00 4.34 H new ATOM 0 HE1 MET A 57 -4.404 -2.720 -0.811 1.00 74.33 H new ATOM 0 HE2 MET A 57 -4.153 -4.448 -1.155 1.00 74.33 H new ATOM 0 HE3 MET A 57 -5.738 -3.875 -0.582 1.00 74.33 H new ATOM 891 N LYS A 58 -4.304 -8.705 -2.024 1.00 42.34 N ATOM 892 CA LYS A 58 -3.768 -9.368 -3.207 1.00 24.21 C ATOM 893 C LYS A 58 -4.757 -9.298 -4.366 1.00 2.51 C ATOM 894 O LYS A 58 -4.362 -9.219 -5.529 1.00 45.22 O ATOM 895 CB LYS A 58 -3.438 -10.829 -2.892 1.00 33.11 C ATOM 896 CG LYS A 58 -4.658 -11.734 -2.856 1.00 11.50 C ATOM 897 CD LYS A 58 -4.268 -13.188 -2.649 1.00 53.53 C ATOM 898 CE LYS A 58 -3.474 -13.375 -1.366 1.00 1.32 C ATOM 899 NZ LYS A 58 -3.580 -14.766 -0.846 1.00 12.14 N ATOM 0 H LYS A 58 -4.304 -9.280 -1.182 1.00 42.34 H new ATOM 0 HA LYS A 58 -2.855 -8.850 -3.500 1.00 24.21 H new ATOM 0 HB2 LYS A 58 -2.739 -11.204 -3.640 1.00 33.11 H new ATOM 0 HB3 LYS A 58 -2.931 -10.879 -1.929 1.00 33.11 H new ATOM 0 HG2 LYS A 58 -5.324 -11.417 -2.053 1.00 11.50 H new ATOM 0 HG3 LYS A 58 -5.214 -11.635 -3.789 1.00 11.50 H new ATOM 0 HD2 LYS A 58 -5.166 -13.805 -2.616 1.00 53.53 H new ATOM 0 HD3 LYS A 58 -3.676 -13.531 -3.498 1.00 53.53 H new ATOM 0 HE2 LYS A 58 -2.427 -13.134 -1.549 1.00 1.32 H new ATOM 0 HE3 LYS A 58 -3.834 -12.677 -0.611 1.00 1.32 H new ATOM 0 HZ1 LYS A 58 -3.025 -14.853 0.029 1.00 12.14 H new ATOM 0 HZ2 LYS A 58 -4.577 -14.987 -0.647 1.00 12.14 H new ATOM 0 HZ3 LYS A 58 -3.213 -15.431 -1.556 1.00 12.14 H new ATOM 913 N LYS A 59 -6.045 -9.325 -4.041 1.00 2.31 N ATOM 914 CA LYS A 59 -7.092 -9.261 -5.054 1.00 5.10 C ATOM 915 C LYS A 59 -6.939 -8.011 -5.915 1.00 75.34 C ATOM 916 O LYS A 59 -7.240 -8.028 -7.110 1.00 1.11 O ATOM 917 CB LYS A 59 -8.471 -9.272 -4.392 1.00 75.45 C ATOM 918 CG LYS A 59 -9.317 -10.476 -4.771 1.00 13.12 C ATOM 919 CD LYS A 59 -10.624 -10.505 -3.996 1.00 52.31 C ATOM 920 CE LYS A 59 -11.086 -11.930 -3.734 1.00 63.24 C ATOM 921 NZ LYS A 59 -12.121 -11.991 -2.666 1.00 1.43 N ATOM 0 H LYS A 59 -6.389 -9.391 -3.083 1.00 2.31 H new ATOM 0 HA LYS A 59 -6.997 -10.137 -5.696 1.00 5.10 H new ATOM 0 HB2 LYS A 59 -8.345 -9.253 -3.309 1.00 75.45 H new ATOM 0 HB3 LYS A 59 -9.004 -8.362 -4.667 1.00 75.45 H new ATOM 0 HG2 LYS A 59 -9.527 -10.452 -5.840 1.00 13.12 H new ATOM 0 HG3 LYS A 59 -8.757 -11.391 -4.577 1.00 13.12 H new ATOM 0 HD2 LYS A 59 -10.497 -9.982 -3.048 1.00 52.31 H new ATOM 0 HD3 LYS A 59 -11.391 -9.970 -4.555 1.00 52.31 H new ATOM 0 HE2 LYS A 59 -11.488 -12.356 -4.653 1.00 63.24 H new ATOM 0 HE3 LYS A 59 -10.231 -12.542 -3.446 1.00 63.24 H new ATOM 0 HZ1 LYS A 59 -12.409 -12.979 -2.518 1.00 1.43 H new ATOM 0 HZ2 LYS A 59 -11.730 -11.608 -1.782 1.00 1.43 H new ATOM 0 HZ3 LYS A 59 -12.948 -11.428 -2.951 1.00 1.43 H new ATOM 935 N LEU A 60 -6.470 -6.930 -5.303 1.00 54.21 N ATOM 936 CA LEU A 60 -6.277 -5.671 -6.015 1.00 23.12 C ATOM 937 C LEU A 60 -4.947 -5.667 -6.762 1.00 72.35 C ATOM 938 O LEU A 60 -4.853 -5.154 -7.878 1.00 2.02 O ATOM 939 CB LEU A 60 -6.328 -4.496 -5.037 1.00 31.35 C ATOM 940 CG LEU A 60 -7.706 -4.156 -4.468 1.00 52.22 C ATOM 941 CD1 LEU A 60 -8.128 -5.189 -3.435 1.00 5.13 C ATOM 942 CD2 LEU A 60 -7.703 -2.761 -3.860 1.00 4.01 C ATOM 0 H LEU A 60 -6.216 -6.899 -4.316 1.00 54.21 H new ATOM 0 HA LEU A 60 -7.082 -5.566 -6.742 1.00 23.12 H new ATOM 0 HB2 LEU A 60 -5.657 -4.712 -4.206 1.00 31.35 H new ATOM 0 HB3 LEU A 60 -5.937 -3.612 -5.541 1.00 31.35 H new ATOM 0 HG LEU A 60 -8.428 -4.173 -5.284 1.00 52.22 H new ATOM 0 HD11 LEU A 60 -9.111 -4.930 -3.042 1.00 5.13 H new ATOM 0 HD12 LEU A 60 -8.172 -6.173 -3.901 1.00 5.13 H new ATOM 0 HD13 LEU A 60 -7.404 -5.206 -2.620 1.00 5.13 H new ATOM 0 HD21 LEU A 60 -8.692 -2.536 -3.460 1.00 4.01 H new ATOM 0 HD22 LEU A 60 -6.968 -2.716 -3.057 1.00 4.01 H new ATOM 0 HD23 LEU A 60 -7.447 -2.030 -4.627 1.00 4.01 H new ATOM 954 N ILE A 61 -3.924 -6.244 -6.142 1.00 62.40 N ATOM 955 CA ILE A 61 -2.601 -6.310 -6.750 1.00 61.14 C ATOM 956 C ILE A 61 -2.200 -7.753 -7.041 1.00 13.44 C ATOM 957 O ILE A 61 -1.461 -8.382 -6.283 1.00 74.24 O ATOM 958 CB ILE A 61 -1.533 -5.664 -5.848 1.00 33.45 C ATOM 959 CG1 ILE A 61 -2.140 -4.509 -5.049 1.00 34.22 C ATOM 960 CG2 ILE A 61 -0.358 -5.178 -6.682 1.00 24.41 C ATOM 961 CD1 ILE A 61 -2.759 -3.435 -5.915 1.00 51.25 C ATOM 0 H ILE A 61 -3.986 -6.673 -5.219 1.00 62.40 H new