USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 848 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 95 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 96 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.47) USER MOD Set 2.1: A 44 SER OG : rot -105:sc= 0.495 USER MOD Set 2.2: A 58 HIS : no HD1:sc= 1.11 K(o=1.6,f=-3.4!) USER MOD Set 3.1: A 34 SER OG : rot -82:sc= 1.06 USER MOD Set 3.2: A 36 THR OG1 : rot 180:sc= 0.921 USER MOD Set 3.3: A 37 THR OG1 : rot -159:sc= -0.572 USER MOD Set 4.1: A 28 THR OG1 : rot 82:sc= 1.88 USER MOD Set 4.2: A 100 ASN : amide:sc= 0.723 K(o=2.6,f=1.4) USER MOD Single : A 1 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.016) USER MOD Single : A 1 GLN N :NH3+ -104:sc= 0.0182 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 1.28 (180deg=0.964) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0646 USER MOD Single : A 15 SER OG : rot -150:sc= -0.102 USER MOD Single : A 21 ASN : amide:sc= -0.061 K(o=-0.061,f=-0.97) USER MOD Single : A 24 ASN : amide:sc= 0.735 K(o=0.73,f=-5.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -127:sc= 0.681 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 112:sc= 0.209 USER MOD Single : A 50 ASN : amide:sc= 0.173 X(o=0.17,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 1.1 K(o=1.1,f=-0.78) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 0.149 (180deg=-0.53!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.361 USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= -0.0233 (180deg=-0.214) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= -0.0694 (180deg=-0.0694) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 73 SER OG : rot 180:sc= 0.00379 USER MOD Single : A 75 THR OG1 : rot -159:sc= 0.014 USER MOD Single : A 76 GLN : amide:sc= -0.71 K(o=-0.71,f=-1.7) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0616 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc=-0.00281 K(o=-0.0028,f=-1.6) USER MOD Single : A 82 GLN : amide:sc= -2.75! C(o=-2.7!,f=-8!) USER MOD Single : A 86 TYR OH : rot -132:sc= 1.24 USER MOD Single : A 87 TYR OH : rot 130:sc= -0.0539 USER MOD Single : A 88 SER OG : rot 180:sc=0.000375 USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= -0.0122 (180deg=-0.161) USER MOD Single : A 90 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.4!) USER MOD Single : A 99 THR OG1 : rot 37:sc= 1.52 USER MOD Single : A 102 CYS SG : rot -43:sc= -0.214 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 10.357 -5.958 -16.830 1.00 0.00 N ATOM 2 CA GLN A 1 9.133 -5.149 -16.623 1.00 0.00 C ATOM 3 C GLN A 1 8.695 -5.205 -15.170 1.00 0.00 C ATOM 4 O GLN A 1 8.821 -6.238 -14.513 1.00 0.00 O ATOM 5 CB GLN A 1 7.985 -5.637 -17.514 1.00 0.00 C ATOM 6 CG GLN A 1 8.169 -5.335 -18.988 1.00 0.00 C ATOM 7 CD GLN A 1 6.970 -5.744 -19.827 1.00 0.00 C ATOM 8 OE1 GLN A 1 7.112 -6.102 -20.997 1.00 0.00 O ATOM 9 NE2 GLN A 1 5.780 -5.697 -19.240 1.00 0.00 N ATOM 0 H1 GLN A 1 11.179 -5.327 -16.917 1.00 0.00 H new ATOM 0 H2 GLN A 1 10.494 -6.595 -16.019 1.00 0.00 H new ATOM 0 H3 GLN A 1 10.258 -6.521 -17.699 1.00 0.00 H new ATOM 0 HA GLN A 1 9.374 -4.121 -16.892 1.00 0.00 H new ATOM 0 HB2 GLN A 1 7.874 -6.714 -17.387 1.00 0.00 H new ATOM 0 HB3 GLN A 1 7.056 -5.178 -17.174 1.00 0.00 H new ATOM 0 HG2 GLN A 1 8.349 -4.268 -19.116 1.00 0.00 H new ATOM 0 HG3 GLN A 1 9.056 -5.854 -19.353 1.00 0.00 H new ATOM 0 HE21 GLN A 1 5.702 -5.395 -18.269 1.00 0.00 H new ATOM 0 HE22 GLN A 1 4.944 -5.963 -19.760 1.00 0.00 H new ATOM 20 N ALA A 2 8.173 -4.095 -14.680 1.00 0.00 N ATOM 21 CA ALA A 2 7.705 -4.011 -13.311 1.00 0.00 C ATOM 22 C ALA A 2 6.547 -3.035 -13.219 1.00 0.00 C ATOM 23 O ALA A 2 6.287 -2.272 -14.154 1.00 0.00 O ATOM 24 CB ALA A 2 8.835 -3.585 -12.387 1.00 0.00 C ATOM 0 H ALA A 2 8.063 -3.234 -15.216 1.00 0.00 H new ATOM 0 HA ALA A 2 7.360 -4.996 -12.996 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.466 -3.527 -11.363 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.643 -4.314 -12.440 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.207 -2.608 -12.694 1.00 0.00 H new ATOM 30 N GLU A 3 5.847 -3.071 -12.103 1.00 0.00 N ATOM 31 CA GLU A 3 4.753 -2.151 -11.863 1.00 0.00 C ATOM 32 C GLU A 3 5.074 -1.315 -10.633 1.00 0.00 C ATOM 33 O GLU A 3 5.331 -1.854 -9.559 1.00 0.00 O ATOM 34 CB GLU A 3 3.439 -2.921 -11.712 1.00 0.00 C ATOM 35 CG GLU A 3 3.148 -3.801 -12.922 1.00 0.00 C ATOM 36 CD GLU A 3 1.811 -4.501 -12.854 1.00 0.00 C ATOM 37 OE1 GLU A 3 1.698 -5.516 -12.141 1.00 0.00 O ATOM 38 OE2 GLU A 3 0.873 -4.060 -13.551 1.00 0.00 O ATOM 0 H GLU A 3 6.017 -3.731 -11.344 1.00 0.00 H new ATOM 0 HA GLU A 3 4.630 -1.478 -12.711 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.483 -3.540 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.620 -2.216 -11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.182 -3.188 -13.823 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.936 -4.549 -13.015 1.00 0.00 H new ATOM 45 N GLU A 4 5.076 0.001 -10.817 1.00 0.00 N ATOM 46 CA GLU A 4 5.631 0.941 -9.838 1.00 0.00 C ATOM 47 C GLU A 4 5.047 0.769 -8.433 1.00 0.00 C ATOM 48 O GLU A 4 5.751 0.962 -7.444 1.00 0.00 O ATOM 49 CB GLU A 4 5.406 2.379 -10.310 1.00 0.00 C ATOM 50 CG GLU A 4 5.908 2.655 -11.720 1.00 0.00 C ATOM 51 CD GLU A 4 7.378 2.322 -11.908 1.00 0.00 C ATOM 52 OE1 GLU A 4 8.236 3.033 -11.343 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.681 1.358 -12.643 1.00 0.00 O ATOM 0 H GLU A 4 4.693 0.451 -11.649 1.00 0.00 H new ATOM 0 HA GLU A 4 6.697 0.722 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.340 2.602 -10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.904 3.059 -9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.317 2.075 -12.429 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.747 3.707 -11.956 1.00 0.00 H new ATOM 60 N TRP A 5 3.771 0.415 -8.347 1.00 0.00 N ATOM 61 CA TRP A 5 3.098 0.282 -7.056 1.00 0.00 C ATOM 62 C TRP A 5 3.375 -1.076 -6.404 1.00 0.00 C ATOM 63 O TRP A 5 3.510 -1.173 -5.184 1.00 0.00 O ATOM 64 CB TRP A 5 1.586 0.512 -7.214 1.00 0.00 C ATOM 65 CG TRP A 5 0.993 -0.131 -8.434 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.917 0.410 -9.687 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.388 -1.429 -8.522 1.00 0.00 C ATOM 68 NE1 TRP A 5 0.317 -0.475 -10.546 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.021 -1.609 -9.856 1.00 0.00 C ATOM 70 CE3 TRP A 5 0.155 -2.459 -7.605 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.647 -2.772 -10.295 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.467 -3.613 -8.043 1.00 0.00 C ATOM 73 CH2 TRP A 5 -0.861 -3.761 -9.378 1.00 0.00 C ATOM 0 H TRP A 5 3.180 0.214 -9.154 1.00 0.00 H new ATOM 0 HA TRP A 5 3.503 1.047 -6.393 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.077 0.128 -6.330 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.394 1.584 -7.252 1.00 0.00 H new ATOM 0 HD1 TRP A 5 1.277 1.391 -9.961 1.00 0.00 H new ATOM 0 HE1 TRP A 5 0.149 -0.314 -11.539 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.456 -2.355 -6.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.953 -2.888 -11.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.652 -4.414 -7.343 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.344 -4.676 -9.689 1.00 0.00 H new ATOM 84 N TYR A 6 3.471 -2.114 -7.225 1.00 0.00 N ATOM 85 CA TYR A 6 3.683 -3.474 -6.744 1.00 0.00 C ATOM 86 C TYR A 6 5.171 -3.762 -6.579 1.00 0.00 C ATOM 87 O TYR A 6 5.903 -3.892 -7.559 1.00 0.00 O ATOM 88 CB TYR A 6 3.057 -4.473 -7.726 1.00 0.00 C ATOM 89 CG TYR A 6 3.043 -5.904 -7.236 1.00 0.00 C ATOM 90 CD1 TYR A 6 2.122 -6.321 -6.285 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.943 -6.839 -7.734 1.00 0.00 C ATOM 92 CE1 TYR A 6 2.098 -7.629 -5.841 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.924 -8.149 -7.293 1.00 0.00 C ATOM 94 CZ TYR A 6 3.002 -8.539 -6.346 1.00 0.00 C ATOM 95 OH TYR A 6 2.985 -9.842 -5.904 1.00 0.00 O ATOM 0 H TYR A 6 3.404 -2.038 -8.240 1.00 0.00 H new ATOM 0 HA TYR A 6 3.205 -3.579 -5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.033 -4.164 -7.937 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.604 -4.429 -8.668 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.413 -5.611 -5.886 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.667 -6.538 -8.476 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.374 -7.937 -5.101 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.629 -8.864 -7.689 1.00 0.00 H new ATOM 0 HH TYR A 6 3.686 -10.352 -6.361 1.00 0.00 H new ATOM 105 N PHE A 7 5.613 -3.869 -5.335 1.00 0.00 N ATOM 106 CA PHE A 7 7.021 -4.123 -5.044 1.00 0.00 C ATOM 107 C PHE A 7 7.275 -5.604 -4.801 1.00 0.00 C ATOM 108 O PHE A 7 8.281 -5.981 -4.202 1.00 0.00 O ATOM 109 CB PHE A 7 7.483 -3.302 -3.837 1.00 0.00 C ATOM 110 CG PHE A 7 7.774 -1.865 -4.162 1.00 0.00 C ATOM 111 CD1 PHE A 7 6.748 -0.948 -4.314 1.00 0.00 C ATOM 112 CD2 PHE A 7 9.080 -1.433 -4.324 1.00 0.00 C ATOM 113 CE1 PHE A 7 7.017 0.372 -4.617 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.356 -0.115 -4.630 1.00 0.00 C ATOM 115 CZ PHE A 7 8.323 0.789 -4.776 1.00 0.00 C ATOM 0 H PHE A 7 5.020 -3.784 -4.510 1.00 0.00 H new ATOM 0 HA PHE A 7 7.599 -3.817 -5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.714 -3.343 -3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.379 -3.760 -3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.724 -1.269 -4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.892 -2.135 -4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.207 1.077 -4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.379 0.208 -4.755 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.536 1.821 -5.014 1.00 0.00 H new ATOM 125 N GLY A 8 6.359 -6.438 -5.272 1.00 0.00 N ATOM 126 CA GLY A 8 6.519 -7.872 -5.140 1.00 0.00 C ATOM 127 C GLY A 8 6.480 -8.325 -3.697 1.00 0.00 C ATOM 128 O GLY A 8 5.710 -7.801 -2.894 1.00 0.00 O ATOM 0 H GLY A 8 5.504 -6.146 -5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.730 -8.376 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.467 -8.172 -5.587 1.00 0.00 H new ATOM 132 N LYS A 9 7.315 -9.292 -3.364 1.00 0.00 N ATOM 133 CA LYS A 9 7.354 -9.824 -2.013 1.00 0.00 C ATOM 134 C LYS A 9 8.610 -9.368 -1.288 1.00 0.00 C ATOM 135 O LYS A 9 9.641 -10.041 -1.314 1.00 0.00 O ATOM 136 CB LYS A 9 7.273 -11.350 -2.032 1.00 0.00 C ATOM 137 CG LYS A 9 5.958 -11.871 -2.585 1.00 0.00 C ATOM 138 CD LYS A 9 5.859 -13.381 -2.487 1.00 0.00 C ATOM 139 CE LYS A 9 6.865 -14.067 -3.391 1.00 0.00 C ATOM 140 NZ LYS A 9 6.744 -15.543 -3.314 1.00 0.00 N ATOM 0 H LYS A 9 7.975 -9.725 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 9 6.489 -9.439 -1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.094 -11.744 -2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.409 -11.728 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.130 -11.417 -2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.857 -11.568 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.026 -13.691 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.852 -13.698 -2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.713 -13.741 -4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.874 -13.768 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.335 -15.979 -4.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.060 -15.869 -2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.752 -15.818 -3.459 1.00 0.00 H new ATOM 154 N ILE A 10 8.520 -8.210 -0.655 1.00 0.00 N ATOM 155 CA ILE A 10 9.618 -7.685 0.133 1.00 0.00 C ATOM 156 C ILE A 10 9.345 -7.884 1.619 1.00 0.00 C ATOM 157 O ILE A 10 8.192 -8.006 2.045 1.00 0.00 O ATOM 158 CB ILE A 10 9.862 -6.187 -0.149 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.607 -5.362 0.160 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.298 -5.988 -1.595 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.801 -3.872 -0.008 1.00 0.00 C ATOM 0 H ILE A 10 7.692 -7.614 -0.673 1.00 0.00 H new ATOM 0 HA ILE A 10 10.514 -8.235 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 10 10.661 -5.838 0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.798 -5.690 -0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.293 -5.565 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.467 -4.927 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.220 -6.540 -1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.519 -6.354 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.871 -3.355 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.587 -3.529 0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.085 -3.656 -1.038 1.00 0.00 H new ATOM 173 N THR A 11 10.410 -7.924 2.396 1.00 0.00 N ATOM 174 CA THR A 11 10.306 -8.119 3.828 1.00 0.00 C ATOM 175 C THR A 11 10.059 -6.796 4.548 1.00 0.00 C ATOM 176 O THR A 11 10.068 -5.733 3.919 1.00 0.00 O ATOM 177 CB THR A 11 11.577 -8.791 4.374 1.00 0.00 C ATOM 178 OG1 THR A 11 12.726 -8.287 3.677 1.00 0.00 O ATOM 179 CG2 THR A 11 11.499 -10.304 4.221 1.00 0.00 C ATOM 0 H THR A 11 11.366 -7.823 2.055 1.00 0.00 H new ATOM 0 HA THR A 11 9.454 -8.772 4.015 1.00 0.00 H new ATOM 0 HB THR A 11 11.664 -8.559 5.436 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.535 -8.715 4.027 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.409 -10.757 