USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1000 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 49 GLN : amide:sc= -0.928 K(o=-0.72,f=-6.3!) USER MOD Set 1.2: A 95 THR OG1 : rot 120:sc= 0.208 USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.00331 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -130:sc= -1.05 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.026 X(o=-0.026,f=-0.16) USER MOD Single : A 11 GLN : amide:sc= -0.0211 K(o=-0.021,f=-0.56) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -7! C(o=-7!,f=-5.4!) USER MOD Single : A 17 TYR OH : rot 30:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -40:sc= -2.8! USER MOD Single : A 23 CYS SG : rot 180:sc= -1.15 USER MOD Single : A 24 GLN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0687 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0208! USER MOD Single : A 38 SER OG : rot 180:sc= -0.14 USER MOD Single : A 39 ASN : amide:sc= -0.0603 K(o=-0.06,f=-0.7) USER MOD Single : A 40 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.59) USER MOD Single : A 44 CYS SG : rot -147:sc= -0.245 USER MOD Single : A 46 CYS SG : rot 5:sc= 0.505 USER MOD Single : A 47 TYR OH : rot 171:sc= -1.48 USER MOD Single : A 51 SER OG : rot 9:sc= -1.58! USER MOD Single : A 54 ASN : amide:sc= -1.3 K(o=-1.3,f=-7.1!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 63 THR OG1 : rot 124:sc= 0.377 USER MOD Single : A 66 LYS NZ :NH3+ -127:sc= 1.12 (180deg=-1.13) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.96 K(o=-2,f=-2.9!) USER MOD Single : A 71 HIS : no HE2:sc= -1.51 K(o=-1.5,f=-3.8!) USER MOD Single : A 72 THR OG1 : rot -131:sc= -1.25 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 89 THR OG1 : rot 70:sc= -1.28 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.048 USER MOD Single : A 93 THR OG1 : rot -160:sc= 0 USER MOD Single : A 98 THR OG1 : rot 39:sc= 0.118 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -10:sc= 0.827 USER MOD Single : A 105 HIS : no HD1:sc= -0.0665 X(o=-0.066,f=-0.011) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 123:sc= 0.0246 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.94 K(o=-0.94,f=-1.5!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot -29:sc= -0.507 USER MOD Single : A 133 SER OG : rot 45:sc= 0.938 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.466 14.160 21.944 1.00 0.00 N ATOM 2 CA GLY A 1 14.376 15.257 21.661 1.00 0.00 C ATOM 3 C GLY A 1 15.399 14.859 20.595 1.00 0.00 C ATOM 4 O GLY A 1 15.955 13.763 20.640 1.00 0.00 O ATOM 0 H1 GLY A 1 13.334 14.075 22.972 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.548 14.344 21.491 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.864 13.274 21.572 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.811 16.125 21.322 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.893 15.551 22.575 1.00 0.00 H new ATOM 8 N SER A 2 15.617 15.773 19.660 1.00 0.00 N ATOM 9 CA SER A 2 16.563 15.532 18.584 1.00 0.00 C ATOM 10 C SER A 2 17.945 16.061 18.974 1.00 0.00 C ATOM 11 O SER A 2 18.090 16.738 19.990 1.00 0.00 O ATOM 12 CB SER A 2 16.094 16.182 17.281 1.00 0.00 C ATOM 13 OG SER A 2 16.678 15.566 16.136 1.00 0.00 O ATOM 0 H SER A 2 15.155 16.681 19.626 1.00 0.00 H new ATOM 0 HA SER A 2 16.626 14.456 18.419 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.008 16.116 17.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.349 17.242 17.292 1.00 0.00 H new ATOM 0 HG SER A 2 16.352 16.008 15.325 1.00 0.00 H new ATOM 19 N SER A 3 18.925 15.731 18.145 1.00 0.00 N ATOM 20 CA SER A 3 20.290 16.165 18.391 1.00 0.00 C ATOM 21 C SER A 3 20.996 16.447 17.063 1.00 0.00 C ATOM 22 O SER A 3 21.489 17.552 16.841 1.00 0.00 O ATOM 23 CB SER A 3 21.065 15.117 19.192 1.00 0.00 C ATOM 24 OG SER A 3 21.396 15.581 20.498 1.00 0.00 O ATOM 0 H SER A 3 18.801 15.169 17.303 1.00 0.00 H new ATOM 0 HA SER A 3 20.257 17.082 18.980 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.470 14.207 19.270 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.978 14.855 18.658 1.00 0.00 H new ATOM 0 HG SER A 3 21.889 14.883 20.978 1.00 0.00 H new ATOM 30 N GLY A 4 21.022 15.430 16.215 1.00 0.00 N ATOM 31 CA GLY A 4 21.660 15.555 14.915 1.00 0.00 C ATOM 32 C GLY A 4 20.823 16.426 13.976 1.00 0.00 C ATOM 33 O GLY A 4 19.677 16.752 14.282 1.00 0.00 O ATOM 0 H GLY A 4 20.612 14.515 16.402 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.652 15.990 15.033 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.796 14.567 14.476 1.00 0.00 H new ATOM 37 N SER A 5 21.430 16.779 12.852 1.00 0.00 N ATOM 38 CA SER A 5 20.755 17.607 11.866 1.00 0.00 C ATOM 39 C SER A 5 21.299 17.303 10.469 1.00 0.00 C ATOM 40 O SER A 5 22.377 16.728 10.329 1.00 0.00 O ATOM 41 CB SER A 5 20.920 19.093 12.189 1.00 0.00 C ATOM 42 OG SER A 5 19.666 19.740 