ATOM 0 HA ILE A 61 -2.657 -5.755 -7.687 1.00 61.14 H new ATOM 0 HB ILE A 61 -1.169 -6.415 -5.147 1.00 33.45 H new ATOM 0 HG12 ILE A 61 -2.900 -4.904 -4.375 1.00 34.22 H new ATOM 0 HG13 ILE A 61 -1.365 -4.061 -4.427 1.00 34.22 H new ATOM 0 HG21 ILE A 61 0.388 -4.724 -6.030 1.00 24.41 H new ATOM 0 HG22 ILE A 61 0.087 -6.021 -7.210 1.00 24.41 H new ATOM 0 HG23 ILE A 61 -0.705 -4.440 -7.405 1.00 24.41 H new ATOM 0 HD11 ILE A 61 -3.169 -2.649 -5.282 1.00 51.25 H new ATOM 0 HD12 ILE A 61 -1.998 -3.013 -6.571 1.00 51.25 H new ATOM 0 HD13 ILE A 61 -3.557 -3.869 -6.518 1.00 51.25 H new ATOM 973 N PRO A 62 -2.697 -8.290 -8.165 1.00 12.13 N ATOM 974 CA PRO A 62 -2.403 -9.664 -8.583 1.00 3.23 C ATOM 975 C PRO A 62 -0.953 -9.837 -9.024 1.00 34.42 C ATOM 976 O PRO A 62 -0.601 -9.538 -10.164 1.00 11.52 O ATOM 977 CB PRO A 62 -3.351 -9.886 -9.763 1.00 73.42 C ATOM 978 CG PRO A 62 -3.615 -8.522 -10.300 1.00 42.10 C ATOM 979 CD PRO A 62 -3.584 -7.597 -9.114 1.00 73.54 C ATOM 0 HA PRO A 62 -2.540 -10.376 -7.769 1.00 3.23 H new ATOM 0 HB2 PRO A 62 -2.898 -10.528 -10.519 1.00 73.42 H new ATOM 0 HB3 PRO A 62 -4.273 -10.371 -9.444 1.00 73.42 H new ATOM 0 HG2 PRO A 62 -2.861 -8.239 -11.035 1.00 42.10 H new ATOM 0 HG3 PRO A 62 -4.582 -8.481 -10.802 1.00 42.10 H new ATOM 0 HD2 PRO A 62 -3.197 -6.614 -9.381 1.00 73.54 H new ATOM 0 HD3 PRO A 62 -4.579 -7.445 -8.696 1.00 73.54 H new ATOM 987 N GLY A 63 -0.116 -10.324 -8.113 1.00 33.53 N ATOM 988 CA GLY A 63 1.285 -10.530 -8.428 1.00 3.24 C ATOM 989 C GLY A 63 2.176 -9.454 -7.837 1.00 73.43 C ATOM 990 O GLY A 63 2.920 -8.791 -8.558 1.00 50.43 O ATOM 0 H GLY A 63 -0.384 -10.579 -7.162 1.00 33.53 H new ATOM 0 HA2 GLY A 63 1.599 -11.504 -8.053 1.00 3.24 H new ATOM 0 HA3 GLY A 63 1.412 -10.549 -9.510 1.00 3.24 H new ATOM 994 N ALA A 64 2.099 -9.281 -6.522 1.00 55.50 N ATOM 995 CA ALA A 64 2.904 -8.279 -5.835 1.00 41.53 C ATOM 996 C ALA A 64 3.363 -8.783 -4.471 1.00 75.23 C ATOM 997 O ALA A 64 2.831 -9.764 -3.950 1.00 55.01 O ATOM 998 CB ALA A 64 2.120 -6.983 -5.685 1.00 31.43 C ATOM 0 H ALA A 64 1.487 -9.822 -5.911 1.00 55.50 H new ATOM 0 HA ALA A 64 3.791 -8.086 -6.439 1.00 41.53 H new ATOM 0 HB1 ALA A 64 2.734 -6.244 -5.170 1.00 31.43 H new ATOM 0 HB2 ALA A 64 1.848 -6.606 -6.671 1.00 31.43 H new ATOM 0 HB3 ALA A 64 1.215 -7.170 -5.106 1.00 31.43 H new ATOM 1004 N HIS A 65 4.353 -8.108 -3.898 1.00 2.43 N ATOM 1005 CA HIS A 65 4.883 -8.488 -2.593 1.00 63.22 C ATOM 1006 C HIS A 65 4.205 -7.696 -1.479 1.00 63.42 C ATOM 1007 O HIS A 65 4.396 -6.486 -1.359 1.00 25.11 O ATOM 1008 CB HIS A 65 6.395 -8.263 -2.548 1.00 11.41 C ATOM 1009 CG HIS A 65 7.087 -9.055 -1.482 1.00 10.23 C ATOM 1010 ND1 HIS A 65 8.109 -9.942 -1.747 1.00 35.11 N ATOM 1011 CD2 HIS A 65 6.900 -9.088 -0.142 1.00 21.05 C ATOM 1012 CE1 HIS A 65 8.519 -10.488 -0.616 1.00 70.32 C ATOM 1013 NE2 HIS A 65 7.802 -9.987 0.373 1.00 1.42 N ATOM 0 H HIS A 65 4.805 -7.295 -4.316 1.00 2.43 H new ATOM 0 HA HIS A 65 4.676 -9.547 -2.439 1.00 63.22 H new ATOM 0 HB2 HIS A 65 6.822 -8.523 -3.517 1.00 11.41 H new ATOM 0 HB3 HIS A 65 6.592 -7.203 -2.387 1.00 11.41 H new ATOM 0 HD2 HIS A 65 6.176 -8.514 0.418 1.00 21.05 H new ATOM 0 HE1 HIS A 65 9.307 -11.220 -0.517 1.00 70.32 H new ATOM 0 HE2 HIS A 65 7.902 -10.228 1.359 1.00 1.42 H new ATOM 1021 N PHE A 66 3.412 -8.387 -0.667 1.00 71.32 N ATOM 1022 CA PHE A 66 2.704 -7.748 0.436 1.00 71.41 C ATOM 1023 C PHE A 66 3.270 -8.199 1.779 1.00 33.53 C ATOM 1024 O PHE A 66 3.894 -9.255 1.878 1.00 71.31 O ATOM 1025 CB PHE A 66 1.210 -8.070 0.365 1.00 14.12 C ATOM 1026 CG PHE A 66 0.396 -6.996 -0.299 1.00 62.33 C ATOM 1027 CD1 PHE A 66 0.304 -6.933 -1.680 1.00 72.43 C ATOM 1028 CD2 PHE A 66 -0.276 -6.050 0.457 1.00 4.42 C ATOM 1029 CE1 PHE A 66 -0.444 -5.947 -2.295 1.00 52.10 C ATOM 1030 CE2 PHE A 66 -1.025 -5.061 -0.152 1.00 34.11 C ATOM 1031 CZ PHE A 66 -1.109 -5.009 -1.530 1.00 2.14 C ATOM 0 H PHE A 66 3.244 -9.389 -0.752 1.00 71.32 H new ATOM 0 HA PHE A 66 2.841 -6.670 0.348 1.00 71.41 H new ATOM 0 HB2 PHE A 66 1.074 -9.006 -0.177 1.00 14.12 H new ATOM 0 HB3 PHE A 66 0.832 -8.229 1.375 1.00 14.12 H new ATOM 0 HD1 PHE A 66 0.823 -7.663 -2.283 1.00 72.43 H new ATOM 0 HD2 PHE A 66 -0.214 -6.086 1.535 1.00 4.42 H new ATOM 0 HE1 PHE A 66 -0.508 -5.910 -3.372 1.00 52.10 H new ATOM 0 HE2 