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.638 -10.682 4.773 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.394 -10.558 3.166 1.00 0.00 H new ATOM 187 N ARG A 12 9.839 -6.859 5.854 1.00 0.00 N ATOM 188 CA ARG A 12 9.530 -5.668 6.638 1.00 0.00 C ATOM 189 C ARG A 12 10.655 -4.647 6.550 1.00 0.00 C ATOM 190 O ARG A 12 10.411 -3.475 6.273 1.00 0.00 O ATOM 191 CB ARG A 12 9.279 -6.041 8.098 1.00 0.00 C ATOM 192 CG ARG A 12 8.054 -6.918 8.302 1.00 0.00 C ATOM 193 CD ARG A 12 7.977 -7.428 9.729 1.00 0.00 C ATOM 194 NE ARG A 12 9.172 -8.186 10.090 1.00 0.00 N ATOM 195 CZ ARG A 12 9.152 -9.354 10.725 1.00 0.00 C ATOM 196 NH1 ARG A 12 8.000 -9.928 11.047 1.00 0.00 N ATOM 197 NH2 ARG A 12 10.295 -9.957 11.015 1.00 0.00 N ATOM 0 H ARG A 12 9.869 -7.723 6.395 1.00 0.00 H new ATOM 0 HA ARG A 12 8.626 -5.221 6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.155 -6.560 8.487 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.163 -5.128 8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.154 -6.350 8.067 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.088 -7.762 7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.858 -6.587 10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.096 -8.059 9.844 1.00 0.00 H new ATOM 0 HE ARG A 12 10.080 -7.794 9.839 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.119 -9.473 10.807 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.995 -10.824 11.534 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.181 -9.525 10.751 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.290 -10.853 11.502 1.00 0.00 H new ATOM 211 N ARG A 13 11.886 -5.109 6.756 1.00 0.00 N ATOM 212 CA ARG A 13 13.052 -4.228 6.730 1.00 0.00 C ATOM 213 C ARG A 13 13.122 -3.452 5.419 1.00 0.00 C ATOM 214 O ARG A 13 13.397 -2.255 5.421 1.00 0.00 O ATOM 215 CB ARG A 13 14.341 -5.026 6.923 1.00 0.00 C ATOM 216 CG ARG A 13 15.594 -4.166 6.884 1.00 0.00 C ATOM 217 CD ARG A 13 16.852 -5.002 6.712 1.00 0.00 C ATOM 218 NE ARG A 13 17.082 -5.907 7.836 1.00 0.00 N ATOM 219 CZ ARG A 13 18.042 -6.832 7.857 1.00 0.00 C ATOM 220 NH1 ARG A 13 18.840 -6.990 6.806 1.00 0.00 N ATOM 221 NH2 ARG A 13 18.202 -7.598 8.927 1.00 0.00 N ATOM 0 H ARG A 13 12.102 -6.088 6.943 1.00 0.00 H new ATOM 0 HA ARG A 13 12.947 -3.520 7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 13 14.297 -5.548 7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.408 -5.788 6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.518 -3.452 6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.666 -3.588 7.805 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.775 -5.582 5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.711 -4.341 6.601 1.00 0.00 H new ATOM 0 HE ARG A 13 16.474 -5.826 8.651 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.719 -6.403 5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.574 -7.698 6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.591 -7.480 9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.937 -8.305 8.942 1.00 0.00 H new ATOM 235 N GLU A 14 12.866 -4.138 4.309 1.00 0.00 N ATOM 236 CA GLU A 14 12.859 -3.500 2.998 1.00 0.00 C ATOM 237 C GLU A 14 11.860 -2.344 2.966 1.00 0.00 C ATOM 238 O GLU A 14 12.206 -1.216 2.612 1.00 0.00 O ATOM 239 CB GLU A 14 12.497 -4.518 1.912 1.00 0.00 C ATOM 240 CG GLU A 14 13.547 -5.593 1.687 1.00 0.00 C ATOM 241 CD GLU A 14 14.811 -5.056 1.043 1.00 0.00 C ATOM 242 OE1 GLU A 14 14.766 -4.687 -0.150 1.00 0.00 O ATOM 243 OE2 GLU A 14 15.856 -5.007 1.720 1.00 0.00 O ATOM 0 H GLU A 14 12.661 -5.137 4.292 1.00 0.00 H new ATOM 0 HA GLU A 14 13.859 -3.110 2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.555 -4.997 2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.330 -3.988 0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.799 -6.054 2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.128 -6.377 1.056 1.00 0.00 H new ATOM 250 N SER A 15 10.629 -2.635 3.366 1.00 0.00 N ATOM 251 CA SER A 15 9.554 -1.659 3.313 1.00 0.00 C ATOM 252 C SER A 15 9.795 -0.518 4.304 1.00 0.00 C ATOM 253 O SER A 15 9.696 0.655 3.945 1.00 0.00 O ATOM 254 CB SER A 15 8.214 -2.345 3.603 1.00 0.00 C ATOM 255 OG SER A 15 7.122 -1.470 3.383 1.00 0.00 O ATOM 0 H SER A 15 10.351 -3.546 3.733 1.00 0.00 H new ATOM 0 HA SER A 15 9.527 -1.230 2.311 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.110 -3.225 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.199 -2.694 4.636 1.00 0.00 H new ATOM 0 HG SER A 15 6.385 -1.710 3.983 1.00 0.00 H new ATOM 261 N GLU A 16 10.130 -0.867 5.539 1.00 0.00 N ATOM 262 CA GLU A 16 10.299 0.126 6.591 1.00 0.00 C ATOM 263 C GLU A 16 11.498 1.031 6.321 1.00 0.00 C ATOM 264 O GLU A 16 11.412 2.241 6.500 1.00 0.00 O ATOM 265 CB GLU A 16 10.440 -0.550 7.955 1.00 0.00 C ATOM 266 CG GLU A 16 9.171 -1.256 8.411 1.00 0.00 C ATOM 267 CD GLU A 16 9.294 -1.857 9.795 1.00 0.00 C ATOM 268 OE1 GLU A 16 9.031 -1.140 10.786 1.00 0.00 O ATOM 269 OE2 GLU A 16 9.634 -3.056 9.902 1.00 0.00 O ATOM 0 H GLU A 16 10.290 -1.829 5.837 1.00 0.00 H new ATOM 0 HA GLU A 16 9.405 0.749 6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.254 -1.273 7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.718 0.199 8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.343 -0.547 8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.924 -2.044 7.699 1.00 0.00 H new ATOM 276 N ARG A 17 12.605 0.448 5.868 1.00 0.00 N ATOM 277 CA ARG A 17 13.810 1.222 5.577 1.00 0.00 C ATOM 278 C ARG A 17 13.516 2.342 4.585 1.00 0.00 C ATOM 279 O ARG A 17 13.995 3.464 4.741 1.00 0.00 O ATOM 280 CB ARG A 17 14.914 0.320 5.018 1.00 0.00 C ATOM 281 CG ARG A 17 16.171 1.072 4.611 1.00 0.00 C ATOM 282 CD ARG A 17 17.179 0.151 3.950 1.00 0.00 C ATOM 283 NE ARG A 17 16.635 -0.496 2.755 1.00 0.00 N ATOM 284 CZ ARG A 17 17.329 -1.331 1.985 1.00 0.00 C ATOM 285 NH1 ARG A 17 18.612 -1.554 2.234 1.00 0.00 N ATOM 286 NH2 ARG A 17 16.750 -1.919 0.946 1.00 0.00 N ATOM 0 H ARG A 17 12.693 -0.553 5.695 1.00 0.00 H new ATOM 0 HA ARG A 17 14.150 1.663 6.514 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.175 -0.427 5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.527 -0.219 4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.909 1.878 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.620 1.535 5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 17 18.068 0.722 3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 17 17.494 -0.611 4.662 1.00 0.00 H new ATOM 0 HE ARG A 17 15.669 -0.295 2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 17 19.069 -1.085 3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 17 19.142 -2.194 1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.770 -1.732 0.735 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.285 -2.558 0.358 1.00 0.00 H new ATOM 300 N LEU A 18 12.716 2.032 3.573 1.00 0.00 N ATOM 301 CA LEU A 18 12.408 2.993 2.524 1.00 0.00 C ATOM 302 C LEU A 18 11.444 4.064 3.019 1.00 0.00 C ATOM 303 O LEU A 18 11.648 5.250 2.771 1.00 0.00 O ATOM 304 CB LEU A 18 11.810 2.282 1.309 1.00 0.00 C ATOM 305 CG LEU A 18 12.737 1.278 0.619 1.00 0.00 C ATOM 306 CD1 LEU A 18 12.024 0.604 -0.544 1.00 0.00 C ATOM 307 CD2 LEU A 18 14.004 1.967 0.135 1.00 0.00 C ATOM 0 H LEU A 18 12.269 1.122 3.457 1.00 0.00 H new ATOM 0 HA LEU A 18 13.341 3.478 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.905 1.761 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.509 3.034 0.580 1.00 0.00 H new ATOM 0 HG LEU A 18 13.014 0.513 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.699 -0.106 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.144 0.077 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.718 1.358 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.651 1.238 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.743 2.752 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.527 2.405 0.985 1.00 0.00 H new ATOM 319 N LEU A 19 10.410 3.643 3.737 1.00 0.00 N ATOM 320 CA LEU A 19 9.342 4.553 4.136 1.00 0.00 C ATOM 321 C LEU A 19 9.739 5.424 5.326 1.00 0.00 C ATOM 322 O LEU A 19 9.212 6.524 5.493 1.00 0.00 O ATOM 323 CB LEU A 19 8.070 3.770 4.464 1.00 0.00 C ATOM 324 CG LEU A 19 7.516 2.907 3.327 1.00 0.00 C ATOM 325 CD1 LEU A 19 6.232 2.224 3.761 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.273 3.742 2.077 1.00 0.00 C ATOM 0 H LEU A 19 10.288 2.681 4.054 1.00 0.00 H new ATOM 0 HA LEU A 19 9.154 5.216 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.271 3.126 5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.298 4.476 4.770 1.00 0.00 H new ATOM 0 HG LEU A 19 8.257 2.145 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.850 1.614 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.431 1.589 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.491 2.978 4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.880 3.105 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.554 4.530 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.212 4.190 1.750 1.00 0.00 H new ATOM 338 N LEU A 20 10.662 4.939 6.154 1.00 0.00 N ATOM 339 CA LEU A 20 11.123 5.708 7.309 1.00 0.00 C ATOM 340 C LEU A 20 12.173 6.740 6.909 1.00 0.00 C ATOM 341 O LEU A 20 12.740 7.425 7.761 1.00 0.00 O ATOM 342 CB LEU A 20 11.681 4.791 8.407 1.00 0.00 C ATOM 343 CG LEU A 20 10.659 4.283 9.432 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.959 5.449 10.114 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.642 3.358 8.782 1.00 0.00 C ATOM 0 H LEU A 20 11.103 4.025 6.049 1.00 0.00 H new ATOM 0 HA LEU A 20 10.255 6.234 7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.150 3.930 7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.466 5.328 8.939 1.00 0.00 H new ATOM 0 HG LEU A 20 11.199 3.712 10.187 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.238 5.068 10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.696 6.066 10.627 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.440 6.049 9.367 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.931 3.014 9.533 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.110 3.896 7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.156 2.500 8.349 1.00 0.00 H new ATOM 357 N ASN A 21 12.444 6.842 5.615 1.00 0.00 N ATOM 358 CA ASN A 21 13.325 7.885 5.111 1.00 0.00 C ATOM 359 C ASN A 21 12.598 9.221 5.143 1.00 0.00 C ATOM 360 O ASN A 21 11.419 9.294 4.784 1.00 0.00 O ATOM 361 CB ASN A 21 13.786 7.583 3.678 1.00 0.00 C ATOM 362 CG ASN A 21 14.741 6.409 3.594 1.00 0.00 C ATOM 363 OD1 ASN A 21 15.493 6.132 4.527 1.00 0.00 O ATOM 364 ND2 ASN A 21 14.731 5.718 2.465 1.00 0.00 N ATOM 0 H ASN A 21 12.069 6.219 4.900 1.00 0.00 H new ATOM 0 HA ASN A 21 14.208 7.925 5.749 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.913 7.378 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.270 8.468 3.265 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.362 4.925 2.347 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.093 5.978 1.713 1.00 0.00 H new ATOM 371 N PRO A 22 13.280 10.298 5.561 1.00 0.00 N ATOM 372 CA PRO A 22 12.683 11.641 5.639 1.00 0.00 C ATOM 373 C PRO A 22 12.475 12.264 4.259 1.00 0.00 C ATOM 374 O PRO A 22 12.521 13.484 4.095 1.00 0.00 O ATOM 375 CB PRO A 22 13.719 12.437 6.436 1.00 0.00 C ATOM 376 CG PRO A 22 15.010 11.758 6.145 1.00 0.00 C ATOM 377 CD PRO A 22 14.687 10.296 6.001 1.00 0.00 C ATOM 0 HA PRO A 22 11.693 11.625 6.094 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.741 13.482 6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.495 12.425 7.503 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.460 12.150 5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.727 11.922 6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 22 15.335 9.811 5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.813 9.762 6.943 1.00 0.00 H new ATOM 385 N GLU A 23 12.240 11.411 3.277 1.00 0.00 N ATOM 386 CA GLU A 23 12.055 11.831 1.901 1.00 0.00 C ATOM 387 C GLU A 23 10.689 11.376 1.404 1.00 0.00 C ATOM 388 O GLU A 23 10.362 11.503 0.223 1.00 0.00 O ATOM 389 CB GLU A 23 13.164 11.234 1.034 1.00 0.00 C ATOM 390 CG GLU A 23 14.559 11.599 1.516 1.00 0.00 C ATOM 391 CD GLU A 23 15.651 10.859 0.776 1.00 0.00 C ATOM 392 OE1 GLU A 23 16.062 11.327 -0.306 1.00 0.00 O ATOM 393 OE2 GLU A 23 16.121 9.818 1.281 1.00 0.00 O ATOM 0 H GLU A 23 12.172 10.403 3.414 1.00 0.00 H new ATOM 0 HA GLU A 23 12.104 12.918 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.063 10.149 1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.039 11.578 0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.710 12.672 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.638 11.382 2.581 1.00 0.00 H new ATOM 400 N ASN A 24 9.893 10.847 2.323 1.00 0.00 N ATOM 401 CA ASN A 24 8.576 10.335 1.985 1.00 0.00 C ATOM 402 C ASN A 24 7.494 11.260 2.509 1.00 0.00 C ATOM 403 O ASN A 24 7.358 11.452 3.719 1.00 0.00 O ATOM 404 CB ASN A 24 8.358 8.934 2.569 1.00 0.00 C ATOM 405 CG ASN A 24 9.305 7.895 2.008 1.00 0.00 C ATOM 406 OD1 ASN A 24 9.039 7.286 0.976 1.00 0.00 O ATOM 407 ND2 ASN A 24 10.410 7.671 2.697 1.00 0.00 N ATOM 0 H ASN A 24 10.139 10.762 3.309 1.00 0.00 H new ATOM 0 HA ASN A 24 8.518 10.280 0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.478 8.977 3.652 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.332 8.623 2.374 