12.382 1.00 0.00 O ATOM 0 H SER A 5 22.381 16.507 12.602 1.00 0.00 H new ATOM 0 HA SER A 5 19.691 17.374 11.893 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.527 19.203 13.088 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.459 19.582 11.378 1.00 0.00 H new ATOM 0 HG SER A 5 19.815 20.687 12.588 1.00 0.00 H new ATOM 48 N SER A 6 20.527 17.703 9.469 1.00 0.00 N ATOM 49 CA SER A 6 20.918 17.482 8.087 1.00 0.00 C ATOM 50 C SER A 6 19.910 18.144 7.145 1.00 0.00 C ATOM 51 O SER A 6 18.786 18.445 7.545 1.00 0.00 O ATOM 52 CB SER A 6 21.028 15.987 7.779 1.00 0.00 C ATOM 53 OG SER A 6 19.860 15.273 8.172 1.00 0.00 O ATOM 0 H SER A 6 19.633 18.179 9.588 1.00 0.00 H new ATOM 0 HA SER A 6 21.899 17.932 7.933 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.195 15.848 6.711 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.896 15.574 8.294 1.00 0.00 H new ATOM 0 HG SER A 6 20.118 14.492 8.705 1.00 0.00 H new ATOM 59 N GLY A 7 20.349 18.352 5.912 1.00 0.00 N ATOM 60 CA GLY A 7 19.499 18.973 4.911 1.00 0.00 C ATOM 61 C GLY A 7 20.225 19.084 3.569 1.00 0.00 C ATOM 62 O GLY A 7 21.049 18.235 3.232 1.00 0.00 O ATOM 0 H GLY A 7 21.282 18.102 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.588 18.388 4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.198 19.965 5.249 1.00 0.00 H new ATOM 66 N SER A 8 19.892 20.138 2.838 1.00 0.00 N ATOM 67 CA SER A 8 20.502 20.371 1.540 1.00 0.00 C ATOM 68 C SER A 8 20.099 19.263 0.565 1.00 0.00 C ATOM 69 O SER A 8 20.314 18.083 0.839 1.00 0.00 O ATOM 70 CB SER A 8 22.026 20.450 1.653 1.00 0.00 C ATOM 71 OG SER A 8 22.443 21.500 2.521 1.00 0.00 O ATOM 0 H SER A 8 19.208 20.840 3.120 1.00 0.00 H new ATOM 0 HA SER A 8 20.143 21.328 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 8 22.412 19.500 2.022 1.00 0.00 H new ATOM 0 HB3 SER A 8 22.455 20.606 0.663 1.00 0.00 H new ATOM 0 HG SER A 8 23.422 21.516 2.568 1.00 0.00 H new ATOM 77 N TRP A 9 19.522 19.681 -0.551 1.00 0.00 N ATOM 78 CA TRP A 9 19.086 18.738 -1.568 1.00 0.00 C ATOM 79 C TRP A 9 18.558 19.538 -2.760 1.00 0.00 C ATOM 80 O TRP A 9 18.241 20.720 -2.627 1.00 0.00 O ATOM 81 CB TRP A 9 18.057 17.758 -1.001 1.00 0.00 C ATOM 82 CG TRP A 9 16.756 18.419 -0.542 1.00 0.00 C ATOM 83 CD1 TRP A 9 15.988 19.286 -1.216 1.00 0.00 C ATOM 84 CD2 TRP A 9 16.097 18.229 0.728 1.00 0.00 C ATOM 85 NE1 TRP A 9 14.887 19.668 -0.476 1.00 0.00 N ATOM 86 CE2 TRP A 9 14.956 19.005 0.744 1.00 0.00 C ATOM 87 CE3 TRP A 9 16.454 17.429 1.828 1.00 0.00 C ATOM 88 CZ2 TRP A 9 14.079 19.056 1.834 1.00 0.00 C ATOM 89 CZ3 TRP A 9 15.567 17.492 2.909 1.00 0.00 C ATOM 90 CH2 TRP A 9 14.414 18.267 2.941 1.00 0.00 C ATOM 0 H TRP A 9 19.346 20.661 -0.774 1.00 0.00 H new ATOM 0 HA TRP A 9 19.919 18.122 -1.906 1.00 0.00 H new ATOM 0 HB2 TRP A 9 17.825 17.011 -1.760 1.00 0.00 H new ATOM 0 HB3 TRP A 9 18.501 17.228 -0.158 1.00 0.00 H new ATOM 0 HD1 TRP A 9 16.203 19.641 -2.213 1.00 0.00 H new ATOM 0 HE1 TRP A 9 14.157 20.317 -0.770 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.342 16.815 1.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.191 19.671 1.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 15.795 16.896 3.780 1.00 0.00 H new ATOM 0 HH2 TRP A 9 13.780 18.261 3.815 1.00 0.00 H new ATOM 101 N ASN A 10 18.479 18.863 -3.897 1.00 0.00 N ATOM 102 CA ASN A 10 17.994 19.496 -5.111 1.00 0.00 C ATOM 103 C ASN A 10 16.605 18.950 -5.446 1.00 0.00 C ATOM 104 O ASN A 10 15.624 19.692 -5.441 1.00 0.00 O ATOM 105 CB ASN A 10 18.917 19.198 -6.294 1.00 0.00 C ATOM 106 CG ASN A 10 19.454 20.492 -6.910 1.00 0.00 C ATOM 107 OD1 ASN A 10 18.734 21.452 -7.128 1.00 0.00 O ATOM 108 ND2 ASN A 10 20.757 20.464 -7.177 1.00 0.00 N ATOM 0 H ASN A 10 18.743 17.883 -4.003 1.00 0.00 H new ATOM 0 HA ASN A 10 17.962 20.572 -4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 10 19.749 18.576 -5.963 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.374 18.629 -7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.211 21.279 -7.589 1.00 0.00 H new ATOM 0 HD22 ASN A 10 21.302 19.627 -6.969 1.00 0.00 H new ATOM 115 N GLN A 11 16.565 17.657 -5.731 1.00 0.00 N ATOM 116 CA GLN A 11 15.312 17.002 -6.068 1.00 0.00 C ATOM 117 C GLN A 11 14.697 16.360 -4.822 1.00 0.00 C ATOM 118 O GLN A 11 15.292 16.389 -3.746 1.00 0.00 O ATOM 119 CB GLN A 11 15.515 15.966 -7.175 1.00 0.00 C ATOM 120 CG GLN A 11 15.859 16.644 -8.503 1.00 0.00 C ATOM 121 CD GLN A 11 16.470 15.644 -9.487 1.00 0.00 C ATOM 122 OE1 GLN A 11 17.315 14.833 -9.143 1.00 0.00 O ATOM 123 NE2 GLN A 11 15.997 15.745 -10.725 1.00 0.00 N ATOM 0 H GLN A 11 17.381 17.045 -5.736 1.00 0.00 H new ATOM 0 HA GLN A 11 14.620 17.756 -6.444 1.00 0.00 H new ATOM 0 HB2 GLN A 11 16.315 15.281 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.610 15.370 -7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 