PHE A 66 -1.544 -4.329 0.449 1.00 34.11 H new ATOM 0 HZ PHE A 66 -1.693 -4.237 -2.008 1.00 2.14 H new ATOM 1041 N GLU A 67 3.047 -7.391 2.810 1.00 15.44 N ATOM 1042 CA GLU A 67 3.535 -7.706 4.148 1.00 44.25 C ATOM 1043 C GLU A 67 2.633 -7.094 5.215 1.00 2.51 C ATOM 1044 O GLU A 67 2.541 -5.872 5.341 1.00 72.23 O ATOM 1045 CB GLU A 67 4.968 -7.199 4.323 1.00 24.14 C ATOM 1046 CG GLU A 67 5.765 -7.974 5.359 1.00 64.50 C ATOM 1047 CD GLU A 67 6.334 -7.082 6.445 1.00 31.33 C ATOM 1048 OE1 GLU A 67 6.798 -5.970 6.117 1.00 73.35 O ATOM 1049 OE2 GLU A 67 6.315 -7.496 7.623 1.00 5.34 O ATOM 0 H GLU A 67 2.532 -6.513 2.745 1.00 15.44 H new ATOM 0 HA GLU A 67 3.523 -8.790 4.266 1.00 44.25 H new ATOM 0 HB2 GLU A 67 5.484 -7.254 3.364 1.00 24.14 H new ATOM 0 HB3 GLU A 67 4.940 -6.148 4.610 1.00 24.14 H new ATOM 0 HG2 GLU A 67 5.125 -8.730 5.814 1.00 64.50 H new ATOM 0 HG3 GLU A 67 6.580 -8.502 4.864 1.00 64.50 H new ATOM 1056 N LYS A 68 1.968 -7.951 5.982 1.00 4.12 N ATOM 1057 CA LYS A 68 1.073 -7.497 7.040 1.00 4.10 C ATOM 1058 C LYS A 68 1.615 -7.881 8.413 1.00 22.12 C ATOM 1059 O LYS A 68 1.186 -7.341 9.433 1.00 24.32 O ATOM 1060 CB LYS A 68 -0.323 -8.093 6.846 1.00 44.01 C ATOM 1061 CG LYS A 68 -1.234 -7.910 8.047 1.00 75.12 C ATOM 1062 CD LYS A 68 -1.455 -6.440 8.361 1.00 51.24 C ATOM 1063 CE LYS A 68 -2.473 -6.254 9.475 1.00 34.52 C ATOM 1064 NZ LYS A 68 -3.433 -5.157 9.173 1.00 52.14 N ATOM 0 H LYS A 68 2.032 -8.965 5.891 1.00 4.12 H new ATOM 0 HA LYS A 68 1.008 -6.410 6.985 1.00 4.10 H new ATOM 0 HB2 LYS A 68 -0.788 -7.632 5.974 1.00 44.01 H new ATOM 0 HB3 LYS A 68 -0.228 -9.157 6.631 1.00 44.01 H new ATOM 0 HG2 LYS A 68 -2.193 -8.390 7.853 1.00 75.12 H new ATOM 0 HG3 LYS A 68 -0.799 -8.407 8.914 1.00 75.12 H new ATOM 0 HD2 LYS A 68 -0.509 -5.983 8.651 1.00 51.24 H new ATOM 0 HD3 LYS A 68 -1.797 -5.923 7.464 1.00 51.24 H new ATOM 0 HE2 LYS A 68 -3.021 -7.184 9.625 1.00 34.52 H new ATOM 0 HE3 LYS A 68 -1.954 -6.035 10.408 1.00 34.52 H new ATOM 0 HZ1 LYS A 68 -3.988 -4.937 10.025 1.00 52.14 H new ATOM 0 HZ2 LYS A 68 -2.909 -4.310 8.873 1.00 52.14 H new ATOM 0 HZ3 LYS A 68 -4.074 -5.456 8.410 1.00 52.14 H new ATOM 1078 N ARG A 69 2.560 -8.815 8.431 1.00 24.23 N ATOM 1079 CA ARG A 69 3.161 -9.271 9.679 1.00 13.44 C ATOM 1080 C ARG A 69 3.480 -8.090 10.591 1.00 4.15 C ATOM 1081 O ARG A 69 3.194 -8.122 11.788 1.00 22.14 O ATOM 1082 CB ARG A 69 4.434 -10.069 9.396 1.00 63.31 C ATOM 1083 CG ARG A 69 4.353 -11.521 9.837 1.00 24.54 C ATOM 1084 CD ARG A 69 5.713 -12.199 9.776 1.00 5.10 C ATOM 1085 NE ARG A 69 5.603 -13.654 9.831 1.00 21.10 N ATOM 1086 CZ ARG A 69 6.649 -14.468 9.919 1.00 44.31 C ATOM 1087 NH1 ARG A 69 7.878 -13.971 9.962 1.00 51.11 N ATOM 1088 NH2 ARG A 69 6.468 -15.781 9.964 1.00 30.44 N ATOM 0 H ARG A 69 2.926 -9.271 7.595 1.00 24.23 H new ATOM 0 HA ARG A 69 2.442 -9.916 10.185 1.00 13.44 H new ATOM 0 HB2 ARG A 69 4.645 -10.034 8.327 1.00 63.31 H new ATOM 0 HB3 ARG A 69 5.273 -9.591 9.902 1.00 63.31 H new ATOM 0 HG2 ARG A 69 3.965 -11.572 10.854 1.00 24.54 H new ATOM 0 HG3 ARG A 69 3.649 -12.057 9.200 1.00 24.54 H new ATOM 0 HD2 ARG A 69 6.222 -11.909 8.857 1.00 5.10 H new ATOM 0 HD3 ARG A 69 6.329 -11.851 10.605 1.00 5.10 H new ATOM 0 HE ARG A 69 4.671 -14.068 9.800 1.00 21.10 H new ATOM 0 HH11 ARG A 69 8.021 -12.962 9.928 1.00 51.11 H new ATOM 0 HH12 ARG A 69 8.680 -14.598 10.030 1.00 51.11 H new ATOM 0 HH21 ARG A 69 5.525 -16.167 9.931 1.00 30.44 H new ATOM 0 HH22 ARG A 69 7.272 -16.405 10.032 1.00 30.44 H new ATOM 1102 N ARG A 70 4.076 -7.050 10.017 1.00 13.54 N ATOM 1103 CA ARG A 70 4.436 -5.860 10.779 1.00 40.53 C ATOM 1104 C ARG A 70 5.174 -4.854 9.899 1.00 30.34 C ATOM 1105 O ARG A 70 6.386 -4.681 10.020 1.00 50.02 O ATOM 1106 CB ARG A 70 5.306 -6.240 11.978 1.00 3.41 C ATOM 1107 CG ARG A 70 4.754 -5.755 13.309 1.00 64.31 C ATOM 1108 CD ARG A 70 4.501 -6.913 14.261 1.00 21.35 C ATOM 1109 NE ARG A 70 5.559 -7.042 15.260 1.00 61.11 N ATOM 1110 CZ ARG A 70 5.456 -7.800 16.346 1.00 63.11 C ATOM 1111 NH1 ARG A 70 4.349 -8.494 16.572 1.00 2.40 N ATOM 1112 NH2 ARG A 70 6.463 -7.866 17.208 1.00 13.12 N ATOM 0 H ARG A 70 4.320 -7.007 9.027 1.00 13.54 H new ATOM 0 HA ARG A 70 3.517 -5.397 11.138 1.00 40.53 H new ATOM 0 HB2 ARG A 70 5.411 -7.324 12.011 1.00 3.41 H new ATOM 0 HB3 ARG A 