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.078 6.971 2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.595 8.198 3.550 1.00 0.00 H new ATOM 414 N PRO A 25 6.732 11.876 1.602 1.00 0.00 N ATOM 415 CA PRO A 25 5.534 12.631 1.966 1.00 0.00 C ATOM 416 C PRO A 25 4.441 11.690 2.459 1.00 0.00 C ATOM 417 O PRO A 25 4.340 10.554 1.987 1.00 0.00 O ATOM 418 CB PRO A 25 5.119 13.293 0.648 1.00 0.00 C ATOM 419 CG PRO A 25 5.685 12.407 -0.409 1.00 0.00 C ATOM 420 CD PRO A 25 6.978 11.893 0.148 1.00 0.00 C ATOM 0 HA PRO A 25 5.706 13.348 2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.035 13.367 0.565 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.514 14.306 0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.004 11.588 -0.640 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.848 12.957 -1.336 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.214 10.899 -0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.815 12.541 -0.112 1.00 0.00 H new ATOM 428 N ARG A 26 3.642 12.142 3.417 1.00 0.00 N ATOM 429 CA ARG A 26 2.554 11.325 3.935 1.00 0.00 C ATOM 430 C ARG A 26 1.583 10.999 2.808 1.00 0.00 C ATOM 431 O ARG A 26 0.932 11.890 2.259 1.00 0.00 O ATOM 432 CB ARG A 26 1.821 12.038 5.069 1.00 0.00 C ATOM 433 CG ARG A 26 0.778 11.170 5.757 1.00 0.00 C ATOM 434 CD ARG A 26 -0.093 11.995 6.684 1.00 0.00 C ATOM 435 NE ARG A 26 -0.808 13.033 5.945 1.00 0.00 N ATOM 436 CZ ARG A 26 -1.320 14.130 6.492 1.00 0.00 C ATOM 437 NH1 ARG A 26 -1.207 14.345 7.798 1.00 0.00 N ATOM 438 NH2 ARG A 26 -1.941 15.011 5.718 1.00 0.00 N ATOM 0 H ARG A 26 3.726 13.063 3.848 1.00 0.00 H new ATOM 0 HA ARG A 26 2.974 10.402 4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.549 12.372 5.808 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.336 12.930 4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.156 10.681 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.273 10.382 6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.808 11.346 7.190 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.524 12.453 7.457 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.922 12.907 4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.725 13.666 8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.602 15.189 8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.021 14.842 4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.338 15.857 6.126 1.00 0.00 H new ATOM 452 N GLY A 27 1.494 9.728 2.469 1.00 0.00 N ATOM 453 CA GLY A 27 0.724 9.324 1.311 1.00 0.00 C ATOM 454 C GLY A 27 1.573 8.545 0.329 1.00 0.00 C ATOM 455 O GLY A 27 1.129 8.233 -0.779 1.00 0.00 O ATOM 0 H GLY A 27 1.942 8.963 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.121 8.713 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.313 10.206 0.820 1.00 0.00 H new ATOM 459 N THR A 28 2.805 8.257 0.736 1.00 0.00 N ATOM 460 CA THR A 28 3.709 7.434 -0.052 1.00 0.00 C ATOM 461 C THR A 28 3.449 5.957 0.216 1.00 0.00 C ATOM 462 O THR A 28 3.700 5.465 1.310 1.00 0.00 O ATOM 463 CB THR A 28 5.177 7.771 0.261 1.00 0.00 C ATOM 464 OG1 THR A 28 5.426 9.146 -0.043 1.00 0.00 O ATOM 465 CG2 THR A 28 6.127 6.896 -0.537 1.00 0.00 C ATOM 0 H THR A 28 3.201 8.586 1.616 1.00 0.00 H new ATOM 0 HA THR A 28 3.524 7.645 -1.105 1.00 0.00 H new ATOM 0 HB THR A 28 5.351 7.584 1.321 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.121 9.706 0.701 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.156 7.159 -0.293 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.952 5.849 -0.290 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.956 7.051 -1.602 1.00 0.00 H new ATOM 473 N PHE A 29 2.949 5.254 -0.783 1.00 0.00 N ATOM 474 CA PHE A 29 2.490 3.887 -0.587 1.00 0.00 C ATOM 475 C PHE A 29 3.296 2.889 -1.406 1.00 0.00 C ATOM 476 O PHE A 29 3.925 3.246 -2.402 1.00 0.00 O ATOM 477 CB PHE A 29 1.017 3.778 -0.977 1.00 0.00 C ATOM 478 CG PHE A 29 0.769 3.971 -2.452 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.742 5.241 -3.008 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.562 2.878 -3.281 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.513 5.416 -4.359 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.333 3.048 -4.631 1.00 0.00 C ATOM 483 CZ PHE A 29 0.307 4.318 -5.171 1.00 0.00 C ATOM 0 H PHE A 29 2.850 5.603 -1.736 1.00 0.00 H new ATOM 0 HA PHE A 29 2.625 3.646 0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.642 2.799 -0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.446 4.521 -0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.902 6.103 -2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.580 1.882 -2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.495 6.410 -4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.174 2.188 -5.265 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.126 4.453 -6.227 1.00 0.00 H new ATOM 493 N LEU A 30 3.262 1.639 -0.969 1.00 0.00 N ATOM 494 CA LEU A 30 3.796 0.532 -1.742 1.00 0.00 C ATOM 495 C LEU A 30 3.069 -0.746 -1.332 1.00 0.00 C ATOM 496 O LEU A 30 2.789 -0.953 -0.151 1.00 0.00 O ATOM 497 CB LEU A 30 5.318 0.389 -1.552 1.00 0.00 C ATOM 498 CG LEU A 30 5.804 -0.334 -0.286 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.319 -0.466 -0.304 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.364 0.394 0.972 1.00 0.00 C ATOM 0 H LEU A 30 2.864 1.366 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 30 3.631 0.724 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.718 -0.140 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.754 1.388 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 30 5.355 -1.327 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.650 -0.980 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.624 -1.038 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.770 0.525 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.724 -0.144 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.776 1.403 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.276 0.446 1.000 1.00 0.00 H new ATOM 512 N VAL A 31 2.722 -1.579 -2.296 1.00 0.00 N ATOM 513 CA VAL A 31 2.006 -2.804 -1.992 1.00 0.00 C ATOM 514 C VAL A 31 2.906 -4.020 -2.180 1.00 0.00 C ATOM 515 O VAL A 31 3.419 -4.278 -3.271 1.00 0.00 O ATOM 516 CB VAL A 31 0.706 -2.945 -2.825 1.00 0.00 C ATOM 517 CG1 VAL A 31 0.959 -2.707 -4.295 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.068 -4.308 -2.603 1.00 0.00 C ATOM 0 H VAL A 31 2.922 -1.432 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 31 1.711 -2.751 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 31 0.011 -2.178 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.025 -2.814 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.352 -1.700 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.683 -3.434 -4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.843 -4.385 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.765 -5.090 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.176 -4.428 -1.548 1.00 0.00 H new ATOM 528 N ARG A 32 3.120 -4.741 -1.090 1.00 0.00 N ATOM 529 CA ARG A 32 3.935 -5.941 -1.115 1.00 0.00 C ATOM 530 C ARG A 32 3.058 -7.166 -0.889 1.00 0.00 C ATOM 531 O ARG A 32 2.034 -7.085 -0.212 1.00 0.00 O ATOM 532 CB ARG A 32 5.028 -5.868 -0.043 1.00 0.00 C ATOM 533 CG ARG A 32 4.502 -5.951 1.381 1.00 0.00 C ATOM 534 CD ARG A 32 5.619 -5.808 2.401 1.00 0.00 C ATOM 535 NE ARG A 32 5.147 -6.065 3.760 1.00 0.00 N ATOM 536 CZ ARG A 32 4.801 -5.112 4.624 1.00 0.00 C ATOM 537 NH1 ARG A 32 4.911 -3.834 4.289 1.00 0.00 N ATOM 538 NH2 ARG A 32 4.355 -5.445 5.828 1.00 0.00 N ATOM 0 H ARG A 32 2.737 -4.512 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 32 4.414 -6.021 -2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.737 -6.680 -0.206 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.579 -4.935 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.760 -5.169 1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.996 -6.905 1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.424 -6.501 2.158 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.036 -4.803 2.345 1.00 0.00 H new ATOM 0 HE ARG A 32 5.078 -7.035 4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.262 -3.577 3.366 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.645 -3.108 4.954 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.278 -6.428 6.089 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.089 -4.718 6.492 1.00 0.00 H new ATOM 552 N GLU A 33 3.449 -8.288 -1.468 1.00 0.00 N ATOM 553 CA GLU A 33 2.714 -9.530 -1.295 1.00 0.00 C ATOM 554 C GLU A 33 3.288 -10.317 -0.124 1.00 0.00 C ATOM 555 O GLU A 33 4.504 -10.501 -0.025 1.00 0.00 O ATOM 556 CB GLU A 33 2.773 -10.366 -2.578 1.00 0.00 C ATOM 557 CG GLU A 33 1.970 -11.659 -2.517 1.00 0.00 C ATOM 558 CD GLU A 33 2.014 -12.433 -3.821 1.00 0.00 C ATOM 559 OE1 GLU A 33 3.008 -13.152 -4.057 1.00 0.00 O ATOM 560 OE2 GLU A 33 1.063 -12.315 -4.624 1.00 0.00 O ATOM 0 H GLU A 33 4.273 -8.365 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 33 1.671 -9.295 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.407 -9.763 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.814 -10.607 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.357 -12.285 -1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.934 -11.428 -2.270 1.00 0.00 H new ATOM 567 N SER A 34 2.417 -10.759 0.768 1.00 0.00 N ATOM 568 CA SER A 34 2.838 -11.551 1.908 1.00 0.00 C ATOM 569 C SER A 34 2.403 -12.998 1.703 1.00 0.00 C ATOM 570 O SER A 34 1.248 -13.356 1.964 1.00 0.00 O ATOM 571 CB SER A 34 2.244 -10.976 3.200 1.00 0.00 C ATOM 572 OG SER A 34 2.953 -11.428 4.347 1.00 0.00 O ATOM 0 H SER A 34 1.414 -10.582 0.723 1.00 0.00 H new ATOM 0 HA SER A 34 3.924 -11.519 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.271 -9.887 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.197 -11.267 3.281 1.00 0.00 H new ATOM 0 HG SER A 34 2.638 -12.323 4.595 1.00 0.00 H new ATOM 578 N GLU A 35 3.336 -13.829 1.240 1.00 0.00 N ATOM 579 CA GLU A 35 3.018 -15.208 0.874 1.00 0.00 C ATOM 580 C GLU A 35 2.755 -16.064 2.108 1.00 0.00 C ATOM 581 O GLU A 35 2.430 -17.248 1.998 1.00 0.00 O ATOM 582 CB GLU A 35 4.135 -15.824 0.027 1.00 0.00 C ATOM 583 CG GLU A 35 5.472 -15.921 0.739 1.00 0.00 C ATOM 584 CD GLU A 35 6.509 -16.633 -0.098 1.00 0.00 C ATOM 585 OE1 GLU A 35 6.495 -17.881 -0.133 1.00 0.00 O ATOM 586 OE2 GLU A 35 7.327 -15.950 -0.745 1.00 0.00 O ATOM 0 H GLU A 35 4.315 -13.572 1.110 1.00 0.00 H new ATOM 0 HA GLU A 35 2.106 -15.184 0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.830 -16.822 -0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.260 -15.229 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.827 -14.919 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.342 -16.450 1.683 1.00 0.00 H new ATOM 593 N THR A 36 2.891 -15.461 3.282 1.00 0.00 N ATOM 594 CA THR A 36 2.498 -16.101 4.524 1.00 0.00 C ATOM 595 C THR A 36 0.989 -16.320 4.536 1.00 0.00 C ATOM 596 O THR A 36 0.462 -17.139 5.289 1.00 0.00 O ATOM 597 CB THR A 36 2.903 -15.236 5.727 1.00 0.00 C ATOM 598 OG1 THR A 36 2.455 -13.887 5.522 1.00 0.00 O ATOM 599 CG2 THR A 36 4.411 -15.251 5.919 1.00 0.00 C ATOM 0 H THR A 36 3.274 -14.523 3.397 1.00 0.00 H new ATOM 0 HA THR A 36 3.007 -17.062 4.596 1.00 0.00 H new ATOM 0 HB THR A 36 2.437 -15.646 6.623 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.713 -13.336 6.291 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.675 -14.632 6.776 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.745 -16.274 6.093 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.896 -14.858 5.025 1.00 0.00 H new ATOM 607 N THR A 37 0.312 -15.567 3.682 1.00 0.00 N ATOM 608 CA THR A 37 -1.120 -15.681 3.496 1.00 0.00 C ATOM 609 C THR A 37 -1.404 -16.099 2.058 1.00 0.00 C ATOM 610 O THR A 37 -0.553 -15.926 1.183 1.00 0.00 O ATOM 611 CB THR A 37 -1.808 -14.337 3.782 1.00 0.00 C ATOM 612 OG1 THR A 37 -0.827 -13.360 4.168 1.00 0.00 O ATOM 613 CG2 THR A 37 -2.849 -14.484 4.883 1.00 0.00 C ATOM 0 H THR A 37 0.748 -14.855 3.096 1.00 0.00 H new ATOM 0 HA THR A 37 -1.510 -16.428 4.188 1.00 0.00 H new ATOM 0 HB THR A 37 -2.312 -14.008 2.873 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.265 -12.633 4.659 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.322 -13.520 5.067 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.605 -15.206 4.575 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.366 -14.832 5.796 1.00 0.00 H new ATOM 621 N LYS A 38 -2.584 -16.642 1.800 1.00 0.00 N ATOM 622 CA LYS A 38 -2.908 -17.119 0.462 1.00 0.00 C ATOM 623 C LYS A 38 -3.320 -15.960 -0.442 1.00 0.00 C ATOM 624 O LYS A 38 -4.494 -15.803 -0.781 1.00 0.00 O ATOM 625 CB LYS A 38 -4.011 -18.180 0.506 1.00 0.00 C ATOM 626 CG LYS A 38 -3.708 -19.348 1.437 1.00 0.00 C ATOM 627 CD LYS A 38 -2.326 -19.940 1.188 1.00 0.00 C ATOM 628 CE LYS A 38 -2.207 -20.558 -0.196 1.00 0.00 C ATOM 629 NZ LYS A 38 -0.836 -21.066 -0.454 1.00 0.00 N ATOM 0 H LYS A 38 -3.326 -16.763 2.489 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.011 -17.579 0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.942 -17.709 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.173 -18.564 -0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.776 -19.013 2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.463 -20.123 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.573 -19.160 1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.116 -20.699 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.922 -21.375 -0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.468 -19.815 -0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.793 -21.480 -1.