11 14.959 17.082 -8.936 1.00 0.00 H new ATOM 0 HG3 GLN A 11 16.559 17.461 -8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.290 16.446 -10.945 1.00 0.00 H new ATOM 0 HE22 GLN A 11 16.341 15.121 -11.455 1.00 0.00 H new ATOM 132 N ALA A 12 13.513 15.796 -5.010 1.00 0.00 N ATOM 133 CA ALA A 12 12.810 15.149 -3.916 1.00 0.00 C ATOM 134 C ALA A 12 12.159 13.861 -4.425 1.00 0.00 C ATOM 135 O ALA A 12 11.856 13.741 -5.611 1.00 0.00 O ATOM 136 CB ALA A 12 11.792 16.120 -3.316 1.00 0.00 C ATOM 0 H ALA A 12 13.023 15.774 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 12 13.505 14.876 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.265 15.633 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.309 17.004 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.076 16.416 -4.082 1.00 0.00 H new ATOM 142 N PRO A 13 11.956 12.906 -3.478 1.00 0.00 N ATOM 143 CA PRO A 13 11.346 11.632 -3.818 1.00 0.00 C ATOM 144 C PRO A 13 9.839 11.786 -4.034 1.00 0.00 C ATOM 145 O PRO A 13 9.139 12.330 -3.181 1.00 0.00 O ATOM 146 CB PRO A 13 11.689 10.710 -2.659 1.00 0.00 C ATOM 147 CG PRO A 13 12.076 11.618 -1.504 1.00 0.00 C ATOM 148 CD PRO A 13 12.302 13.014 -2.063 1.00 0.00 C ATOM 0 HA PRO A 13 11.719 11.224 -4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.838 10.083 -2.394 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.509 10.041 -2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.290 11.632 -0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.979 11.251 -1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.676 13.749 -1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.337 13.331 -1.931 1.00 0.00 H new ATOM 156 N LYS A 14 9.385 11.298 -5.178 1.00 0.00 N ATOM 157 CA LYS A 14 7.974 11.375 -5.517 1.00 0.00 C ATOM 158 C LYS A 14 7.387 9.962 -5.561 1.00 0.00 C ATOM 159 O LYS A 14 8.084 9.007 -5.899 1.00 0.00 O ATOM 160 CB LYS A 14 7.776 12.163 -6.814 1.00 0.00 C ATOM 161 CG LYS A 14 7.273 13.578 -6.523 1.00 0.00 C ATOM 162 CD LYS A 14 6.550 14.163 -7.739 1.00 0.00 C ATOM 163 CE LYS A 14 7.496 15.026 -8.576 1.00 0.00 C ATOM 164 NZ LYS A 14 7.674 16.356 -7.951 1.00 0.00 N ATOM 0 H LYS A 14 9.969 10.848 -5.883 1.00 0.00 H new ATOM 0 HA LYS A 14 7.428 11.925 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.718 12.213 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.063 11.644 -7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.597 13.559 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.113 14.218 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.150 13.355 -8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.702 14.762 -7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.462 14.530 -8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.097 15.142 -9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.319 16.929 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.753 16.834 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.076 16.241 -6.999 1.00 0.00 H new ATOM 178 N LEU A 15 6.111 9.875 -5.213 1.00 0.00 N ATOM 179 CA LEU A 15 5.423 8.596 -5.208 1.00 0.00 C ATOM 180 C LEU A 15 4.018 8.776 -5.786 1.00 0.00 C ATOM 181 O LEU A 15 3.140 9.336 -5.131 1.00 0.00 O ATOM 182 CB LEU A 15 5.437 7.985 -3.805 1.00 0.00 C ATOM 183 CG LEU A 15 4.388 6.905 -3.533 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.390 5.849 -4.640 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.587 6.284 -2.149 1.00 0.00 C ATOM 0 H LEU A 15 5.536 10.670 -4.933 1.00 0.00 H new ATOM 0 HA LEU A 15 5.942 7.882 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.424 7.558 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.300 8.787 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 15 3.404 7.375 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.636 5.093 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.164 6.323 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.372 5.378 -4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.829 5.519 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.577 5.832 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.497 7.058 -1.387 1.00 0.00 H new ATOM 197 N HIS A 16 3.848 8.289 -7.007 1.00 0.00 N ATOM 198 CA HIS A 16 2.565 8.389 -7.681 1.00 0.00 C ATOM 199 C HIS A 16 1.602 7.346 -7.109 1.00 0.00 C ATOM 200 O HIS A 16 1.999 6.214 -6.835 1.00 0.00 O ATOM 201 CB HIS A 16 2.736 8.270 -9.196 1.00 0.00 C ATOM 202 CG HIS A 16 1.531 8.720 -9.988 1.00 0.00 C ATOM 203 ND1 HIS A 16 0.684 7.836 -10.631 1.00 0.00 N ATOM 204 CD2 HIS A 16 1.042 9.970 -10.232 1.00 0.00 C ATOM 205 CE1 HIS A 16 -0.269 8.532 -11.233 1.00 0.00 C ATOM 206 NE2 HIS A 16 -0.045 9.855 -10.985 1.00 0.00 N ATOM 0 H HIS A 16 4.578 7.824 -7.547 1.00 0.00 H new ATOM 0 HA HIS A 16 2.131 9.372 -7.499 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.600 8.861 -9.501 