70 6.305 -5.828 11.837 1.00 3.41 H new ATOM 0 HG2 ARG A 70 5.457 -5.056 13.763 1.00 64.31 H new ATOM 0 HG3 ARG A 70 3.825 -5.210 13.142 1.00 64.31 H new ATOM 0 HD2 ARG A 70 3.544 -6.767 14.763 1.00 21.35 H new ATOM 0 HD3 ARG A 70 4.425 -7.840 13.692 1.00 21.35 H new ATOM 0 HE ARG A 70 6.424 -6.522 15.116 1.00 61.11 H new ATOM 0 HH11 ARG A 70 3.574 -8.447 15.911 1.00 2.40 H new ATOM 0 HH12 ARG A 70 4.273 -9.075 17.407 1.00 2.40 H new ATOM 0 HH21 ARG A 70 7.317 -7.334 17.037 1.00 13.12 H new ATOM 0 HH22 ARG A 70 6.383 -8.448 18.042 1.00 13.12 H new ATOM 1126 N GLY A 71 4.433 -4.194 9.014 1.00 64.31 N ATOM 1127 CA GLY A 71 5.034 -3.216 8.127 1.00 43.51 C ATOM 1128 C GLY A 71 5.437 -1.946 8.852 1.00 60.55 C ATOM 1129 O GLY A 71 4.773 -0.916 8.732 1.00 62.13 O ATOM 0 H GLY A 71 3.428 -4.319 8.896 1.00 64.31 H new ATOM 0 HA2 GLY A 71 5.912 -3.653 7.651 1.00 43.51 H new ATOM 0 HA3 GLY A 71 4.330 -2.969 7.332 1.00 43.51 H new ATOM 1133 N THR A 72 6.528 -2.019 9.608 1.00 33.42 N ATOM 1134 CA THR A 72 7.016 -0.869 10.358 1.00 45.14 C ATOM 1135 C THR A 72 5.886 -0.191 11.124 1.00 61.25 C ATOM 1136 O THR A 72 5.939 1.009 11.392 1.00 62.40 O ATOM 1137 CB THR A 72 7.684 0.164 9.430 1.00 72.44 C ATOM 1138 OG1 THR A 72 6.963 0.251 8.195 1.00 1.03 O ATOM 1139 CG2 THR A 72 9.131 -0.214 9.152 1.00 61.11 C ATOM 0 H THR A 72 7.090 -2.863 9.717 1.00 33.42 H new ATOM 0 HA THR A 72 7.756 -1.244 11.065 1.00 45.14 H new ATOM 0 HB THR A 72 7.668 1.133 9.930 1.00 72.44 H new ATOM 0 HG1 THR A 72 6.001 0.187 8.372 1.00 1.03 H new ATOM 0 HG21 THR A 72 9.582 0.530 8.495 1.00 61.11 H new ATOM 0 HG22 THR A 72 9.684 -0.252 10.091 1.00 61.11 H new ATOM 0 HG23 THR A 72 9.166 -1.192 8.671 1.00 61.11 H new ATOM 1147 N GLN A 73 4.865 -0.968 11.473 1.00 44.52 N ATOM 1148 CA GLN A 73 3.722 -0.440 12.208 1.00 22.44 C ATOM 1149 C GLN A 73 3.198 0.836 11.559 1.00 43.04 C ATOM 1150 O GLN A 73 3.548 1.155 10.423 1.00 73.10 O ATOM 1151 CB GLN A 73 4.108 -0.165 13.663 1.00 73.21 C ATOM 1152 CG GLN A 73 3.059 -0.617 14.666 1.00 13.32 C ATOM 1153 CD GLN A 73 3.458 -1.883 15.398 1.00 11.11 C ATOM 1154 OE1 GLN A 73 3.378 -2.982 14.849 1.00 35.35 O ATOM 1155 NE2 GLN A 73 3.892 -1.735 16.644 1.00 12.23 N ATOM 0 H GLN A 73 4.806 -1.964 11.259 1.00 44.52 H new ATOM 0 HA GLN A 73 2.930 -1.189 12.184 1.00 22.44 H new ATOM 0 HB2 GLN A 73 5.049 -0.669 13.882 1.00 73.21 H new ATOM 0 HB3 GLN A 73 4.282 0.904 13.788 1.00 73.21 H new ATOM 0 HG2 GLN A 73 2.889 0.179 15.391 1.00 13.32 H new ATOM 0 HG3 GLN A 73 2.115 -0.784 14.148 1.00 13.32 H new ATOM 0 HE21 GLN A 73 3.942 -0.805 17.060 1.00 12.23 H new ATOM 0 HE22 GLN A 73 4.175 -2.551 17.186 1.00 12.23 H new ATOM 1164 N GLY A 74 2.357 1.563 12.287 1.00 11.25 N ATOM 1165 CA GLY A 74 1.798 2.796 11.765 1.00 11.42 C ATOM 1166 C GLY A 74 2.852 3.862 11.543 1.00 43.43 C ATOM 1167 O GLY A 74 2.591 4.877 10.897 1.00 63.32 O ATOM 0 H GLY A 74 2.052 1.320 13.230 1.00 11.25 H new ATOM 0 HA2 GLY A 74 1.289 2.591 10.823 1.00 11.42 H new ATOM 0 HA3 GLY A 74 1.046 3.172 12.458 1.00 11.42 H new ATOM 1171 N GLU A 75 4.046 3.633 12.081 1.00 43.15 N ATOM 1172 CA GLU A 75 5.143 4.584 11.939 1.00 55.12 C ATOM 1173 C GLU A 75 5.454 4.840 10.467 1.00 55.50 C ATOM 1174 O GLU A 75 5.969 5.898 10.106 1.00 73.03 O ATOM 1175 CB GLU A 75 6.393 4.065 12.653 1.00 54.44 C ATOM 1176 CG GLU A 75 7.039 5.090 13.570 1.00 61.13 C ATOM 1177 CD GLU A 75 7.535 4.481 14.867 1.00 15.21 C ATOM 1178 OE1 GLU A 75 6.689 4.077 15.693 1.00 61.12 O ATOM 1179 OE2 GLU A 75 8.767 4.409 15.057 1.00 15.41 O ATOM 0 H GLU A 75 4.278 2.798 12.619 1.00 43.15 H new ATOM 0 HA GLU A 75 4.836 5.524 12.397 1.00 55.12 H new ATOM 0 HB2 GLU A 75 6.128 3.183 13.237 1.00 54.44 H new ATOM 0 HB3 GLU A 75 7.121 3.747 11.907 1.00 54.44 H new ATOM 0 HG2 GLU A 75 7.874 5.561 13.051 1.00 61.13 H new ATOM 0 HG3 GLU A 75 6.319 5.877 13.794 1.00 61.13 H new ATOM 1186 N ALA A 76 5.137 3.864 9.623 1.00 51.24 N ATOM 1187 CA ALA A 76 5.381 3.984 8.191 1.00 73.24 C ATOM 1188 C ALA A 76 4.578 5.134 7.591 1.00 23.22 C ATOM 1189 O ALA A 76 4.857 5.585 6.480 1.00 30.31 O ATOM 1190 CB ALA A 76 5.042 2.678 7.487 1.00 51.23 C ATOM 0 H ALA A 76 4.711 2.982 9.906 1.00 51.24 H new ATOM 0 HA ALA A 76 6.439 4.200 8.045 1.00 73.24 H new ATOM 0 HB1 ALA A 76 5.229 2.782 6.418 1.00 51.23 H new ATOM 