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.157 -20.281 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.597 -21.793 0.250 1.00 0.00 H new ATOM 643 N GLY A 39 -2.345 -15.143 -0.816 1.00 0.00 N ATOM 644 CA GLY A 39 -2.598 -14.047 -1.729 1.00 0.00 C ATOM 645 C GLY A 39 -3.024 -12.777 -1.020 1.00 0.00 C ATOM 646 O GLY A 39 -3.812 -11.999 -1.553 1.00 0.00 O ATOM 0 H GLY A 39 -1.378 -15.221 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.697 -13.849 -2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.374 -14.341 -2.436 1.00 0.00 H new ATOM 650 N ALA A 40 -2.517 -12.567 0.187 1.00 0.00 N ATOM 651 CA ALA A 40 -2.795 -11.339 0.915 1.00 0.00 C ATOM 652 C ALA A 40 -1.660 -10.344 0.719 1.00 0.00 C ATOM 653 O ALA A 40 -0.486 -10.719 0.695 1.00 0.00 O ATOM 654 CB ALA A 40 -3.011 -11.619 2.393 1.00 0.00 C ATOM 0 H ALA A 40 -1.915 -13.227 0.679 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.713 -10.906 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.217 -10.684 2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.856 -12.296 2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.115 -12.078 2.811 1.00 0.00 H new ATOM 660 N TYR A 41 -2.014 -9.080 0.583 1.00 0.00 N ATOM 661 CA TYR A 41 -1.040 -8.043 0.296 1.00 0.00 C ATOM 662 C TYR A 41 -0.986 -7.035 1.429 1.00 0.00 C ATOM 663 O TYR A 41 -1.859 -7.006 2.296 1.00 0.00 O ATOM 664 CB TYR A 41 -1.383 -7.346 -1.024 1.00 0.00 C ATOM 665 CG TYR A 41 -1.375 -8.281 -2.215 1.00 0.00 C ATOM 666 CD1 TYR A 41 -2.492 -9.041 -2.538 1.00 0.00 C ATOM 667 CD2 TYR A 41 -0.243 -8.419 -3.006 1.00 0.00 C ATOM 668 CE1 TYR A 41 -2.479 -9.909 -3.614 1.00 0.00 C ATOM 669 CE2 TYR A 41 -0.223 -9.287 -4.080 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.342 -10.028 -4.378 1.00 0.00 C ATOM 671 OH TYR A 41 -1.317 -10.901 -5.442 1.00 0.00 O ATOM 0 H TYR A 41 -2.974 -8.745 0.667 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.058 -8.506 0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.367 -6.886 -0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.669 -6.541 -1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.386 -8.952 -1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.638 -7.837 -2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.357 -10.490 -3.853 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.668 -9.383 -4.683 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.546 -11.500 -5.355 1.00 0.00 H new ATOM 681 N CYS A 42 0.053 -6.226 1.429 1.00 0.00 N ATOM 682 CA CYS A 42 0.211 -5.194 2.432 1.00 0.00 C ATOM 683 C CYS A 42 0.453 -3.848 1.765 1.00 0.00 C ATOM 684 O CYS A 42 1.510 -3.615 1.174 1.00 0.00 O ATOM 685 CB CYS A 42 1.372 -5.539 3.367 1.00 0.00 C ATOM 686 SG CYS A 42 1.232 -7.171 4.134 1.00 0.00 S ATOM 0 H CYS A 42 0.805 -6.264 0.741 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.704 -5.133 3.021 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.305 -5.491 2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.432 -4.784 4.151 1.00 0.00 H new ATOM 0 HG CYS A 42 2.258 -7.377 4.906 1.00 0.00 H new ATOM 692 N LEU A 43 -0.546 -2.983 1.833 1.00 0.00 N ATOM 693 CA LEU A 43 -0.431 -1.635 1.304 1.00 0.00 C ATOM 694 C LEU A 43 0.094 -0.734 2.411 1.00 0.00 C ATOM 695 O LEU A 43 -0.672 -0.192 3.209 1.00 0.00 O ATOM 696 CB LEU A 43 -1.799 -1.149 0.788 1.00 0.00 C ATOM 697 CG LEU A 43 -1.804 0.094 -0.124 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.469 1.362 0.649 1.00 0.00 C ATOM 699 CD2 LEU A 43 -0.842 -0.080 -1.293 1.00 0.00 C ATOM 0 H LEU A 43 -1.452 -3.193 2.253 1.00 0.00 H new ATOM 0 HA LEU A 43 0.261 -1.613 0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.266 -1.970 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.431 -0.938 1.651 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.815 0.198 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.483 2.216 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.206 1.513 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.478 1.267 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.866 0.812 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.169 -0.230 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.140 -0.947 -1.883 1.00 0.00 H new ATOM 711 N SER A 44 1.403 -0.613 2.481 1.00 0.00 N ATOM 712 CA SER A 44 2.028 0.205 3.495 1.00 0.00 C ATOM 713 C SER A 44 2.178 1.632 3.000 1.00 0.00 C ATOM 714 O SER A 44 2.761 1.877 1.943 1.00 0.00 O ATOM 715 CB SER A 44 3.387 -0.378 3.876 1.00 0.00 C ATOM 716 OG SER A 44 3.247 -1.698 4.371 1.00 0.00 O ATOM 0 H SER A 44 2.055 -1.073 1.845 1.00 0.00 H new ATOM 0 HA SER A 44 1.394 0.214 4.382 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.044 -0.379 3.006 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.859 0.250 4.631 1.00 0.00 H new ATOM 0 HG SER A 44 3.353 -1.695 5.345 1.00 0.00 H new ATOM 722 N VAL A 45 1.621 2.567 3.744 1.00 0.00 N ATOM 723 CA VAL A 45 1.738 3.965 3.396 1.00 0.00 C ATOM 724 C VAL A 45 2.595 4.694 4.424 1.00 0.00 C ATOM 725 O VAL A 45 2.417 4.528 5.635 1.00 0.00 O ATOM 726 CB VAL A 45 0.347 4.639 3.260 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.402 4.664 4.586 1.00 0.00 C ATOM 728 CG2 VAL A 45 0.478 6.040 2.685 1.00 0.00 C ATOM 0 H VAL A 45 1.084 2.382 4.591 1.00 0.00 H new ATOM 0 HA VAL A 45 2.226 4.029 2.423 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.240 4.037 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.371 5.144 4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.550 3.644 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.178 5.222 5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.510 6.492 2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.099 6.647 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.940 5.987 1.699 1.00 0.00 H new ATOM 738 N SER A 46 3.570 5.445 3.935 1.00 0.00 N ATOM 739 CA SER A 46 4.381 6.283 4.791 1.00 0.00 C ATOM 740 C SER A 46 3.522 7.401 5.338 1.00 0.00 C ATOM 741 O SER A 46 2.923 8.180 4.586 1.00 0.00 O ATOM 742 CB SER A 46 5.587 6.840 4.036 1.00 0.00 C ATOM 743 OG SER A 46 6.374 7.679 4.864 1.00 0.00 O ATOM 0 H SER A 46 3.816 5.488 2.946 1.00 0.00 H new ATOM 0 HA SER A 46 4.768 5.685 5.616 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.197 6.017 3.665 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.246 7.401 3.166 1.00 0.00 H new ATOM 0 HG SER A 46 7.239 7.251 5.035 1.00 0.00 H new ATOM 749 N ASP A 47 3.458 7.455 6.645 1.00 0.00 N ATOM 750 CA ASP A 47 2.534 8.332 7.334 1.00 0.00 C ATOM 751 C ASP A 47 3.278 9.277 8.258 1.00 0.00 C ATOM 752 O ASP A 47 4.386 8.982 8.710 1.00 0.00 O ATOM 753 CB ASP A 47 1.531 7.496 8.132 1.00 0.00 C ATOM 754 CG ASP A 47 0.541 8.339 8.910 1.00 0.00 C ATOM 755 OD1 ASP A 47 -0.519 8.679 8.356 1.00 0.00 O ATOM 756 OD2 ASP A 47 0.804 8.636 10.090 1.00 0.00 O ATOM 0 H ASP A 47 4.043 6.894 7.264 1.00 0.00 H new ATOM 0 HA ASP A 47 2.000 8.929 6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.986 6.844 7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.073 6.852 8.824 1.00 0.00 H new ATOM 761 N PHE A 48 2.669 10.412 8.524 1.00 0.00 N ATOM 762 CA PHE A 48 3.226 11.371 9.446 1.00 0.00 C ATOM 763 C PHE A 48 2.132 11.890 10.359 1.00 0.00 C ATOM 764 O PHE A 48 1.374 12.793 9.996 1.00 0.00 O ATOM 765 CB PHE A 48 3.869 12.537 8.706 1.00 0.00 C ATOM 766 CG PHE A 48 4.719 13.414 9.584 1.00 0.00 C ATOM 767 CD1 PHE A 48 4.155 14.458 10.301 1.00 0.00 C ATOM 768 CD2 PHE A 48 6.080 13.186 9.700 1.00 0.00 C ATOM 769 CE1 PHE A 48 4.934 15.258 11.115 1.00 0.00 C ATOM 770 CE2 PHE A 48 6.863 13.981 10.511 1.00 0.00 C ATOM 771 CZ PHE A 48 6.290 15.018 11.220 1.00 0.00 C ATOM 0 H PHE A 48 1.780 10.693 8.109 1.00 0.00 H new ATOM 0 HA PHE A 48 3.997 10.873 10.034 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.483 12.147 7.894 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.086 13.143 8.251 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.095 14.648 10.222 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.534 12.376 9.149 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.483 16.069 11.668 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.923 13.792 10.591 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.902 15.641 11.856 1.00 0.00 H new ATOM 781 N ASP A 49 2.030 11.287 11.520 1.00 0.00 N ATOM 782 CA ASP A 49 1.142 11.782 12.558 1.00 0.00 C ATOM 783 C ASP A 49 1.679 13.101 13.074 1.00 0.00 C ATOM 784 O ASP A 49 2.794 13.148 13.599 1.00 0.00 O ATOM 785 CB ASP A 49 1.028 10.786 13.717 1.00 0.00 C ATOM 786 CG ASP A 49 -0.159 9.856 13.587 1.00 0.00 C ATOM 787 OD1 ASP A 49 -1.298 10.311 13.817 1.00 0.00 O ATOM 788 OD2 ASP A 49 0.036 8.660 13.285 1.00 0.00 O ATOM 0 H ASP A 49 2.552 10.448 11.775 1.00 0.00 H new ATOM 0 HA ASP A 49 0.148 11.916 12.131 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.942 10.194 13.770 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.950 11.336 14.655 1.00 0.00 H new ATOM 793 N ASN A 50 0.905 14.170 12.916 1.00 0.00 N ATOM 794 CA ASN A 50 1.335 15.497 13.356 1.00 0.00 C ATOM 795 C ASN A 50 1.236 15.594 14.876 1.00 0.00 C ATOM 796 O ASN A 50 0.496 16.412 15.425 1.00 0.00 O ATOM 797 CB ASN A 50 0.490 16.586 12.694 1.00 0.00 C ATOM 798 CG ASN A 50 1.162 17.950 12.730 1.00 0.00 C ATOM 799 OD1 ASN A 50 1.872 18.327 11.796 1.00 0.00 O ATOM 800 ND2 ASN A 50 0.942 18.703 13.798 1.00 0.00 N ATOM 0 H ASN A 50 -0.021 14.146 12.488 1.00 0.00 H new ATOM 0 HA ASN A 50 2.373 15.647 13.058 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.294 16.309 11.658 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.475 16.647 13.196 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.366 19.628 13.866 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.348 18.358 14.552 1.00 0.00 H new ATOM 807 N ALA A 51 1.987 14.723 15.530 1.00 0.00 N ATOM 808 CA ALA A 51 1.996 14.577 16.972 1.00 0.00 C ATOM 809 C ALA A 51 3.034 13.531 17.350 1.00 0.00 C ATOM 810 O ALA A 51 3.686 13.620 18.390 1.00 0.00 O ATOM 811 CB ALA A 51 0.624 14.150 17.466 1.00 0.00 C ATOM 0 H ALA A 51 2.624 14.082 15.057 1.00 0.00 H new ATOM 0 HA ALA A 51 2.246 15.532 17.435 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.645 14.044 18.551 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.113 14.904 17.189 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.355 13.196 17.013 1.00 0.00 H new ATOM 817 N LYS A 52 3.181 12.536 16.478 1.00 0.00 N ATOM 818 CA LYS A 52 4.131 11.457 16.696 1.00 0.00 C ATOM 819 C LYS A 52 5.301 11.598 15.734 1.00 0.00 C ATOM 820 O LYS A 52 6.433 11.840 16.151 1.00 0.00 O ATOM 821 CB LYS A 52 3.453 10.097 16.498 1.00 0.00 C ATOM 822 CG LYS A 52 2.195 9.915 17.332 1.00 0.00 C ATOM 823 CD LYS A 52 2.493 9.977 18.821 1.00 0.00 C ATOM 824 CE LYS A 52 1.218 9.898 19.642 1.00 0.00 C ATOM 825 NZ LYS A 52 1.495 9.893 21.101 1.00 0.00 N ATOM 0 H LYS A 52 2.650 12.458 15.611 1.00 0.00 H new ATOM 0 HA LYS A 52 4.498 11.516 17.721 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.201 9.977 15.444 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.162 9.308 16.748 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.472 10.689 17.073 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.735 8.956 17.093 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.157 9.157 19.096 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.019 10.904 19.051 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.577 10.745 19.398 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.670 8.995 19.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.598 9.838 21.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.086 9.071 21.