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.955 7.232 -9.446 1.00 0.00 H new ATOM 0 HD1 HIS A 16 0.777 6.820 -10.640 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.467 10.896 -9.873 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -1.081 8.124 -11.817 1.00 0.00 H new ATOM 214 N TYR A 17 0.356 7.764 -6.946 1.00 0.00 N ATOM 215 CA TYR A 17 -0.666 6.880 -6.412 1.00 0.00 C ATOM 216 C TYR A 17 -2.066 7.375 -6.780 1.00 0.00 C ATOM 217 O TYR A 17 -2.318 8.579 -6.798 1.00 0.00 O ATOM 218 CB TYR A 17 -0.507 6.921 -4.891 1.00 0.00 C ATOM 219 CG TYR A 17 -0.460 8.335 -4.308 1.00 0.00 C ATOM 220 CD1 TYR A 17 -1.615 9.086 -4.225 1.00 0.00 C ATOM 221 CD2 TYR A 17 0.738 8.860 -3.866 1.00 0.00 C ATOM 222 CE1 TYR A 17 -1.571 10.416 -3.676 1.00 0.00 C ATOM 223 CE2 TYR A 17 0.782 10.190 -3.318 1.00 0.00 C ATOM 224 CZ TYR A 17 -0.375 10.903 -3.250 1.00 0.00 C ATOM 225 OH TYR A 17 -0.333 12.160 -2.732 1.00 0.00 O ATOM 0 H TYR A 17 0.031 8.703 -7.174 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.553 5.874 -6.817 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.335 6.378 -4.435 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.408 6.396 -4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.552 8.676 -4.572 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.642 8.273 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.468 11.014 -3.604 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.712 10.613 -2.969 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.191 12.367 -2.307 1.00 0.00 H new ATOM 235 N CYS A 18 -2.941 6.422 -7.063 1.00 0.00 N ATOM 236 CA CYS A 18 -4.310 6.746 -7.429 1.00 0.00 C ATOM 237 C CYS A 18 -5.248 6.065 -6.431 1.00 0.00 C ATOM 238 O CYS A 18 -5.536 4.876 -6.556 1.00 0.00 O ATOM 239 CB CYS A 18 -4.620 6.342 -8.872 1.00 0.00 C ATOM 240 SG CYS A 18 -6.421 6.455 -9.179 1.00 0.00 S ATOM 0 H CYS A 18 -2.729 5.424 -7.046 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.456 7.825 -7.384 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.083 6.991 -9.564 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.274 5.325 -9.056 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.674 6.112 -10.407 1.00 0.00 H new ATOM 246 N LEU A 19 -5.699 6.849 -5.462 1.00 0.00 N ATOM 247 CA LEU A 19 -6.600 6.337 -4.443 1.00 0.00 C ATOM 248 C LEU A 19 -7.993 6.152 -5.046 1.00 0.00 C ATOM 249 O LEU A 19 -8.463 6.999 -5.805 1.00 0.00 O ATOM 250 CB LEU A 19 -6.579 7.239 -3.208 1.00 0.00 C ATOM 251 CG LEU A 19 -5.195 7.597 -2.662 1.00 0.00 C ATOM 252 CD1 LEU A 19 -5.276 8.007 -1.190 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.205 6.452 -2.884 1.00 0.00 C ATOM 0 H LEU A 19 -5.457 7.835 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.269 5.357 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.103 8.164 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.145 6.749 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.821 8.458 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.279 8.256 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.927 8.876 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.680 7.181 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.229 6.732 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.562 5.558 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.117 6.249 -3.951 1.00 0.00 H new ATOM 265 N ASP A 20 -8.616 5.039 -4.687 1.00 0.00 N ATOM 266 CA ASP A 20 -9.947 4.732 -5.183 1.00 0.00 C ATOM 267 C ASP A 20 -10.612 3.716 -4.252 1.00 0.00 C ATOM 268 O ASP A 20 -10.189 2.563 -4.182 1.00 0.00 O ATOM 269 CB ASP A 20 -9.885 4.120 -6.584 1.00 0.00 C ATOM 270 CG ASP A 20 -11.186 3.477 -7.067 1.00 0.00 C ATOM 271 OD1 ASP A 20 -11.398 2.295 -6.721 1.00 0.00 O ATOM 272 OD2 ASP A 20 -11.940 4.183 -7.771 1.00 0.00 O ATOM 0 H ASP A 20 -8.223 4.338 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.516 5.661 -5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.597 4.898 -7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.097 3.367 -6.601 1.00 0.00 H new ATOM 277 N TYR A 21 -11.642 4.181 -3.560 1.00 0.00 N ATOM 278 CA TYR A 21 -12.369 3.327 -2.637 1.00 0.00 C ATOM 279 C TYR A 21 -13.636 2.768 -3.288 1.00 0.00 C ATOM 280 O TYR A 21 -14.483 3.527 -3.757 1.00 0.00 O ATOM 281 CB TYR A 21 -12.767 4.220 -1.460 1.00 0.00 C ATOM 282 CG TYR A 21 -13.447 3.472 -0.312 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.689 2.736 0.576 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.818 3.532 -0.165 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.329 2.031 1.657 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.458 2.828 0.915 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.682 2.112 1.773 1.00 0.00 C ATOM 288 OH TYR A 21 -15.287 1.446 2.793 1.00 0.00 O ATOM 0 H TYR A 21 -11.990 5.138 -3.620 