0 HB2 ALA A 76 5.663 1.877 7.888 1.00 51.23 H new ATOM 0 HB3 ALA A 76 3.991 2.439 7.650 1.00 51.23 H new ATOM 1196 N ARG A 77 3.581 5.603 8.334 1.00 40.44 N ATOM 1197 CA ARG A 77 2.737 6.700 7.874 1.00 20.30 C ATOM 1198 C ARG A 77 3.551 7.979 7.705 1.00 5.04 C ATOM 1199 O ARG A 77 3.165 8.879 6.960 1.00 31.14 O ATOM 1200 CB ARG A 77 1.592 6.938 8.860 1.00 72.21 C ATOM 1201 CG ARG A 77 0.594 5.793 8.922 1.00 13.10 C ATOM 1202 CD ARG A 77 -0.337 5.930 10.117 1.00 62.50 C ATOM 1203 NE ARG A 77 -1.358 6.951 9.902 1.00 51.14 N ATOM 1204 CZ ARG A 77 -2.121 7.444 10.871 1.00 21.41 C ATOM 1205 NH1 ARG A 77 -1.978 7.011 12.116 1.00 20.22 N ATOM 1206 NH2 ARG A 77 -3.029 8.372 10.596 1.00 24.42 N ATOM 0 H ARG A 77 3.338 5.241 9.256 1.00 40.44 H new ATOM 0 HA ARG A 77 2.322 6.424 6.905 1.00 20.30 H new ATOM 0 HB2 ARG A 77 2.008 7.101 9.854 1.00 72.21 H new ATOM 0 HB3 ARG A 77 1.067 7.852 8.581 1.00 72.21 H new ATOM 0 HG2 ARG A 77 0.008 5.770 8.003 1.00 13.10 H new ATOM 0 HG3 ARG A 77 1.129 4.845 8.983 1.00 13.10 H new ATOM 0 HD2 ARG A 77 -0.818 4.972 10.313 1.00 62.50 H new ATOM 0 HD3 ARG A 77 0.246 6.181 11.003 1.00 62.50 H new ATOM 0 HE ARG A 77 -1.493 7.305 8.955 1.00 51.14 H new ATOM 0 HH11 ARG A 77 -1.281 6.298 12.331 1.00 20.22 H new ATOM 0 HH12 ARG A 77 -2.565 7.391 12.859 1.00 20.22 H new ATOM 0 HH21 ARG A 77 -3.142 8.708 9.639 1.00 24.42 H new ATOM 0 HH22 ARG A 77 -3.614 8.750 11.341 1.00 24.42 H new ATOM 1220 N ALA A 78 4.680 8.052 8.403 1.00 2.01 N ATOM 1221 CA ALA A 78 5.550 9.220 8.330 1.00 74.44 C ATOM 1222 C ALA A 78 6.684 8.997 7.335 1.00 4.44 C ATOM 1223 O ALA A 78 6.684 9.563 6.242 1.00 60.34 O ATOM 1224 CB ALA A 78 6.108 9.549 9.706 1.00 41.41 C ATOM 0 H ALA A 78 5.014 7.316 9.025 1.00 2.01 H new ATOM 0 HA ALA A 78 4.956 10.065 7.981 1.00 74.44 H new ATOM 0 HB1 ALA A 78 6.756 10.423 9.637 1.00 41.41 H new ATOM 0 HB2 ALA A 78 5.287 9.760 10.391 1.00 41.41 H new ATOM 0 HB3 ALA A 78 6.682 8.701 10.078 1.00 41.41 H new ATOM 1230 N TYR A 79 7.650 8.172 7.723 1.00 64.04 N ATOM 1231 CA TYR A 79 8.793 7.878 6.866 1.00 22.12 C ATOM 1232 C TYR A 79 8.335 7.389 5.496 1.00 63.44 C ATOM 1233 O TYR A 79 8.723 7.940 4.466 1.00 40.13 O ATOM 1234 CB TYR A 79 9.691 6.827 7.521 1.00 1.13 C ATOM 1235 CG TYR A 79 10.571 6.086 6.540 1.00 4.23 C ATOM 1236 CD1 TYR A 79 11.367 6.775 5.633 1.00 1.43 C ATOM 1237 CD2 TYR A 79 10.607 4.697 6.520 1.00 52.54 C ATOM 1238 CE1 TYR A 79 12.173 6.103 4.735 1.00 75.24 C ATOM 1239 CE2 TYR A 79 11.410 4.017 5.626 1.00 62.34 C ATOM 1240 CZ TYR A 79 12.191 4.724 4.735 1.00 30.30 C ATOM 1241 OH TYR A 79 12.992 4.049 3.842 1.00 54.21 O ATOM 0 H TYR A 79 7.665 7.695 8.625 1.00 64.04 H new ATOM 0 HA TYR A 79 9.361 8.799 6.732 1.00 22.12 H new ATOM 0 HB2 TYR A 79 10.321 7.313 8.266 1.00 1.13 H new ATOM 0 HB3 TYR A 79 9.067 6.108 8.051 1.00 1.13 H new ATOM 0 HD1 TYR A 79 11.355 7.855 5.630 1.00 1.43 H new ATOM 0 HD2 TYR A 79 9.997 4.140 7.215 1.00 52.54 H new ATOM 0 HE1 TYR A 79 12.786 6.654 4.037 1.00 75.24 H new ATOM 0 HE2 TYR A 79 11.427 2.937 5.624 1.00 62.34 H new ATOM 0 HH TYR A 79 12.888 3.084 3.975 1.00 54.21 H new ATOM 1251 N SER A 80 7.507 6.349 5.492 1.00 13.21 N ATOM 1252 CA SER A 80 6.997 5.782 4.249 1.00 1.11 C ATOM 1253 C SER A 80 8.138 5.257 3.383 1.00 4.14 C ATOM 1254 O SER A 80 8.505 4.085 3.464 1.00 13.03 O ATOM 1255 CB SER A 80 6.196 6.831 3.476 1.00 43.54 C ATOM 1256 OG SER A 80 4.982 7.138 4.139 1.00 25.05 O ATOM 0 H SER A 80 7.175 5.882 6.336 1.00 13.21 H new ATOM 0 HA SER A 80 6.342 4.948 4.501 1.00 1.11 H new ATOM 0 HB2 SER A 80 6.791 7.737 3.363 1.00 43.54 H new ATOM 0 HB3 SER A 80 5.983 6.463 2.472 1.00 43.54 H new ATOM 0 HG SER A 80 4.914 6.607 4.960 1.00 25.05 H new ATOM 1262 N MET A 81 8.696 6.134 2.555 1.00 1.11 N ATOM 1263 CA MET A 81 9.797 5.760 1.675 1.00 52.04 C ATOM 1264 C MET A 81 10.925 6.784 1.749 1.00 11.04 C ATOM 1265 O MET A 81 10.936 7.648 2.626 1.00 12.32 O ATOM 1266 CB MET A 81 9.303 5.632 0.232 1.00 3.01 C ATOM 1267 CG MET A 81 8.048 4.786 0.092 1.00 2.10 C ATOM 1268 SD MET A 81 6.742 5.628 -0.823 1.00 31.44 S ATOM 1269 CE MET A 81 5.335 5.330 0.245 1.00 70.50 C ATOM 0 H MET A 81 8.404 7.108 2.475 1.00 1.11 H new ATOM 0 HA MET A 81 10.183 4.796 2.007 1.00 52.04 H new ATOM 0 HB2 MET A 81 9.106 6.628 -0.166 1.00 3.01 H new ATOM 0 