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.995 10.766 21.362 1.00 0.00 H new ATOM 839 N GLY A 53 5.012 11.486 14.443 1.00 0.00 N ATOM 840 CA GLY A 53 6.047 11.623 13.435 1.00 0.00 C ATOM 841 C GLY A 53 5.916 10.611 12.315 1.00 0.00 C ATOM 842 O GLY A 53 4.813 10.153 12.005 1.00 0.00 O ATOM 0 H GLY A 53 4.078 11.303 14.076 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.008 12.628 13.016 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.023 11.512 13.906 1.00 0.00 H new ATOM 846 N LEU A 54 7.049 10.269 11.706 1.00 0.00 N ATOM 847 CA LEU A 54 7.084 9.331 10.590 1.00 0.00 C ATOM 848 C LEU A 54 6.823 7.907 11.058 1.00 0.00 C ATOM 849 O LEU A 54 7.475 7.412 11.981 1.00 0.00 O ATOM 850 CB LEU A 54 8.437 9.395 9.872 1.00 0.00 C ATOM 851 CG LEU A 54 8.641 10.604 8.955 1.00 0.00 C ATOM 852 CD1 LEU A 54 10.071 10.642 8.433 1.00 0.00 C ATOM 853 CD2 LEU A 54 7.661 10.556 7.795 1.00 0.00 C ATOM 0 H LEU A 54 7.964 10.633 11.972 1.00 0.00 H new ATOM 0 HA LEU A 54 6.295 9.619 9.896 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.227 9.393 10.623 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.558 8.488 9.280 1.00 0.00 H new ATOM 0 HG LEU A 54 8.458 11.510 9.532 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.198 11.508 7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.763 10.714 9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.277 9.732 7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.817 11.421 7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.821 9.643 7.221 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.641 10.569 8.180 1.00 0.00 H new ATOM 865 N ASN A 55 5.878 7.256 10.405 1.00 0.00 N ATOM 866 CA ASN A 55 5.517 5.886 10.722 1.00 0.00 C ATOM 867 C ASN A 55 4.987 5.212 9.466 1.00 0.00 C ATOM 868 O ASN A 55 4.886 5.844 8.415 1.00 0.00 O ATOM 869 CB ASN A 55 4.456 5.853 11.825 1.00 0.00 C ATOM 870 CG ASN A 55 3.098 6.321 11.339 1.00 0.00 C ATOM 871 OD1 ASN A 55 2.251 5.512 10.955 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.885 7.626 11.342 1.00 0.00 N ATOM 0 H ASN A 55 5.339 7.662 9.640 1.00 0.00 H new ATOM 0 HA ASN A 55 6.398 5.354 11.082 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.370 4.837 12.211 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.779 6.483 12.654 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.992 7.998 11.018 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.614 8.261 11.668 1.00 0.00 H new ATOM 879 N VAL A 56 4.656 3.934 9.565 1.00 0.00 N ATOM 880 CA VAL A 56 4.117 3.206 8.429 1.00 0.00 C ATOM 881 C VAL A 56 2.759 2.601 8.766 1.00 0.00 C ATOM 882 O VAL A 56 2.640 1.804 9.698 1.00 0.00 O ATOM 883 CB VAL A 56 5.066 2.079 7.968 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.486 1.351 6.765 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.442 2.635 7.640 1.00 0.00 C ATOM 0 H VAL A 56 4.751 3.382 10.417 1.00 0.00 H new ATOM 0 HA VAL A 56 4.008 3.926 7.618 1.00 0.00 H new ATOM 0 HB VAL A 56 5.171 1.366 8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.169 0.560 6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.524 0.915 7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.349 2.055 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.095 1.824 7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.356 3.371 6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.864 3.109 8.526 1.00 0.00 H new ATOM 895 N LYS A 57 1.737 2.997 8.020 1.00 0.00 N ATOM 896 CA LYS A 57 0.421 2.390 8.146 1.00 0.00 C ATOM 897 C LYS A 57 0.338 1.166 7.242 1.00 0.00 C ATOM 898 O LYS A 57 0.225 1.294 6.023 1.00 0.00 O ATOM 899 CB LYS A 57 -0.686 3.381 7.769 1.00 0.00 C ATOM 900 CG LYS A 57 -1.016 4.417 8.837 1.00 0.00 C ATOM 901 CD LYS A 57 -2.147 5.326 8.370 1.00 0.00 C ATOM 902 CE LYS A 57 -2.781 6.110 9.512 1.00 0.00 C ATOM 903 NZ LYS A 57 -1.859 7.111 10.102 1.00 0.00 N ATOM 0 H LYS A 57 1.795 3.737 7.320 1.00 0.00 H new ATOM 0 HA LYS A 57 0.277 2.097 9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.391 3.902 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.591 2.820 7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.303 3.916 9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.131 5.013 9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.763 6.023 7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.912 4.724 7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.675 6.616 9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.102 5.416 10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.275 7.494 10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.949 6.658 10.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.705 7.884 9.423 1.00 0.00 H new ATOM 917 N HIS A 58 0.424 -0.015 7.834 1.00 0.00 N ATOM 918 CA HIS A 58 0.359 -1.253 7.067 1.00 0.00 C ATOM 919 C HIS A 58 -1.092 -1.656 6.837 1.00 0.00 C ATOM 920 O HIS A 58 -1.663 -2.423 7.617 1.00 0.00 O ATOM 921 CB HIS A 58 1.103 -2.390 7.780 1.00 0.00 C ATOM 922 CG HIS A 58 2.574 -2.154 7.957 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.508 -2.777 7.162 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.215 -1.378 8.863 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.687 -2.365 7.599 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.556 -1.518 8.627 1.00 0.00 N ATOM 0 H HIS A 58 0.539 -0.144 8.839 1.00 0.00 H new ATOM 0 HA HIS A 58 0.843 -1.074 6.107 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.652 -2.544 8.760 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.961 -3.311 7.215 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.756 -0.766 9.625 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.634 -2.673 7.180 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.312 -1.063 9.138 1.00 0.00 H new ATOM 934 N TYR A 59 -1.691 -1.121 5.782 1.00 0.00 N ATOM 935 CA TYR A 59 -3.055 -1.474 5.422 1.00 0.00 C ATOM 936 C TYR A 59 -3.099 -2.888 4.848 1.00 0.00 C ATOM 937 O TYR A 59 -2.351 -3.220 3.927 1.00 0.00 O ATOM 938 CB TYR A 59 -3.623 -0.479 4.409 1.00 0.00 C ATOM 939 CG TYR A 59 -4.050 0.849 4.999 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.158 0.932 5.835 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.368 2.020 4.699 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.570 2.145 6.358 1.00 0.00 C ATOM 943 CE2 TYR A 59 -3.777 3.238 5.214 1.00 0.00 C ATOM 944 CZ TYR A 59 -4.879 3.295 6.043 1.00 0.00 C ATOM 945 OH TYR A 59 -5.296 4.508 6.547 1.00 0.00 O ATOM 0 H TYR A 59 -1.253 -0.441 5.161 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.668 -1.437 6.323 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.872 -0.295 3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.481 -0.934 3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.706 0.034 6.080 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.504 1.980 4.053 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.430 2.190 7.010 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.236 4.140 4.968 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.699 5.217 6.229 1.00 0.00 H new ATOM 955 N LYS A 60 -3.974 -3.717 5.399 1.00 0.00 N ATOM 956 CA LYS A 60 -4.063 -5.112 4.992 1.00 0.00 C ATOM 957 C LYS A 60 -4.926 -5.274 3.744 1.00 0.00 C ATOM 958 O LYS A 60 -6.077 -4.841 3.708 1.00 0.00 O ATOM 959 CB LYS A 60 -4.626 -5.960 6.136 1.00 0.00 C ATOM 960 CG LYS A 60 -5.959 -5.458 6.672 1.00 0.00 C ATOM 961 CD LYS A 60 -6.512 -6.365 7.758 1.00 0.00 C ATOM 962 CE LYS A 60 -7.825 -5.831 8.310 1.00 0.00 C ATOM 963 NZ LYS A 60 -7.650 -4.521 8.992 1.00 0.00 N ATOM 0 H LYS A 60 -4.633 -3.448 6.130 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.057 -5.456 4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.747 -6.986 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.902 -5.982 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.834 -4.451 7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.677 -5.391 5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.665 -7.366 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.785 -6.454 8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.543 -5.724 7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.243 -6.552 9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.506 -4.297 9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.832 -4.570 9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.489 -3.779 8.282 1.00 0.00 H new ATOM 977 N ILE A 61 -4.359 -5.893 2.721 1.00 0.00 N ATOM 978 CA ILE A 61 -5.100 -6.195 1.512 1.00 0.00 C ATOM 979 C ILE A 61 -5.490 -7.666 1.504 1.00 0.00 C ATOM 980 O ILE A 61 -4.647 -8.543 1.310 1.00 0.00 O ATOM 981 CB ILE A 61 -4.289 -5.866 0.240 1.00 0.00 C ATOM 982 CG1 ILE A 61 -3.968 -4.369 0.191 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.048 -6.295 -1.012 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.207 -3.948 -1.047 1.00 0.00 C ATOM 0 H ILE A 61 -3.385 -6.196 2.706 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.993 -5.571 1.506 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.352 -6.422 0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.899 -3.805 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.385 -4.103 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.458 -6.053 -1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.228 -7.370 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.002 -5.769 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.017 -2.875 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.259 -4.484 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.797 -4.181 -1.933 1.00 0.00 H new ATOM 996 N ARG A 62 -6.762 -7.928 1.739 1.00 0.00 N ATOM 997 CA ARG A 62 -7.269 -9.289 1.773 1.00 0.00 C ATOM 998 C ARG A 62 -8.132 -9.559 0.551 1.00 0.00 C ATOM 999 O ARG A 62 -8.424 -8.647 -0.224 1.00 0.00 O ATOM 1000 CB ARG A 62 -8.061 -9.527 3.060 1.00 0.00 C ATOM 1001 CG ARG A 62 -7.182 -9.670 4.290 1.00 0.00 C ATOM 1002 CD ARG A 62 -6.293 -10.896 4.174 1.00 0.00 C ATOM 1003 NE ARG A 62 -5.420 -11.064 5.332 1.00 0.00 N ATOM 1004 CZ ARG A 62 -5.479 -12.108 6.157 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -6.403 -13.045 5.978 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -4.615 -12.213 7.157 1.00 0.00 N ATOM 0 H ARG A 62 -7.468 -7.212 1.910 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.426 -9.980 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.753 -8.698 3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.663 -10.428 2.946 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.567 -8.778 4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.805 -9.749 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.916 -11.783 4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.685 -10.816 3.273 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.726 -10.341 5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.068 -12.965 5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.448 -13.844 6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.905 -11.494 7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.661 -13.013 7.789 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.530 -10.810 0.370 1.00 0.00 N ATOM 1021 CA LYS A 63 -9.318 -11.189 -0.788 1.00 0.00 C ATOM 1022 C LYS A 63 -10.623 -11.853 -0.385 1.00 0.00 C ATOM 1023 O LYS A 63 -10.753 -12.390 0.719 1.00 0.00 O ATOM 1024 CB LYS A 63 -8.529 -12.126 -1.697 1.00 0.00 C ATOM 1025 CG LYS A 63 -7.332 -11.468 -2.357 1.00 0.00 C ATOM 1026 CD LYS A 63 -6.693 -12.375 -3.402 1.00 0.00 C ATOM 1027 CE LYS A 63 -6.285 -13.715 -2.816 1.00 0.00 C ATOM 1028 NZ LYS A 63 -5.602 -14.568 -3.822 1.00 0.00 N ATOM 0 H LYS A 63 -8.320 -11.576 1.010 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.551 -10.273 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.187 -12.981 -1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.193 -12.512 -2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.643 -10.535 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.593 -11.212 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.394 -12.535 -4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.817 -11.882 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.623 -13.554 -1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.168 -14.232 -2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.338 -15.475 -3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.243 -14.742 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.746 -14.085 -4.163 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.577 -11.811 -1.300 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.880 -12.423 -1.098 1.00 0.00 C ATOM 1044 C LEU A 64 -13.159 -13.417 -2.215 1.00 0.00 C ATOM 1045 O LEU A 64 -12.668 -13.238 -3.330 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.980 -11.358 -1.085 1.00 0.00 C ATOM 1047 CG LEU A 64 -13.878 -10.311 0.023 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -14.816 -9.152 -0.267 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -14.201 -10.930 1.375 1.00 0.00 C ATOM 0 H LEU A 64 -11.470 -11.351 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.874 -12.938 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.974 -10.844 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.944 -11.859 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.855 -9.936 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -14.736 -8.411 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.545 -8.694 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.841 -9.518 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.123 -10.169 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.215 -11.330 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.497 -11.735 1.584 1.00 0.00 H new ATOM 1061 N ASP A 65 -13.944 -14.446 -1.923 1.00 0.00 N ATOM 1062 CA ASP A 65 -14.262 -15.481 -2.910 1.00 0.00 C ATOM 1063 C ASP A 65 -14.838 -14.869 -4.183 1.00 0.00 C ATOM 1064 O ASP A 65 -14.222 -14.933 -5.251 1.00 0.00 O ATOM 1065 CB ASP A 65 -15.251 -16.489 -2.323 1.00 0.00 C ATOM 1066 CG ASP A 65 -14.656 -17.309 -1.196 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -14.349 -16.728 -0.133 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -14.512 -18.543 -1.358 1.00 0.00 O ATOM 0 H ASP A 65 -14.375 -14.590 -1.010 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.336 -15.996 -3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.129 -15.958 -1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.592 -17.159 -3.113 1.00 0.00 H new ATOM 1073 N SER A 66 -16.005 -14.255 -4.063 1.00 0.00 N ATOM 1074 CA SER A 66 -16.654 -13.624 -5.202 1.00 0.00 C ATOM 1075 C SER A 66 -16.484 -12.108 -5.148 1.00 0.00 C ATOM 