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.753 2.481 -2.331 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.876 4.718 -1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.438 5.000 -1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.616 2.689 0.460 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.411 4.107 -0.861 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.748 1.451 2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.530 2.867 1.041 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.866 0.568 2.906 1.00 0.00 H new ATOM 298 N ASP A 22 -13.725 1.446 -3.297 1.00 0.00 N ATOM 299 CA ASP A 22 -14.874 0.778 -3.883 1.00 0.00 C ATOM 300 C ASP A 22 -15.839 0.362 -2.771 1.00 0.00 C ATOM 301 O ASP A 22 -15.777 -0.763 -2.279 1.00 0.00 O ATOM 302 CB ASP A 22 -14.451 -0.484 -4.638 1.00 0.00 C ATOM 303 CG ASP A 22 -15.235 -0.763 -5.922 1.00 0.00 C ATOM 304 OD1 ASP A 22 -16.414 -0.349 -5.969 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.638 -1.384 -6.828 1.00 0.00 O ATOM 0 H ASP A 22 -13.020 0.820 -2.908 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.350 1.471 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.393 -0.403 -4.887 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.557 -1.340 -3.972 1.00 0.00 H new ATOM 310 N CYS A 23 -16.709 1.293 -2.408 1.00 0.00 N ATOM 311 CA CYS A 23 -17.686 1.038 -1.363 1.00 0.00 C ATOM 312 C CYS A 23 -18.271 -0.359 -1.583 1.00 0.00 C ATOM 313 O CYS A 23 -18.555 -1.075 -0.624 1.00 0.00 O ATOM 314 CB CYS A 23 -18.774 2.113 -1.330 1.00 0.00 C ATOM 315 SG CYS A 23 -20.023 1.779 -2.625 1.00 0.00 S ATOM 0 H CYS A 23 -16.758 2.225 -2.819 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.198 1.078 -0.389 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.250 2.130 -0.350 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.330 3.096 -1.486 1.00 0.00 H new ATOM 0 HG CYS A 23 -20.943 2.696 -2.587 1.00 0.00 H new ATOM 321 N GLN A 24 -18.433 -0.704 -2.852 1.00 0.00 N ATOM 322 CA GLN A 24 -18.979 -2.003 -3.210 1.00 0.00 C ATOM 323 C GLN A 24 -18.123 -3.121 -2.613 1.00 0.00 C ATOM 324 O GLN A 24 -18.651 -4.076 -2.045 1.00 0.00 O ATOM 325 CB GLN A 24 -19.092 -2.150 -4.729 1.00 0.00 C ATOM 326 CG GLN A 24 -19.768 -0.926 -5.349 1.00 0.00 C ATOM 327 CD GLN A 24 -21.106 -1.303 -5.988 1.00 0.00 C ATOM 328 OE1 GLN A 24 -22.161 -0.822 -5.609 1.00 0.00 O ATOM 329 NE2 GLN A 24 -21.004 -2.189 -6.974 1.00 0.00 N ATOM 0 H GLN A 24 -18.196 -0.107 -3.645 1.00 0.00 H new ATOM 0 HA GLN A 24 -19.984 -2.080 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -18.099 -2.279 -5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.663 -3.046 -4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.928 -0.167 -4.583 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -19.113 -0.486 -6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -20.089 -2.552 -7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -21.841 -2.506 -7.463 1.00 0.00 H new ATOM 338 N LYS A 25 -16.815 -2.966 -2.762 1.00 0.00 N ATOM 339 CA LYS A 25 -15.881 -3.951 -2.244 1.00 0.00 C ATOM 340 C LYS A 25 -15.351 -3.482 -0.888 1.00 0.00 C ATOM 341 O LYS A 25 -14.498 -4.137 -0.290 1.00 0.00 O ATOM 342 CB LYS A 25 -14.781 -4.237 -3.269 1.00 0.00 C ATOM 343 CG LYS A 25 -15.283 -3.994 -4.694 1.00 0.00 C ATOM 344 CD LYS A 25 -14.361 -4.656 -5.720 1.00 0.00 C ATOM 345 CE LYS A 25 -15.148 -5.593 -6.639 1.00 0.00 C ATOM 346 NZ LYS A 25 -14.390 -6.841 -6.879 1.00 0.00 N ATOM 0 H LYS A 25 -16.380 -2.173 -3.234 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.385 -4.903 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.919 -3.600 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.445 -5.269 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.294 -4.389 -4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.337 -2.923 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.864 -3.890 -6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.581 -5.216 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.113 -5.827 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.351 -5.096 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.938 -7.465 -7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.480 -6.614 -7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.218 -7.322 -5.973 1.00 0.00 H new ATOM 360 N ALA A 26 -15.879 -2.352 -0.441 1.00 0.00 N ATOM 361 CA ALA A 26 -15.469 -1.787 0.834 1.00 0.00 C ATOM 362 C ALA A 26 -13.959 -1.963 1.003 1.00 0.00 C ATOM 363 O ALA A 26 -13.470 -2.123 2.120 1.00 0.00 O ATOM 364 CB ALA A 26 -16.263 -2.447 1.963 1.00 0.00 C ATOM 0 H ALA A 26 -16.587 -1.812 -0.939 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.682 -0.718 0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.956 -2.024 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.328 -2.268 