HB3 MET A 81 10.095 5.196 -0.377 1.00 3.01 H new ATOM 0 HG2 MET A 81 8.298 3.853 -0.414 1.00 2.10 H new ATOM 0 HG3 MET A 81 7.680 4.522 1.083 1.00 2.10 H new ATOM 0 HE1 MET A 81 4.457 5.110 -0.363 1.00 70.50 H new ATOM 0 HE2 MET A 81 5.546 4.483 0.897 1.00 70.50 H new ATOM 0 HE3 MET A 81 5.144 6.216 0.851 1.00 70.50 H new ATOM 1279 N LYS A 82 11.873 6.681 0.825 1.00 45.34 N ATOM 1280 CA LYS A 82 13.006 7.599 0.785 1.00 62.45 C ATOM 1281 C LYS A 82 12.861 8.592 -0.364 1.00 3.12 C ATOM 1282 O LYS A 82 12.702 8.200 -1.519 1.00 64.40 O ATOM 1283 CB LYS A 82 14.315 6.819 0.637 1.00 51.24 C ATOM 1284 CG LYS A 82 15.013 6.546 1.958 1.00 73.13 C ATOM 1285 CD LYS A 82 16.354 5.863 1.749 1.00 32.21 C ATOM 1286 CE LYS A 82 16.220 4.348 1.787 1.00 53.22 C ATOM 1287 NZ LYS A 82 16.137 3.764 0.419 1.00 2.53 N ATOM 0 H LYS A 82 11.880 5.971 0.093 1.00 45.34 H new ATOM 0 HA LYS A 82 13.025 8.155 1.722 1.00 62.45 H new ATOM 0 HB2 LYS A 82 14.109 5.870 0.142 1.00 51.24 H new ATOM 0 HB3 LYS A 82 14.989 7.377 -0.012 1.00 51.24 H new ATOM 0 HG2 LYS A 82 15.161 7.484 2.493 1.00 73.13 H new ATOM 0 HG3 LYS A 82 14.378 5.919 2.583 1.00 73.13 H new ATOM 0 HD2 LYS A 82 16.773 6.168 0.790 1.00 32.21 H new ATOM 0 HD3 LYS A 82 17.053 6.187 2.520 1.00 32.21 H new ATOM 0 HE2 LYS A 82 17.074 3.921 2.313 1.00 53.22 H new ATOM 0 HE3 LYS A 82 15.329 4.076 2.353 1.00 53.22 H new ATOM 0 HZ1 LYS A 82 16.200 2.728 0.480 1.00 2.53 H new ATOM 0 HZ2 LYS A 82 15.232 4.031 -0.018 1.00 2.53 H new ATOM 0 HZ3 LYS A 82 16.921 4.125 -0.161 1.00 2.53 H new ATOM 1301 N GLU A 83 12.919 9.880 -0.037 1.00 72.53 N ATOM 1302 CA GLU A 83 12.795 10.928 -1.043 1.00 15.11 C ATOM 1303 C GLU A 83 13.928 10.842 -2.061 1.00 51.52 C ATOM 1304 O GLU A 83 13.738 11.129 -3.243 1.00 53.52 O ATOM 1305 CB GLU A 83 12.795 12.306 -0.378 1.00 11.13 C ATOM 1306 CG GLU A 83 11.445 12.707 0.192 1.00 53.31 C ATOM 1307 CD GLU A 83 11.434 14.128 0.723 1.00 23.40 C ATOM 1308 OE1 GLU A 83 11.966 15.023 0.034 1.00 10.12 O ATOM 1309 OE2 GLU A 83 10.894 14.343 1.828 1.00 12.12 O ATOM 0 H GLU A 83 13.051 10.222 0.915 1.00 72.53 H new ATOM 0 HA GLU A 83 11.849 10.785 -1.566 1.00 15.11 H new ATOM 0 HB2 GLU A 83 13.535 12.314 0.423 1.00 11.13 H new ATOM 0 HB3 GLU A 83 13.108 13.052 -1.108 1.00 11.13 H new ATOM 0 HG2 GLU A 83 10.684 12.606 -0.582 1.00 53.31 H new ATOM 0 HG3 GLU A 83 11.176 12.021 0.995 1.00 53.31 H new ATOM 1316 N ASP A 84 15.107 10.446 -1.594 1.00 15.55 N ATOM 1317 CA ASP A 84 16.271 10.322 -2.462 1.00 42.32 C ATOM 1318 C ASP A 84 16.017 9.305 -3.570 1.00 72.02 C ATOM 1319 O ASP A 84 16.664 9.335 -4.617 1.00 45.22 O ATOM 1320 CB ASP A 84 17.500 9.912 -1.648 1.00 54.15 C ATOM 1321 CG ASP A 84 18.272 11.107 -1.124 1.00 62.45 C ATOM 1322 OD1 ASP A 84 17.629 12.079 -0.678 1.00 50.32 O ATOM 1323 OD2 ASP A 84 19.520 11.069 -1.161 1.00 41.14 O ATOM 0 H ASP A 84 15.281 10.205 -0.618 1.00 15.55 H new ATOM 0 HA ASP A 84 16.456 11.293 -2.921 1.00 42.32 H new ATOM 0 HB2 ASP A 84 17.186 9.290 -0.810 1.00 54.15 H new ATOM 0 HB3 ASP A 84 18.157 9.303 -2.269 1.00 54.15 H new ATOM 1328 N THR A 85 15.069 8.403 -3.332 1.00 65.14 N ATOM 1329 CA THR A 85 14.731 7.375 -4.308 1.00 73.04 C ATOM 1330 C THR A 85 13.270 7.478 -4.731 1.00 13.11 C ATOM 1331 O THR A 85 12.758 6.617 -5.447 1.00 25.33 O ATOM 1332 CB THR A 85 14.994 5.963 -3.751 1.00 52.15 C ATOM 1333 OG1 THR A 85 15.000 5.994 -2.320 1.00 1.51 O ATOM 1334 CG2 THR A 85 16.322 5.420 -4.258 1.00 13.42 C ATOM 0 H THR A 85 14.522 8.364 -2.472 1.00 65.14 H new ATOM 0 HA THR A 85 15.370 7.540 -5.175 1.00 73.04 H new ATOM 0 HB THR A 85 14.196 5.306 -4.096 1.00 52.15 H new ATOM 0 HG1 THR A 85 15.166 5.092 -1.974 1.00 1.51 H new ATOM 0 HG21 THR A 85 16.486 4.422 -3.851 1.00 13.42 H new ATOM 0 HG22 THR A 85 16.303 5.370 -5.347 1.00 13.42 H new ATOM 0 HG23 THR A 85 17.130 6.079 -3.940 1.00 13.42 H new ATOM 1342 N ARG A 86 12.603 8.537 -4.284 1.00 53.33 N ATOM 1343 CA ARG A 86 11.200 8.752 -4.616 1.00 55.33 C ATOM 1344 C ARG A 86 11.062 9.490 -5.945 1.00 0.21 C ATOM 1345 O ARG A 86 11.742 10.489 -6.186 1.00 33.20 O ATOM 1346 CB ARG A 86 10.506 9.545 -3.506 1.00 64.15 C ATOM 1347 CG ARG A 86 9.026 9.232 -3.368 1.00 75.22 C ATOM 1348 CD ARG A 86 8.639 8.995 -1.917 1.00 24.44 C ATOM 1349 NE ARG A 86 8.318 10.240 -1.225 1.00 52.12 N ATOM 