1076 O SER A 66 -17.260 -11.360 -5.740 1.00 0.00 O ATOM 1077 CB SER A 66 -18.137 -13.992 -5.234 1.00 0.00 C ATOM 1078 OG SER A 66 -18.313 -15.394 -5.377 1.00 0.00 O ATOM 0 H SER A 66 -16.523 -14.180 -3.187 1.00 0.00 H new ATOM 0 HA SER A 66 -16.182 -13.989 -6.114 1.00 0.00 H new ATOM 0 HB2 SER A 66 -18.619 -13.654 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 66 -18.625 -13.475 -6.060 1.00 0.00 H new ATOM 0 HG SER A 66 -19.270 -15.604 -5.393 1.00 0.00 H new ATOM 1084 N GLY A 67 -15.463 -11.662 -4.431 1.00 0.00 N ATOM 1085 CA GLY A 67 -15.206 -10.244 -4.319 1.00 0.00 C ATOM 1086 C GLY A 67 -13.916 -9.856 -5.002 1.00 0.00 C ATOM 1087 O GLY A 67 -13.879 -9.667 -6.217 1.00 0.00 O ATOM 0 H GLY A 67 -14.808 -12.258 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -16.033 -9.688 -4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.159 -9.964 -3.267 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.853 -9.754 -4.223 1.00 0.00 N ATOM 1092 CA GLY A 68 -11.563 -9.409 -4.773 1.00 0.00 C ATOM 1093 C GLY A 68 -10.641 -8.854 -3.719 1.00 0.00 C ATOM 1094 O GLY A 68 -10.754 -9.212 -2.548 1.00 0.00 O ATOM 0 H GLY A 68 -12.862 -9.905 -3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.111 -10.292 -5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.691 -8.675 -5.569 1.00 0.00 H new ATOM 1098 N PHE A 69 -9.747 -7.974 -4.129 1.00 0.00 N ATOM 1099 CA PHE A 69 -8.811 -7.346 -3.216 1.00 0.00 C ATOM 1100 C PHE A 69 -9.498 -6.200 -2.493 1.00 0.00 C ATOM 1101 O PHE A 69 -10.092 -5.327 -3.131 1.00 0.00 O ATOM 1102 CB PHE A 69 -7.595 -6.809 -3.980 1.00 0.00 C ATOM 1103 CG PHE A 69 -6.942 -7.816 -4.881 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -6.054 -8.747 -4.373 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -7.211 -7.824 -6.240 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -5.446 -9.670 -5.204 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -6.605 -8.743 -7.076 1.00 0.00 C ATOM 1108 CZ PHE A 69 -5.723 -9.667 -6.557 1.00 0.00 C ATOM 0 H PHE A 69 -9.649 -7.676 -5.099 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.474 -8.090 -2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.905 -5.951 -4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.858 -6.449 -3.262 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.833 -8.753 -3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.903 -7.104 -6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.755 -10.393 -4.795 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.822 -8.737 -8.134 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.249 -10.387 -7.208 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.442 -6.212 -1.173 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.020 -5.139 -0.391 1.00 0.00 C ATOM 1120 C TYR A 70 -9.123 -4.805 0.788 1.00 0.00 C ATOM 1121 O TYR A 70 -8.516 -5.686 1.399 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.430 -5.508 0.098 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.464 -6.542 1.206 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.361 -7.900 0.929 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -11.605 -6.154 2.534 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -11.398 -8.840 1.942 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -11.641 -7.087 3.550 1.00 0.00 C ATOM 1128 CZ TYR A 70 -11.537 -8.428 3.251 1.00 0.00 C ATOM 1129 OH TYR A 70 -11.571 -9.360 4.264 1.00 0.00 O ATOM 0 H TYR A 70 -9.003 -6.951 -0.624 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.104 -4.261 -1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.927 -4.603 0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.007 -5.882 -0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.250 -8.226 -0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.688 -5.104 2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.318 -9.892 1.710 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.750 -6.767 4.576 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.672 -8.903 5.125 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.022 -3.522 1.077 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.287 -3.049 2.240 1.00 0.00 C ATOM 1141 C ILE A 71 -9.287 -2.694 3.334 1.00 0.00 C ATOM 1142 O ILE A 71 -8.935 -2.397 4.477 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.443 -1.806 1.885 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.662 -2.046 0.588 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -6.490 -1.477 3.020 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -5.882 -0.840 0.108 1.00 0.00 C ATOM 0 H ILE A 71 -9.443 -2.780 0.518 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.611 -3.833 2.582 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.114 -0.960 1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.972 -2.876 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.359 -2.350 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.901 -0.599 2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.060 -1.273 3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.824 -2.322 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.357 -1.090 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.568 -0.013 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.159 -0.548 0.870 1.00 0.00 H new ATOM 1158 N THR A 72 -10.550 -2.757 2.951 1.00 0.00 N ATOM 1159 CA THR A 72 -11.652 -2.334 3.784 1.00 0.00 C ATOM 1160 C THR A 72 -12.953 -2.787 3.137 1.00 0.00 C ATOM 1161 O THR A 72 -12.989 -3.070 1.938 1.00 0.00 O ATOM 1162 CB THR A 72 -11.646 -0.793 3.950 1.00 0.00 C ATOM 1163 OG1 THR A 72 -12.842 -0.349 4.600 1.00 0.00 O ATOM 1164 CG2 THR A 72 -11.508 -0.099 2.600 1.00 0.00 C ATOM 0 H THR A 72 -10.839 -3.109 2.038 1.00 0.00 H new ATOM 0 HA THR A 72 -11.554 -2.781 4.773 1.00 0.00 H new ATOM 0 HB THR A 72 -10.787 -0.531 4.568 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.819 0.626 4.697 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.507 0.981 2.745 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.574 -0.403 2.128 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.345 -0.378 1.960 1.00 0.00 H new ATOM 1172 N SER A 73 -14.015 -2.857 3.926 1.00 0.00 N ATOM 1173 CA SER A 73 -15.309 -3.310 3.439 1.00 0.00 C ATOM 1174 C SER A 73 -15.973 -2.241 2.572 1.00 0.00 C ATOM 1175 O SER A 73 -17.077 -2.440 2.061 1.00 0.00 O ATOM 1176 CB SER A 73 -16.209 -3.677 4.621 1.00 0.00 C ATOM 1177 OG SER A 73 -16.287 -2.606 5.550 1.00 0.00 O ATOM 0 H SER A 73 -14.005 -2.604 4.914 1.00 0.00 H new ATOM 0 HA SER A 73 -15.156 -4.194 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.207 -3.924 4.260 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.820 -4.566 5.117 1.00 0.00 H new ATOM 0 HG SER A 73 -16.869 -2.862 6.296 1.00 0.00 H new ATOM 1183 N ARG A 74 -15.281 -1.118 2.405 1.00 0.00 N ATOM 1184 CA ARG A 74 -15.777 -0.003 1.612 1.00 0.00 C ATOM 1185 C ARG A 74 -15.847 -0.360 0.130 1.00 0.00 C ATOM 1186 O ARG A 74 -16.897 -0.227 -0.499 1.00 0.00 O ATOM 1187 CB ARG A 74 -14.867 1.209 1.799 1.00 0.00 C ATOM 1188 CG ARG A 74 -14.934 1.828 3.186 1.00 0.00 C ATOM 1189 CD ARG A 74 -16.254 2.545 3.408 1.00 0.00 C ATOM 1190 NE ARG A 74 -16.497 3.553 2.379 1.00 0.00 N ATOM 1191 CZ ARG A 74 -17.338 4.573 2.515 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -17.987 4.761 3.655 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -17.516 5.415 1.507 1.00 0.00 N ATOM 0 H ARG A 74 -14.361 -0.957 2.816 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.785 0.230 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -13.838 0.912 1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.133 1.966 1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.809 1.051 3.940 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.110 2.531 3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.068 1.820 3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.251 3.019 4.389 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.988 3.468 1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -17.843 4.121 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -18.631 5.546 3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -17.009 5.278 0.633 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -18.160 6.200 1.606 1.00 0.00 H new ATOM 1207 N THR A 75 -14.727 -0.807 -0.423 1.00 0.00 N ATOM 1208 CA THR A 75 -14.643 -1.067 -1.850 1.00 0.00 C ATOM 1209 C THR A 75 -13.799 -2.309 -2.128 1.00 0.00 C ATOM 1210 O THR A 75 -12.798 -2.555 -1.452 1.00 0.00 O ATOM 1211 CB THR A 75 -14.035 0.139 -2.596 1.00 0.00 C ATOM 1212 OG1 THR A 75 -14.567 1.364 -2.069 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.340 0.062 -4.083 1.00 0.00 C ATOM 0 H THR A 75 -13.868 -0.996 0.094 1.00 0.00 H new ATOM 0 HA THR A 75 -15.658 -1.235 -2.211 1.00 0.00 H new ATOM 0 HB THR A 75 -12.955 0.116 -2.453 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.455 2.080 -2.729 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.902 0.922 -4.589 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.918 -0.855 -4.494 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.420 0.063 -4.234 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.226 -3.097 -3.107 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.506 -4.301 -3.500 1.00 0.00 C ATOM 1223 C GLN A 76 -13.197 -4.258 -4.993 1.00 0.00 C ATOM 1224 O GLN A 76 -14.042 -3.848 -5.794 1.00 0.00 O ATOM 1225 CB GLN A 76 -14.324 -5.564 -3.183 1.00 0.00 C ATOM 1226 CG GLN A 76 -14.669 -5.741 -1.708 1.00 0.00 C ATOM 1227 CD GLN A 76 -15.784 -4.824 -1.236 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -16.677 -4.458 -2.002 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -15.736 -4.440 0.029 1.00 0.00 N ATOM 0 H GLN A 76 -15.074 -2.922 -3.647 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.576 -4.339 -2.932 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.249 -5.536 -3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.765 -6.437 -3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.961 -6.776 -1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.778 -5.555 -1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.980 -4.765 0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.455 -3.819 0.401 1.00 0.00 H new ATOM 1238 N PHE A 77 -11.988 -4.665 -5.364 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.588 -4.695 -6.768 1.00 0.00 C ATOM 1240 C PHE A 77 -10.968 -6.036 -7.135 1.00 0.00 C ATOM 1241 O PHE A 77 -10.214 -6.615 -6.360 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.597 -3.574 -7.079 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.225 -2.212 -7.123 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -11.979 -1.824 -8.219 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.059 -1.324 -6.077 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.558 -0.571 -8.269 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.635 -0.071 -6.120 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.386 0.306 -7.218 1.00 0.00 C ATOM 0 H PHE A 77 -11.268 -4.979 -4.713 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.489 -4.549 -7.364 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.809 -3.577 -6.326 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.121 -3.777 -8.039 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.115 -2.509 -9.043 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.473 -1.614 -5.218 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.144 -0.279 -9.128 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.499 0.615 -5.297 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.838 1.286 -7.253 1.00 0.00 H new ATOM 1258 N SER A 78 -11.284 -6.519 -8.326 1.00 0.00 N ATOM 1259 CA SER A 78 -10.758 -7.788 -8.804 1.00 0.00 C ATOM 1260 C SER A 78 -9.355 -7.624 -9.387 1.00 0.00 C ATOM 1261 O SER A 78 -8.679 -8.610 -9.697 1.00 0.00 O ATOM 1262 CB SER A 78 -11.709 -8.372 -9.849 1.00 0.00 C ATOM 1263 OG SER A 78 -12.193 -7.356 -10.715 1.00 0.00 O ATOM 0 H SER A 78 -11.906 -6.048 -8.983 1.00 0.00 H new ATOM 0 HA SER A 78 -10.683 -8.473 -7.960 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.193 -9.136 -10.430 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.546 -8.862 -9.352 1.00 0.00 H new ATOM 0 HG SER A 78 -12.798 -7.751 -11.377 1.00 0.00 H new ATOM 1269 N SER A 79 -8.924 -6.377 -9.531 1.00 0.00 N ATOM 1270 CA SER A 79 -7.601 -6.074 -10.048 1.00 0.00 C ATOM 1271 C SER A 79 -6.904 -5.061 -9.141 1.00 0.00 C ATOM 1272 O SER A 79 -7.495 -4.048 -8.758 1.00 0.00 O ATOM 1273 CB SER A 79 -7.723 -5.515 -11.463 1.00 0.00 C ATOM 1274 OG SER A 79 -8.440 -6.407 -12.301 1.00 0.00 O ATOM 0 H SER A 79 -9.479 -5.555 -9.294 1.00 0.00 H new ATOM 0 HA SER A 79 -7.006 -6.987 -10.073 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.230 -4.550 -11.434 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.729 -5.341 -11.876 1.00 0.00 H new ATOM 0 HG SER A 79 -8.507 -6.027 -13.202 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.648 -5.347 -8.801 1.00 0.00 N ATOM 1281 CA LEU A 80 -4.858 -4.472 -7.939 1.00 0.00 C ATOM 1282 C LEU A 80 -4.611 -3.127 -8.611 1.00 0.00 C ATOM 1283 O LEU A 80 -4.491 -2.107 -7.938 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.522 -5.126 -7.576 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.593 -6.240 -6.529 