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.072 -3.520 1.963 1.00 0.00 H new ATOM 370 N GLU A 27 -13.261 -1.926 -0.123 1.00 0.00 N ATOM 371 CA GLU A 27 -11.817 -2.079 -0.113 1.00 0.00 C ATOM 372 C GLU A 27 -11.156 -0.930 -0.877 1.00 0.00 C ATOM 373 O GLU A 27 -11.523 -0.645 -2.016 1.00 0.00 O ATOM 374 CB GLU A 27 -11.405 -3.433 -0.696 1.00 0.00 C ATOM 375 CG GLU A 27 -11.491 -4.534 0.363 1.00 0.00 C ATOM 376 CD GLU A 27 -10.101 -4.902 0.886 1.00 0.00 C ATOM 377 OE1 GLU A 27 -9.208 -4.033 0.784 1.00 0.00 O ATOM 378 OE2 GLU A 27 -9.963 -6.043 1.376 1.00 0.00 O ATOM 0 H GLU A 27 -13.669 -1.792 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.475 -2.046 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.051 -3.682 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.387 -3.373 -1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.118 -4.200 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.969 -5.416 -0.063 1.00 0.00 H new ATOM 385 N LEU A 28 -10.193 -0.301 -0.220 1.00 0.00 N ATOM 386 CA LEU A 28 -9.478 0.811 -0.823 1.00 0.00 C ATOM 387 C LEU A 28 -8.524 0.278 -1.894 1.00 0.00 C ATOM 388 O LEU A 28 -8.249 -0.920 -1.944 1.00 0.00 O ATOM 389 CB LEU A 28 -8.787 1.650 0.253 1.00 0.00 C ATOM 390 CG LEU A 28 -8.201 2.985 -0.210 1.00 0.00 C ATOM 391 CD1 LEU A 28 -9.295 3.902 -0.761 1.00 0.00 C ATOM 392 CD2 LEU A 28 -7.404 3.654 0.912 1.00 0.00 C ATOM 0 H LEU A 28 -9.891 -0.540 0.724 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.174 1.485 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.506 1.848 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.984 1.055 0.689 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.505 2.787 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.852 4.844 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.780 3.420 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.033 4.096 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.999 4.601 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.059 3.837 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.586 3.001 1.217 1.00 0.00 H new ATOM 404 N PHE A 29 -8.046 1.193 -2.723 1.00 0.00 N ATOM 405 CA PHE A 29 -7.129 0.830 -3.790 1.00 0.00 C ATOM 406 C PHE A 29 -6.113 1.946 -4.044 1.00 0.00 C ATOM 407 O PHE A 29 -6.463 3.125 -4.025 1.00 0.00 O ATOM 408 CB PHE A 29 -7.969 0.625 -5.052 1.00 0.00 C ATOM 409 CG PHE A 29 -8.849 -0.626 -5.017 1.00 0.00 C ATOM 410 CD1 PHE A 29 -10.113 -0.554 -4.521 1.00 0.00 C ATOM 411 CD2 PHE A 29 -8.367 -1.810 -5.482 1.00 0.00 C ATOM 412 CE1 PHE A 29 -10.930 -1.715 -4.489 1.00 0.00 C ATOM 413 CE2 PHE A 29 -9.184 -2.971 -5.449 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.448 -2.899 -4.954 1.00 0.00 C ATOM 0 H PHE A 29 -8.276 2.186 -2.678 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.579 -0.070 -3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.603 1.499 -5.200 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.304 0.565 -5.913 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.495 0.386 -4.151 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.363 -1.867 -5.876 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.934 -1.658 -4.095 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.801 -3.911 -5.817 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.070 -3.782 -4.930 1.00 0.00 H new ATOM 424 N VAL A 30 -4.875 1.535 -4.276 1.00 0.00 N ATOM 425 CA VAL A 30 -3.806 2.485 -4.533 1.00 0.00 C ATOM 426 C VAL A 30 -3.093 2.105 -5.832 1.00 0.00 C ATOM 427 O VAL A 30 -1.976 1.590 -5.803 1.00 0.00 O ATOM 428 CB VAL A 30 -2.863 2.550 -3.330 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.833 3.668 -3.501 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.647 2.721 -2.027 1.00 0.00 C ATOM 0 H VAL A 30 -4.588 0.556 -4.291 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.211 3.488 -4.666 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.325 1.604 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.175 3.693 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.242 3.484 -4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.347 4.625 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.953 2.764 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.224 3.645 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.323 1.876 -1.896 1.00 0.00 H new ATOM 440 N THR A 31 -3.768 2.373 -6.940 1.00 0.00 N ATOM 441 CA THR A 31 -3.213 2.065 -8.247 1.00 0.00 C ATOM 442 C THR A 31 -2.379 3.240 -8.763 1.00 0.00 C ATOM 443 O THR A 31 -2.259 4.263 -8.090 1.00 0.00 O ATOM 444 CB THR A 31 -4.369 1.687 -9.175 1.00 0.00 C ATOM 445 OG1 THR A 31 -5.323 2.727 -8.982 1.00 0.00 O ATOM 446 CG2 THR A 31 -5.098 0.422 -8.716 1.00 0.00 C ATOM 0 H THR A 31 -4.694 2.800 -6.960 1.00 0.00 H new ATOM 0 HA THR A 31 -2.528 1.219 -8.196 1.00 0.00 H new ATOM 0 HB THR