1350 CZ ARG A 86 8.335 10.373 0.096 1.00 22.34 C ATOM 1351 NH1 ARG A 86 8.657 9.342 0.865 1.00 25.42 N ATOM 1352 NH2 ARG A 86 8.030 11.539 0.652 1.00 64.35 N ATOM 0 H ARG A 86 13.012 9.259 -3.691 1.00 53.33 H new ATOM 0 HA ARG A 86 10.722 7.777 -4.710 1.00 55.33 H new ATOM 0 HB2 ARG A 86 11.002 9.337 -2.558 1.00 64.15 H new ATOM 0 HB3 ARG A 86 10.627 10.610 -3.702 1.00 64.15 H new ATOM 0 HG2 ARG A 86 8.439 10.057 -3.772 1.00 75.22 H new ATOM 0 HG3 ARG A 86 8.783 8.349 -3.959 1.00 75.22 H new ATOM 0 HD2 ARG A 86 7.780 8.326 -1.876 1.00 24.44 H new ATOM 0 HD3 ARG A 86 9.458 8.494 -1.401 1.00 24.44 H new ATOM 0 HE ARG A 86 8.067 11.053 -1.788 1.00 52.12 H new ATOM 0 HH11 ARG A 86 8.892 8.444 0.442 1.00 25.42 H new ATOM 0 HH12 ARG A 86 8.669 9.447 1.880 1.00 25.42 H new ATOM 0 HH21 ARG A 86 7.782 12.335 0.064 1.00 64.35 H new ATOM 0 HH22 ARG A 86 8.044 11.639 1.667 1.00 64.35 H new ATOM 1366 N LEU A 87 10.179 8.992 -6.804 1.00 4.04 N ATOM 1367 CA LEU A 87 9.953 9.603 -8.109 1.00 13.23 C ATOM 1368 C LEU A 87 8.757 10.549 -8.067 1.00 34.32 C ATOM 1369 O LEU A 87 8.872 11.726 -8.407 1.00 20.40 O ATOM 1370 CB LEU A 87 9.726 8.523 -9.167 1.00 63.44 C ATOM 1371 CG LEU A 87 10.634 8.586 -10.396 1.00 41.12 C ATOM 1372 CD1 LEU A 87 10.148 7.624 -11.469 1.00 63.01 C ATOM 1373 CD2 LEU A 87 10.697 10.006 -10.940 1.00 4.13 C ATOM 0 H LEU A 87 9.608 8.167 -6.620 1.00 4.04 H new ATOM 0 HA LEU A 87 10.840 10.179 -8.372 1.00 13.23 H new ATOM 0 HB2 LEU A 87 9.853 7.548 -8.696 1.00 63.44 H new ATOM 0 HB3 LEU A 87 8.690 8.582 -9.502 1.00 63.44 H new ATOM 0 HG LEU A 87 11.639 8.287 -10.097 1.00 41.12 H new ATOM 0 HD11 LEU A 87 10.806 7.683 -12.336 1.00 63.01 H new ATOM 0 HD12 LEU A 87 10.155 6.607 -11.076 1.00 63.01 H new ATOM 0 HD13 LEU A 87 9.134 7.892 -11.765 1.00 63.01 H new ATOM 0 HD21 LEU A 87 11.347 10.032 -11.814 1.00 4.13 H new ATOM 0 HD22 LEU A 87 9.696 10.332 -11.223 1.00 4.13 H new ATOM 0 HD23 LEU A 87 11.093 10.672 -10.173 1.00 4.13 H new ATOM 1385 N GLU A 88 7.609 10.025 -7.645 1.00 44.44 N ATOM 1386 CA GLU A 88 6.393 10.824 -7.558 1.00 12.33 C ATOM 1387 C GLU A 88 5.683 10.591 -6.227 1.00 24.21 C ATOM 1388 O GLU A 88 6.090 9.742 -5.435 1.00 32.40 O ATOM 1389 CB GLU A 88 5.451 10.489 -8.716 1.00 20.41 C ATOM 1390 CG GLU A 88 4.813 11.710 -9.355 1.00 55.30 C ATOM 1391 CD GLU A 88 5.816 12.572 -10.097 1.00 73.12 C ATOM 1392 OE1 GLU A 88 6.365 12.101 -11.115 1.00 24.35 O ATOM 1393 OE2 GLU A 88 6.050 13.718 -9.660 1.00 45.01 O ATOM 0 H GLU A 88 7.497 9.052 -7.359 1.00 44.44 H new ATOM 0 HA GLU A 88 6.675 11.875 -7.621 1.00 12.33 H new ATOM 0 HB2 GLU A 88 6.005 9.939 -9.477 1.00 20.41 H new ATOM 0 HB3 GLU A 88 4.665 9.827 -8.354 1.00 20.41 H new ATOM 0 HG2 GLU A 88 4.034 11.388 -10.047 1.00 55.30 H new ATOM 0 HG3 GLU A 88 4.327 12.307 -8.583 1.00 55.30 H new ATOM 1400 N GLY A 89 4.620 11.352 -5.988 1.00 52.41 N ATOM 1401 CA GLY A 89 3.871 11.214 -4.753 1.00 11.32 C ATOM 1402 C GLY A 89 4.320 12.197 -3.690 1.00 30.04 C ATOM 1403 O GLY A 89 5.090 13.121 -3.953 1.00 71.22 O ATOM 0 H GLY A 89 4.264 12.062 -6.628 1.00 52.41 H new ATOM 0 HA2 GLY A 89 2.810 11.363 -4.956 1.00 11.32 H new ATOM 0 HA3 GLY A 89 3.984 10.198 -4.375 1.00 11.32 H new ATOM 1407 N PRO A 90 3.832 12.003 -2.455 1.00 51.43 N ATOM 1408 CA PRO A 90 2.914 10.908 -2.130 1.00 20.31 C ATOM 1409 C PRO A 90 1.535 11.103 -2.751 1.00 0.04 C ATOM 1410 O PRO A 90 1.231 12.168 -3.288 1.00 2.23 O ATOM 1411 CB PRO A 90 2.825 10.961 -0.603 1.00 4.14 C ATOM 1412 CG PRO A 90 3.145 12.374 -0.254 1.00 24.43 C ATOM 1413 CD PRO A 90 4.138 12.840 -1.283 1.00 21.44 C ATOM 0 HA PRO A 90 3.267 9.952 -2.517 1.00 20.31 H new ATOM 0 HB2 PRO A 90 1.830 10.683 -0.254 1.00 4.14 H new ATOM 0 HB3 PRO A 90 3.530 10.270 -0.141 1.00 4.14 H new ATOM 0 HG2 PRO A 90 2.248 12.993 -0.269 1.00 24.43 H new ATOM 0 HG3 PRO A 90 3.562 12.443 0.751 1.00 24.43 H new ATOM 0 HD2 PRO A 90 4.019 13.901 -1.505 1.00 21.44 H new ATOM 0 HD3 PRO A 90 5.164 12.698 -0.944 1.00 21.44 H new ATOM 1421 N TRP A 91 0.705 10.069 -2.673 1.00 11.42 N ATOM 1422 CA TRP A 91 -0.643 10.128 -3.227 1.00 41.33 C ATOM 1423 C TRP A 91 -1.648 9.477 -2.284 1.00 74.24 C ATOM 1424 O TRP A 91 -1.446 8.352 -1.829 1.00 60.21 O ATOM 1425 CB TRP A 91 -0.685 9.440 -4.593 1.00 13.13 C ATOM 1426 CG TRP A 91 -0.082 10.262 -5.691 