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.230 -6.894 -6.365 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.075 -5.687 -5.197 1.00 0.00 C ATOM 0 H LEU A 80 -5.154 -6.183 -9.112 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.427 -4.307 -7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.079 -5.534 -8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.846 -4.352 -7.212 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.305 -6.992 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.293 -7.685 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.914 -7.319 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.505 -6.147 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.120 -6.492 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.384 -4.919 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.067 -5.253 -5.321 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.542 -3.136 -9.938 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.399 -1.906 -10.706 1.00 0.00 C ATOM 1301 C GLN A 81 -5.549 -0.955 -10.401 1.00 0.00 C ATOM 1302 O GLN A 81 -5.341 0.228 -10.144 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.361 -2.217 -12.207 1.00 0.00 C ATOM 1304 CG GLN A 81 -4.321 -0.977 -13.090 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.084 -0.128 -12.864 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -2.019 -0.635 -12.522 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.219 1.176 -13.048 1.00 0.00 N ATOM 0 H GLN A 81 -4.583 -3.983 -10.504 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.462 -1.428 -10.421 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.486 -2.831 -12.419 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.238 -2.810 -12.468 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.360 -1.281 -14.136 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.209 -0.374 -12.900 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.120 1.560 -13.332 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.422 1.796 -12.906 1.00 0.00 H new ATOM 1316 N GLN A 82 -6.761 -1.488 -10.399 1.00 0.00 N ATOM 1317 CA GLN A 82 -7.944 -0.678 -10.156 1.00 0.00 C ATOM 1318 C GLN A 82 -8.093 -0.361 -8.674 1.00 0.00 C ATOM 1319 O GLN A 82 -8.769 0.597 -8.300 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.190 -1.378 -10.693 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.179 -1.572 -12.207 1.00 0.00 C ATOM 1322 CD GLN A 82 -9.016 -0.275 -12.994 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -8.373 0.677 -12.549 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -9.603 -0.229 -14.176 1.00 0.00 N ATOM 0 H GLN A 82 -6.951 -2.477 -10.563 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.826 0.266 -10.687 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.285 -2.351 -10.211 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.070 -0.798 -10.416 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.368 -2.250 -12.471 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.109 -2.054 -12.509 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.128 -1.034 -14.516 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.531 0.612 -14.749 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.459 -1.172 -7.841 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.420 -0.930 -6.406 1.00 0.00 C ATOM 1335 C LEU A 83 -6.700 0.392 -6.130 1.00 0.00 C ATOM 1336 O LEU A 83 -7.280 1.323 -5.566 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.723 -2.117 -5.709 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.599 -2.068 -4.174 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.473 -1.141 -3.736 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -7.918 -1.648 -3.539 1.00 0.00 C ATOM 0 H LEU A 83 -6.960 -2.011 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.431 -0.849 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.262 -3.026 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.720 -2.209 -6.125 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.355 -3.073 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.413 -1.130 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.528 -1.496 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.670 -0.132 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.807 -1.620 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.197 -0.658 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.695 -2.364 -3.806 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.444 0.475 -6.555 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.633 1.665 -6.322 1.00 0.00 C ATOM 1354 C VAL A 84 -5.156 2.871 -7.094 1.00 0.00 C ATOM 1355 O VAL A 84 -5.209 3.975 -6.564 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.152 1.434 -6.682 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.414 0.782 -5.525 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -3.016 0.578 -7.925 1.00 0.00 C ATOM 0 H VAL A 84 -4.965 -0.268 -7.063 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.706 1.872 -5.254 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.707 2.408 -6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.371 0.628 -5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.467 1.429 -4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.874 -0.179 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.960 0.433 -8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.486 -0.390 -7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.504 1.075 -8.764 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.546 2.643 -8.343 1.00 0.00 N ATOM 1369 CA ALA A 85 -6.071 3.705 -9.205 1.00 0.00 C ATOM 1370 C ALA A 85 -7.330 4.356 -8.623 1.00 0.00 C ATOM 1371 O ALA A 85 -7.674 5.482 -8.984 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.365 3.158 -10.593 1.00 0.00 C ATOM 0 H ALA A 85 -5.509 1.726 -8.787 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.303 4.476 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.755 3.957 -11.224 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.448 2.764 -11.031 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.104 2.360 -10.521 1.00 0.00 H new ATOM 1378 N TYR A 86 -8.023 3.646 -7.739 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.219 4.185 -7.105 1.00 0.00 C ATOM 1380 C TYR A 86 -8.865 4.879 -5.796 1.00 0.00 C ATOM 1381 O TYR A 86 -9.267 6.019 -5.559 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.232 3.070 -6.848 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.522 3.531 -6.199 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.486 4.215 -6.926 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -11.778 3.268 -4.859 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.667 4.624 -6.337 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -12.957 3.670 -4.263 1.00 0.00 C ATOM 1388 CZ TYR A 86 -13.899 4.346 -5.006 1.00 0.00 C ATOM 1389 OH TYR A 86 -15.079 4.747 -4.417 1.00 0.00 O ATOM 0 H TYR A 86 -7.778 2.700 -7.447 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.663 4.918 -7.779 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.469 2.586 -7.796 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.769 2.315 -6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.310 4.431 -7.969 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.041 2.739 -4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.405 5.159 -6.916 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.139 3.456 -3.220 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.885 5.193 -3.566 1.00 0.00 H new ATOM 1399 N TYR A 87 -8.086 4.195 -4.961 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.735 4.703 -3.635 1.00 0.00 C ATOM 1401 C TYR A 87 -6.726 5.848 -3.715 1.00 0.00 C ATOM 1402 O TYR A 87 -6.384 6.458 -2.699 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.192 3.570 -2.757 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.270 2.657 -2.203 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -9.154 1.995 -3.041 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.399 2.461 -0.835 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -10.138 1.167 -2.534 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.377 1.634 -0.320 1.00 0.00 C ATOM 1409 CZ TYR A 87 -10.244 0.989 -1.173 1.00 0.00 C ATOM 1410 OH TYR A 87 -11.223 0.170 -0.662 1.00 0.00 O ATOM 0 H TYR A 87 -7.684 3.283 -5.180 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.644 5.099 -3.182 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.489 2.975 -3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.632 4.002 -1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.072 2.129 -4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.722 2.965 -0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.820 0.662 -3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.462 1.494 0.747 1.00 0.00 H new ATOM 0 HH TYR A 87 -10.823 -0.462 -0.029 1.00 0.00 H new ATOM 1420 N SER A 88 -6.244 6.129 -4.917 1.00 0.00 N ATOM 1421 CA SER A 88 -5.382 7.276 -5.144 1.00 0.00 C ATOM 1422 C SER A 88 -6.212 8.553 -5.220 1.00 0.00 C ATOM 1423 O SER A 88 -5.770 9.629 -4.810 1.00 0.00 O ATOM 1424 CB SER A 88 -4.591 7.088 -6.440 1.00 0.00 C ATOM 1425 OG SER A 88 -5.457 6.831 -7.531 1.00 0.00 O ATOM 0 H SER A 88 -6.437 5.575 -5.752 1.00 0.00 H new ATOM 0 HA SER A 88 -4.684 7.360 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.000 7.982 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.890 6.262 -6.325 1.00 0.00 H new ATOM 0 HG SER A 88 -4.928 6.716 -8.348 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.424 8.417 -5.744 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.328 9.544 -5.909 1.00 0.00 C ATOM 1433 C LYS A 89 -9.287 9.624 -4.729 1.00 0.00 C ATOM 1434 O LYS A 89 -9.435 10.671 -4.096 1.00 0.00 O ATOM 1435 CB LYS A 89 -9.115 9.392 -7.214 1.00 0.00 C ATOM 1436 CG LYS A 89 -8.229 9.194 -8.432 1.00 0.00 C ATOM 1437 CD LYS A 89 -9.048 8.917 -9.682 1.00 0.00 C ATOM 1438 CE LYS A 89 -8.155 8.653 -10.883 1.00 0.00 C ATOM 1439 NZ LYS A 89 -7.281 9.815 -11.194 1.00 0.00 N ATOM 0 H LYS A 89 -7.805 7.527 -6.064 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.744 10.463 -5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.792 8.543 -7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.732 10.278 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.618 10.083 -8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.545 8.364 -8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.695 8.056 -9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.697 9.768 -9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.537 7.776 -10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.773 8.422 -11.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.828 9.671 -12.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.854 10.683 -11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.549 9.905 -10.460 1.00 0.00 H new ATOM 1453 N HIS A 90 -9.931 8.505 -4.442 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.843 8.408 -3.321 1.00 0.00 C ATOM 1455 C HIS A 90 -10.362 7.321 -2.374 1.00 0.00 C ATOM 1456 O HIS A 90 -10.465 6.132 -2.679 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.254 8.091 -3.812 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.316 8.547 -2.869 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.163 7.694 -2.193 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -13.668 9.797 -2.498 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -14.991 8.403 -1.449 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -14.710 9.682 -1.612 1.00 0.00 N ATOM 0 H HIS A 90 -9.835 7.643 -4.979 1.00 0.00 H new ATOM 0 HA HIS A 90 -10.868 9.362 -2.794 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.410 8.563 -4.782 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.347 7.015 -3.963 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -14.151 6.676 -2.258 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -13.214 10.717 -2.836 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.768 8.004 -0.814 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.835 7.736 -1.228 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.270 6.805 -0.260 1.00 0.00 C ATOM 1473 C ALA A 91 -10.343 5.857 0.256 1.00 0.00 C ATOM 1474 O ALA A 91 -10.081 4.676 0.481 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.618 7.561 0.888 1.00 0.00 C ATOM 0 H ALA A 91 -9.787 8.715 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.502 6.212 -0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.201 6.850 1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.821 8.195 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.364 8.180 1.386 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.549 6.405 0.434 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.749 5.636 0.775 1.00 0.00 C ATOM 1483 C ASP A 92 -12.649 4.993 2.158 1.00 0.00 C ATOM 1484 O ASP A 92 -13.311 5.421 3.103 1.00 0.00 O ATOM 1485 CB ASP A 92 -13.014 4.567 -0.286 1.00 0.00 C ATOM 1486 CG ASP A 92 -14.457 4.550 -0.738 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -15.306 3.974 -0.029 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -14.749 5.121 -1.811 1.00 0.00 O ATOM 0 H ASP A 92 -11.721 7.406 0.344 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.585 6.335 