A 31 -3.990 1.541 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.106 2.562 -9.548 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.909 0.198 -9.409 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.398 -0.413 -8.694 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.507 0.579 -7.718 1.00 0.00 H new ATOM 454 N ARG A 32 -1.826 3.055 -9.952 1.00 0.00 N ATOM 455 CA ARG A 32 -1.007 4.087 -10.566 1.00 0.00 C ATOM 456 C ARG A 32 0.218 4.378 -9.697 1.00 0.00 C ATOM 457 O ARG A 32 0.476 5.529 -9.348 1.00 0.00 O ATOM 458 CB ARG A 32 -1.804 5.378 -10.761 1.00 0.00 C ATOM 459 CG ARG A 32 -3.063 5.125 -11.593 1.00 0.00 C ATOM 460 CD ARG A 32 -2.783 5.318 -13.085 1.00 0.00 C ATOM 461 NE ARG A 32 -4.057 5.396 -13.833 1.00 0.00 N ATOM 462 CZ ARG A 32 -4.869 4.351 -14.045 1.00 0.00 C ATOM 463 NH1 ARG A 32 -4.544 3.142 -13.566 1.00 0.00 N ATOM 464 NH2 ARG A 32 -6.006 4.515 -14.735 1.00 0.00 N ATOM 0 H ARG A 32 -1.929 2.206 -10.507 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.686 3.721 -11.541 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.082 5.788 -9.790 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.181 6.123 -11.255 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.423 4.112 -11.415 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.855 5.805 -11.277 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.204 6.229 -13.240 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.181 4.490 -13.461 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.335 6.302 -14.211 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.679 3.017 -13.040 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.162 2.347 -13.727 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.254 5.435 -15.099 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.624 3.720 -14.896 1.00 0.00 H new ATOM 478 N LEU A 33 0.941 3.316 -9.374 1.00 0.00 N ATOM 479 CA LEU A 33 2.133 3.444 -8.554 1.00 0.00 C ATOM 480 C LEU A 33 3.333 3.755 -9.450 1.00 0.00 C ATOM 481 O LEU A 33 3.684 2.962 -10.322 1.00 0.00 O ATOM 482 CB LEU A 33 2.322 2.198 -7.685 1.00 0.00 C ATOM 483 CG LEU A 33 1.483 2.139 -6.407 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.494 0.731 -5.808 1.00 0.00 C ATOM 485 CD2 LEU A 33 1.945 3.193 -5.399 1.00 0.00 C ATOM 0 H LEU A 33 0.724 2.363 -9.665 1.00 0.00 H new ATOM 0 HA LEU A 33 2.029 4.277 -7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.091 1.320 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.374 2.128 -7.409 1.00 0.00 H new ATOM 0 HG LEU A 33 0.450 2.371 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.890 0.717 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.082 0.026 -6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.518 0.446 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.332 3.130 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.989 3.016 -5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.843 4.185 -5.838 1.00 0.00 H new ATOM 497 N GLU A 34 3.930 4.912 -9.204 1.00 0.00 N ATOM 498 CA GLU A 34 5.084 5.339 -9.978 1.00 0.00 C ATOM 499 C GLU A 34 6.042 6.147 -9.102 1.00 0.00 C ATOM 500 O GLU A 34 5.913 7.366 -8.995 1.00 0.00 O ATOM 501 CB GLU A 34 4.653 6.143 -11.206 1.00 0.00 C ATOM 502 CG GLU A 34 3.369 5.574 -11.812 1.00 0.00 C ATOM 503 CD GLU A 34 2.813 6.503 -12.893 1.00 0.00 C ATOM 504 OE1 GLU A 34 3.642 7.171 -13.548 1.00 0.00 O ATOM 505 OE2 GLU A 34 1.572 6.525 -13.040 1.00 0.00 O ATOM 0 H GLU A 34 3.636 5.567 -8.480 1.00 0.00 H new ATOM 0 HA GLU A 34 5.608 4.451 -10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.496 7.185 -10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.448 6.129 -11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.569 4.592 -12.240 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.624 5.435 -11.029 1.00 0.00 H new ATOM 512 N ALA A 35 6.981 5.436 -8.495 1.00 0.00 N ATOM 513 CA ALA A 35 7.961 6.073 -7.631 1.00 0.00 C ATOM 514 C ALA A 35 8.885 6.952 -8.476 1.00 0.00 C ATOM 515 O ALA A 35 9.421 6.503 -9.488 1.00 0.00 O ATOM 516 CB ALA A 35 8.727 5.002 -6.852 1.00 0.00 C ATOM 0 H ALA A 35 7.084 4.425 -8.584 1.00 0.00 H new ATOM 0 HA ALA A 35 7.469 6.717 -6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.462 5.479 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.029 4.424 -6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.236 4.338 -7.551 1.00 0.00 H new ATOM 522 N VAL A 36 9.043 8.189 -8.029 1.00 0.00 N ATOM 523 CA VAL A 36 9.893 9.136 -8.731 1.00 0.00 C ATOM 524 C VAL A 36 10.996 9.622 -7.788 1.00 0.00 C ATOM 525 O VAL A 36 10.898 10.709 -7.221 1.00 0.00 O ATOM 526 CB VAL A 36 9.047 10.277 -9.299 1.00 0.00 C ATOM 527 CG1 VAL A 36 9.928 11.451 -9.730 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.178 9.790 -10.460 1.00 0.00 C ATOM 0 H VAL A 36 8.597 8.558 