1.00 43.01 C ATOM 1427 CD1 TRP A 91 -0.171 11.616 -5.845 1.00 43.12 C ATOM 1428 CD2 TRP A 91 0.702 9.782 -6.789 1.00 73.11 C ATOM 1429 NE1 TRP A 91 0.510 12.007 -6.973 1.00 23.41 N ATOM 1430 CE2 TRP A 91 1.055 10.900 -7.569 1.00 41.32 C ATOM 1431 CE3 TRP A 91 1.141 8.517 -7.188 1.00 72.31 C ATOM 1432 CZ2 TRP A 91 1.825 10.789 -8.724 1.00 21.21 C ATOM 1433 CZ3 TRP A 91 1.905 8.408 -8.335 1.00 33.35 C ATOM 1434 CH2 TRP A 91 2.241 9.538 -9.091 1.00 63.02 C ATOM 0 H TRP A 91 0.941 9.180 -2.232 1.00 11.42 H new ATOM 0 HA TRP A 91 -0.914 11.177 -3.348 1.00 41.33 H new ATOM 0 HB2 TRP A 91 -0.157 8.489 -4.529 1.00 13.13 H new ATOM 0 HB3 TRP A 91 -1.721 9.213 -4.846 1.00 13.13 H new ATOM 0 HD1 TRP A 91 -0.699 12.282 -5.178 1.00 43.12 H new ATOM 0 HE1 TRP A 91 0.596 12.965 -7.311 1.00 23.41 H new ATOM 0 HE3 TRP A 91 0.888 7.640 -6.611 1.00 72.31 H new ATOM 0 HZ2 TRP A 91 2.085 11.659 -9.309 1.00 21.21 H new ATOM 0 HZ3 TRP A 91 2.249 7.435 -8.653 1.00 33.35 H new ATOM 0 HH2 TRP A 91 2.840 9.420 -9.982 1.00 63.02 H new ATOM 1445 N GLU A 92 -2.732 10.191 -1.996 1.00 41.10 N ATOM 1446 CA GLU A 92 -3.768 9.681 -1.106 1.00 71.52 C ATOM 1447 C GLU A 92 -5.102 9.561 -1.837 1.00 73.31 C ATOM 1448 O GLU A 92 -5.490 10.451 -2.594 1.00 41.10 O ATOM 1449 CB GLU A 92 -3.921 10.594 0.112 1.00 54.24 C ATOM 1450 CG GLU A 92 -2.841 10.395 1.162 1.00 53.34 C ATOM 1451 CD GLU A 92 -2.978 11.354 2.328 1.00 34.14 C ATOM 1452 OE1 GLU A 92 -3.300 12.537 2.091 1.00 74.33 O ATOM 1453 OE2 GLU A 92 -2.764 10.920 3.480 1.00 44.41 O ATOM 0 H GLU A 92 -2.915 11.124 -2.366 1.00 41.10 H new ATOM 0 HA GLU A 92 -3.467 8.689 -0.771 1.00 71.52 H new ATOM 0 HB2 GLU A 92 -3.907 11.632 -0.219 1.00 54.24 H new ATOM 0 HB3 GLU A 92 -4.895 10.418 0.567 1.00 54.24 H new ATOM 0 HG2 GLU A 92 -2.883 9.371 1.532 1.00 53.34 H new ATOM 0 HG3 GLU A 92 -1.862 10.527 0.701 1.00 53.34 H new ATOM 1460 N TYR A 93 -5.800 8.454 -1.605 1.00 44.23 N ATOM 1461 CA TYR A 93 -7.089 8.215 -2.243 1.00 42.53 C ATOM 1462 C TYR A 93 -8.056 7.536 -1.279 1.00 13.10 C ATOM 1463 O TYR A 93 -7.646 6.959 -0.273 1.00 4.52 O ATOM 1464 CB TYR A 93 -6.910 7.355 -3.495 1.00 73.21 C ATOM 1465 CG TYR A 93 -6.134 8.041 -4.596 1.00 51.12 C ATOM 1466 CD1 TYR A 93 -6.751 8.956 -5.441 1.00 63.34 C ATOM 1467 CD2 TYR A 93 -4.785 7.775 -4.792 1.00 63.43 C ATOM 1468 CE1 TYR A 93 -6.046 9.585 -6.449 1.00 62.23 C ATOM 1469 CE2 TYR A 93 -4.072 8.400 -5.797 1.00 4.14 C ATOM 1470 CZ TYR A 93 -4.707 9.304 -6.623 1.00 5.15 C ATOM 1471 OH TYR A 93 -4.000 9.928 -7.625 1.00 40.10 O ATOM 0 H TYR A 93 -5.494 7.708 -0.980 1.00 44.23 H new ATOM 0 HA TYR A 93 -7.508 9.179 -2.530 1.00 42.53 H new ATOM 0 HB2 TYR A 93 -6.398 6.433 -3.222 1.00 73.21 H new ATOM 0 HB3 TYR A 93 -7.892 7.073 -3.875 1.00 73.21 H new ATOM 0 HD1 TYR A 93 -7.799 9.179 -5.307 1.00 63.34 H new ATOM 0 HD2 TYR A 93 -4.285 7.067 -4.148 1.00 63.43 H new ATOM 0 HE1 TYR A 93 -6.541 10.293 -7.097 1.00 62.23 H new ATOM 0 HE2 TYR A 93 -3.023 8.182 -5.935 1.00 4.14 H new ATOM 0 HH TYR A 93 -3.070 9.619 -7.610 1.00 40.10 H new ATOM 1481 N GLY A 94 -9.346 7.609 -1.595 1.00 62.45 N ATOM 1482 CA GLY A 94 -10.353 6.997 -0.749 1.00 20.53 C ATOM 1483 C GLY A 94 -10.985 7.987 0.209 1.00 53.03 C ATOM 1484 O GLY A 94 -11.080 9.176 -0.092 1.00 42.42 O ATOM 0 H GLY A 94 -9.711 8.081 -2.422 1.00 62.45 H new ATOM 0 HA2 GLY A 94 -11.129 6.555 -1.374 1.00 20.53 H new ATOM 0 HA3 GLY A 94 -9.901 6.184 -0.181 1.00 20.53 H new ATOM 1488 N GLU A 95 -11.421 7.495 1.365 1.00 43.25 N ATOM 1489 CA GLU A 95 -12.050 8.346 2.368 1.00 42.45 C ATOM 1490 C GLU A 95 -11.128 9.498 2.760 1.00 72.34 C ATOM 1491 O GLU A 95 -10.368 9.397 3.722 1.00 61.32 O ATOM 1492 CB GLU A 95 -12.416 7.527 3.607 1.00 61.01 C ATOM 1493 CG GLU A 95 -12.873 8.373 4.783 1.00 4.51 C ATOM 1494 CD GLU A 95 -13.955 7.698 5.603 1.00 61.04 C ATOM 1495 OE1 GLU A 95 -14.888 7.130 4.998 1.00 72.51 O ATOM 1496 OE2 GLU A 95 -13.869 7.738 6.848 1.00 71.24 O ATOM 0 H GLU A 95 -11.350 6.512 1.630 1.00 43.25 H new ATOM 0 HA GLU A 95 -12.960 8.762 1.935 1.00 42.45 H new ATOM 0 HB2 GLU A 95 -13.207 6.824 3.347 1.00 61.01 H new ATOM 0 HB3 GLU A 95 -11.552 6.936 3.910 1.00 61.01 H new ATOM 0 HG2 GLU A 95 -12.018 8.589 5.424 1.00 4.51 H new ATOM 0 HG3 GLU A 95 -13.245 9.329 4.415 1.00 4.51 H new TER 1503 GLU A 95