0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.369 4.745 -1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.750 3.588 0.114 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.821 3.967 2.265 1.00 0.00 N ATOM 1494 CA GLY A 93 -11.616 3.300 3.530 1.00 0.00 C ATOM 1495 C GLY A 93 -10.294 3.686 4.153 1.00 0.00 C ATOM 1496 O GLY A 93 -10.113 3.572 5.365 1.00 0.00 O ATOM 0 H GLY A 93 -11.283 3.582 1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.428 3.553 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.648 2.220 3.383 1.00 0.00 H new ATOM 1500 N LEU A 94 -9.366 4.143 3.317 1.00 0.00 N ATOM 1501 CA LEU A 94 -8.075 4.617 3.796 1.00 0.00 C ATOM 1502 C LEU A 94 -8.217 6.028 4.339 1.00 0.00 C ATOM 1503 O LEU A 94 -9.128 6.763 3.957 1.00 0.00 O ATOM 1504 CB LEU A 94 -7.027 4.606 2.674 1.00 0.00 C ATOM 1505 CG LEU A 94 -6.854 3.279 1.927 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -5.574 3.299 1.108 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -6.852 2.109 2.896 1.00 0.00 C ATOM 0 H LEU A 94 -9.486 4.194 2.305 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.740 3.945 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.292 5.376 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.064 4.888 3.101 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.698 3.153 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.463 2.350 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.618 4.112 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.721 3.449 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.728 1.178 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.030 2.223 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.797 2.085 3.439 1.00 0.00 H new ATOM 1519 N CYS A 95 -7.319 6.405 5.233 1.00 0.00 N ATOM 1520 CA CYS A 95 -7.329 7.745 5.787 1.00 0.00 C ATOM 1521 C CYS A 95 -6.628 8.706 4.835 1.00 0.00 C ATOM 1522 O CYS A 95 -6.953 9.893 4.768 1.00 0.00 O ATOM 1523 CB CYS A 95 -6.649 7.753 7.156 1.00 0.00 C ATOM 1524 SG CYS A 95 -6.816 9.310 8.059 1.00 0.00 S ATOM 0 H CYS A 95 -6.576 5.803 5.589 1.00 0.00 H new ATOM 0 HA CYS A 95 -8.361 8.071 5.913 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.067 6.949 7.761 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.589 7.535 7.024 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.209 9.215 9.204 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.674 8.182 4.079 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.904 8.996 3.156 1.00 0.00 C ATOM 1532 C HIS A 96 -4.934 8.389 1.765 1.00 0.00 C ATOM 1533 O HIS A 96 -4.619 7.214 1.583 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.463 9.141 3.651 1.00 0.00 C ATOM 1535 CG HIS A 96 -3.377 9.765 5.008 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -3.138 9.010 6.126 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -3.539 11.057 5.373 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -3.165 9.849 7.142 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -3.410 11.106 6.739 1.00 0.00 N ATOM 0 H HIS A 96 -5.416 7.195 4.088 1.00 0.00 H new ATOM 0 HA HIS A 96 -5.352 9.988 3.107 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.992 8.158 3.677 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.899 9.746 2.941 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -3.733 11.891 4.715 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -3.009 9.561 8.171 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -3.485 11.934 7.331 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.341 9.189 0.791 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.405 8.723 -0.584 1.00 0.00 C ATOM 1549 C ARG A 97 -4.011 8.571 -1.174 1.00 0.00 C ATOM 1550 O ARG A 97 -3.131 9.407 -0.953 1.00 0.00 O ATOM 1551 CB ARG A 97 -6.305 9.618 -1.463 1.00 0.00 C ATOM 1552 CG ARG A 97 -6.266 11.123 -1.186 1.00 0.00 C ATOM 1553 CD ARG A 97 -5.001 11.802 -1.695 1.00 0.00 C ATOM 1554 NE ARG A 97 -5.204 13.249 -1.818 1.00 0.00 N ATOM 1555 CZ ARG A 97 -4.233 14.162 -1.860 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -2.956 13.807 -1.789 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -4.559 15.445 -1.990 1.00 0.00 N ATOM 0 H ARG A 97 -5.630 10.158 0.927 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.870 7.737 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.029 9.458 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.335 9.279 -1.350 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.133 11.592 -1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.351 11.289 -0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.175 11.602 -1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.723 11.385 -2.663 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.166 13.584 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -2.705 12.822 -1.701 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.226 14.519 -1.823 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.540 15.718 -2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.828 16.156 -2.024 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.824 7.476 -1.904 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.526 7.105 -2.456 1.00 0.00 C ATOM 1573 C LEU A 98 -2.023 8.173 -3.421 1.00 0.00 C ATOM 1574 O LEU A 98 -2.444 8.239 -4.573 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.636 5.750 -3.162 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.242 4.624 -2.312 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.341 3.338 -3.116 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.419 4.398 -1.052 1.00 0.00 C ATOM 0 H LEU A 98 -4.571 6.819 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.806 7.025 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.241 5.873 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.641 5.445 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.247 4.926 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.773 2.553 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.975 3.502 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.346 3.036 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.866 3.596 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.401 4.122 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.400 5.314 -0.461 1.00 0.00 H new ATOM 1590 N THR A 99 -1.117 9.009 -2.938 1.00 0.00 N ATOM 1591 CA THR A 99 -0.667 10.161 -3.701 1.00 0.00 C ATOM 1592 C THR A 99 0.645 9.880 -4.425 1.00 0.00 C ATOM 1593 O THR A 99 0.745 10.053 -5.639 1.00 0.00 O ATOM 1594 CB THR A 99 -0.483 11.375 -2.774 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.622 11.491 -1.904 1.00 0.00 O ATOM 1596 CG2 THR A 99 -0.316 12.658 -3.580 1.00 0.00 C ATOM 0 H THR A 99 -0.680 8.911 -2.022 1.00 0.00 H new ATOM 0 HA THR A 99 -1.433 10.376 -4.446 1.00 0.00 H new ATOM 0 HB THR A 99 0.420 11.225 -2.182 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.933 10.597 -1.651 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.188 13.501 -2.900 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.561 12.573 -4.222 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.201 12.819 -4.195 1.00 0.00 H new ATOM 1604 N ASN A 100 1.639 9.429 -3.678 1.00 0.00 N ATOM 1605 CA ASN A 100 2.967 9.210 -4.227 1.00 0.00 C ATOM 1606 C ASN A 100 3.428 7.803 -3.918 1.00 0.00 C ATOM 1607 O ASN A 100 3.232 7.304 -2.817 1.00 0.00 O ATOM 1608 CB ASN A 100 3.934 10.264 -3.670 1.00 0.00 C ATOM 1609 CG ASN A 100 5.402 9.941 -3.878 1.00 0.00 C ATOM 1610 OD1 ASN A 100 5.956 10.175 -4.954 1.00 0.00 O ATOM 1611 ND2 ASN A 100 6.059 9.451 -2.837 1.00 0.00 N ATOM 0 H ASN A 100 1.551 9.207 -2.686 1.00 0.00 H new ATOM 0 HA ASN A 100 2.943 9.317 -5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.716 11.223 -4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.748 10.382 -2.602 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.057 9.255 -2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.567 9.270 -1.962 1.00 0.00 H new ATOM 1618 N VAL A 101 4.004 7.150 -4.903 1.00 0.00 N ATOM 1619 CA VAL A 101 4.433 5.768 -4.735 1.00 0.00 C ATOM 1620 C VAL A 101 5.843 5.730 -4.155 1.00 0.00 C ATOM 1621 O VAL A 101 6.645 6.629 -4.408 1.00 0.00 O ATOM 1622 CB VAL A 101 4.401 4.980 -6.063 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.381 3.485 -5.790 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.203 5.379 -6.913 1.00 0.00 C ATOM 0 H VAL A 101 4.188 7.545 -5.825 1.00 0.00 H new ATOM 0 HA VAL A 101 3.731 5.292 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 101 5.305 5.225 -6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.358 2.943 -6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.275 3.205 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.495 3.234 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.209 4.807 -7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.283 5.173 -6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.258 6.443 -7.142 1.00 0.00 H new ATOM 1634 N CYS A 102 6.125 4.696 -3.367 1.00 0.00 N ATOM 1635 CA CYS A 102 7.411 4.552 -2.691 1.00 0.00 C ATOM 1636 C CYS A 102 8.578 4.716 -3.660 1.00 0.00 C ATOM 1637 O CYS A 102 8.655 4.036 -4.688 1.00 0.00 O ATOM 1638 CB CYS A 102 7.500 3.189 -2.002 1.00 0.00 C ATOM 1639 SG CYS A 102 9.039 2.911 -1.090 1.00 0.00 S ATOM 0 H CYS A 102 5.471 3.936 -3.179 1.00 0.00 H new ATOM 0 HA CYS A 102 7.478 5.342 -1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.661 3.088 -1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.391 2.408 -2.754 1.00 0.00 H new ATOM 0 HG CYS A 102 10.044 3.338 -1.795 1.00 0.00 H new ATOM 1645 N PRO A 103 9.494 5.640 -3.342 1.00 0.00 N ATOM 1646 CA PRO A 103 10.688 5.884 -4.143 1.00 0.00 C ATOM 1647 C PRO A 103 11.673 4.727 -4.054 1.00 0.00 C ATOM 1648 O PRO A 103 11.807 4.082 -3.010 1.00 0.00 O ATOM 1649 CB PRO A 103 11.303 7.154 -3.535 1.00 0.00 C ATOM 1650 CG PRO A 103 10.270 7.695 -2.603 1.00 0.00 C ATOM 1651 CD PRO A 103 9.435 6.526 -2.174 1.00 0.00 C ATOM 0 HA PRO A 103 10.447 5.990 -5.201 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.228 6.926 -3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.550 7.880 -4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.736 8.176 -1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.658 8.449 -3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.838 6.047 -1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.412 6.823 -1.942 1.00 0.00 H new ATOM 1659 N THR A 104 12.350 4.463 -5.154 1.00 0.00 N ATOM 1660 CA THR A 104 13.342 3.407 -5.211 1.00 0.00 C ATOM 1661 C THR A 104 14.742 4.000 -5.142 1.00 0.00 C ATOM 1662 O THR A 104 14.932 5.182 -5.434 1.00 0.00 O ATOM 1663 CB THR A 104 13.194 2.591 -6.510 1.00 0.00 C ATOM 1664 OG1 THR A 104 13.188 3.472 -7.642 1.00 0.00 O ATOM 1665 CG2 THR A 104 11.916 1.769 -6.496 1.00 0.00 C ATOM 0 H THR A 104 12.229 4.972 -6.030 1.00 0.00 H new ATOM 0 HA THR A 104 13.185 2.746 -4.359 1.00 0.00 H new ATOM 0 HB THR A 104 14.041 1.909 -6.581 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.095 2.947 -8.464 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.837 1.203 -7.424 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.936 1.080 -5.652 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.057 2.433 -6.402 1.00 0.00 H new ATOM 1673 N SER A 105 15.714 3.188 -4.749 1.00 0.00 N ATOM 1674 CA SER A 105 17.102 3.619 -4.730 1.00 0.00 C ATOM 1675 C SER A 105 17.693 3.540 -6.136 1.00 0.00 C ATOM 1676 O SER A 105 18.660 2.821 -6.387 1.00 0.00 O ATOM 1677 CB SER A 105 17.902 2.767 -3.741 1.00 0.00 C ATOM 1678 OG SER A 105 17.508 1.402 -3.797 1.00 0.00 O ATOM 0 H SER A 105 15.565 2.228 -4.439 1.00 0.00 H new ATOM 0 HA SER A 105 17.154 4.657 -4.400 1.00 0.00 H new ATOM 0 HB2 SER A 105 18.966 2.850 -3.964 1.00 0.00 H new ATOM 0 HB3 SER A 105 17.758 3.148 -2.730 1.00 0.00 H new ATOM 0 HG SER A 105 18.037 0.882 -3.156 1.00 0.00 H new ATOM 1684 N LYS A 106 17.082 4.282 -7.048 1.00 0.00 N ATOM 1685 CA LYS A 106 17.472 4.282 -8.445 1.00 0.00 C ATOM 1686 C LYS A 106 17.268 5.674 -9.032 1.00 0.00 C ATOM 1687 O LYS A 106 16.107 6.025 -9.334 1.00 0.00 O ATOM 1688 CB LYS A 106 16.638 3.256 -9.220 1.00 0.00 C ATOM 1689 CG LYS A 106 17.037 3.112 -10.681 1.00 0.00 C ATOM 1690 CD LYS A 106 16.011 2.299 -11.459 1.00 0.00 C ATOM 1691 CE LYS A 106 15.843 0.901 -10.885 1.00 0.00 C ATOM 1692 NZ LYS A 106 14.735 0.157 -11.543 1.00 0.00 N ATOM 1693 OXT LYS A 106 18.262 6.414 -9.174 1.00 0.00 O ATOM 0 H LYS A 106 16.300 4.902 -6.837 1.00 0.00 H new ATOM 0 HA LYS A 106 18.525 4.011 -8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 106 16.729 2.286 -8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 106 15.588 3.542 -9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 106 17.138 4.099 -11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 106 18.012 2.630 -10.748 1.00 0.00 H new ATOM 0 HD2 LYS A 106 15.051 2.816 -11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 106 16.319 2.229 -12.502 1.00 0.00 H new ATOM 0 HE2 LYS A 106 16.773 0.346 -11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 106 15.648 0.970 -9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.655 -0.791 -11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 13.842 0.673 -11.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 14.932 0.068 -12.560 1.00 0.00 H new TER 1707 LYS A 106