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 36 10.380 8.656 -9.580 1.00 0.00 H new ATOM 0 HB VAL A 36 8.384 10.628 -8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.302 12.248 -10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.484 11.823 -8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.627 11.119 -10.498 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.587 10.621 -10.845 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.816 9.400 -11.253 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.511 9.002 -10.110 1.00 0.00 H new ATOM 538 N THR A 37 12.020 8.792 -7.650 1.00 0.00 N ATOM 539 CA THR A 37 13.140 9.124 -6.786 1.00 0.00 C ATOM 540 C THR A 37 14.370 9.484 -7.621 1.00 0.00 C ATOM 541 O THR A 37 14.837 10.622 -7.586 1.00 0.00 O ATOM 542 CB THR A 37 13.372 7.944 -5.840 1.00 0.00 C ATOM 543 OG1 THR A 37 13.887 6.918 -6.685 1.00 0.00 O ATOM 544 CG2 THR A 37 12.065 7.360 -5.299 1.00 0.00 C ATOM 0 H THR A 37 12.097 7.891 -8.122 1.00 0.00 H new ATOM 0 HA THR A 37 12.926 10.007 -6.183 1.00 0.00 H new ATOM 0 HB THR A 37 13.998 8.265 -5.007 1.00 0.00 H new ATOM 0 HG1 THR A 37 14.067 6.115 -6.152 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.287 6.526 -4.633 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.523 8.129 -4.749 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.452 7.008 -6.129 1.00 0.00 H new ATOM 552 N SER A 38 14.859 8.495 -8.353 1.00 0.00 N ATOM 553 CA SER A 38 16.026 8.693 -9.196 1.00 0.00 C ATOM 554 C SER A 38 17.299 8.626 -8.351 1.00 0.00 C ATOM 555 O SER A 38 17.732 9.633 -7.794 1.00 0.00 O ATOM 556 CB SER A 38 15.949 10.030 -9.936 1.00 0.00 C ATOM 557 OG SER A 38 14.635 10.301 -10.416 1.00 0.00 O ATOM 0 H SER A 38 14.468 7.553 -8.380 1.00 0.00 H new ATOM 0 HA SER A 38 16.050 7.897 -9.940 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.263 10.832 -9.268 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.646 10.021 -10.774 1.00 0.00 H new ATOM 0 HG SER A 38 14.628 11.164 -10.881 1.00 0.00 H new ATOM 563 N ASN A 39 17.864 7.429 -8.283 1.00 0.00 N ATOM 564 CA ASN A 39 19.079 7.218 -7.516 1.00 0.00 C ATOM 565 C ASN A 39 19.517 5.758 -7.654 1.00 0.00 C ATOM 566 O ASN A 39 18.701 4.887 -7.951 1.00 0.00 O ATOM 567 CB ASN A 39 18.850 7.504 -6.031 1.00 0.00 C ATOM 568 CG ASN A 39 20.053 8.222 -5.418 1.00 0.00 C ATOM 569 OD1 ASN A 39 21.024 7.614 -4.998 1.00 0.00 O ATOM 570 ND2 ASN A 39 19.937 9.547 -5.392 1.00 0.00 N ATOM 0 H ASN A 39 17.502 6.596 -8.747 1.00 0.00 H new ATOM 0 HA ASN A 39 19.842 7.895 -7.900 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.956 8.116 -5.909 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.671 6.569 -5.500 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.688 10.117 -5.004 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.097 9.993 -5.760 1.00 0.00 H new ATOM 577 N HIS A 40 20.804 5.536 -7.433 1.00 0.00 N ATOM 578 CA HIS A 40 21.360 4.197 -7.529 1.00 0.00 C ATOM 579 C HIS A 40 22.418 4.001 -6.442 1.00 0.00 C ATOM 580 O HIS A 40 23.580 3.733 -6.742 1.00 0.00 O ATOM 581 CB HIS A 40 21.900 3.933 -8.936 1.00 0.00 C ATOM 582 CG HIS A 40 22.598 2.602 -9.087 1.00 0.00 C ATOM 583 ND1 HIS A 40 23.436 2.310 -10.149 1.00 0.00 N ATOM 584 CD2 HIS A 40 22.573 1.489 -8.298 1.00 0.00 C ATOM 585 CE1 HIS A 40 23.889 1.075 -9.997 1.00 0.00 C ATOM 586 NE2 HIS A 40 23.353 0.567 -8.850 1.00 0.00 N ATOM 0 H HIS A 40 21.478 6.261 -7.188 1.00 0.00 H new ATOM 0 HA HIS A 40 20.575 3.460 -7.360 1.00 0.00 H new ATOM 0 HB2 HIS A 40 21.074 3.981 -9.646 1.00 0.00 H new ATOM 0 HB3 HIS A 40 22.596 4.729 -9.202 1.00 0.00 H new ATOM 0 HD2 HIS A 40 22.014 1.377 -7.381 1.00 0.00 H new ATOM 0 HE1 HIS A 40 24.564 0.560 -10.664 1.00 0.00 H new ATOM 0 HE2 HIS A 40 23.523 -0.367 -8.478 1.00 0.00 H new ATOM 594 N ASP A 41 21.977 4.143 -5.200 1.00 0.00 N ATOM 595 CA ASP A 41 22.872 3.985 -4.066 1.00 0.00 C ATOM 596 C ASP A 41 22.500 2.713 -3.302 1.00 0.00 C ATOM 597 O ASP A 41 23.354 1.865 -3.048 1.00 0.00 O ATOM 598 CB ASP A 41 22.753 5.167 -3.102 1.00 0.00 C ATOM 599 CG ASP A 41 24.072 5.870 -2.776 1.00 0.00 C ATOM 600 OD1 ASP A 41 24.986 5.167 -2.292 1.00 0.00 O ATOM 601 OD2 ASP A 41 24.137 7.095 -3.017 1.00 0.00 O ATOM 0 H ASP A 41 21.012 4.366 -4.955 1.00 0.00 H new ATOM 0 HA ASP A 41 23.892 3.931 -4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 41 22.065 5.897 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 41 22.307 4.815 -2.172 1.00 0.00 H new ATOM 606 N GLY A 42 21.224 2.619 -2.957 1.00 0.00 N ATOM 607 CA GLY A 42 20.729 1.465 -2.228 1.00 0.00 C ATOM 608 C GLY A 42 21.090 0.164 -2.948 1.00 0.00 C ATOM 609 O GLY A 42 21.793 -0.681 -2.395 1.00 0.00 O ATOM 0 H GLY A 42 20.518 3.324 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 42 21.151 1.457 -1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 42 19.647 1.536 -2.119 1.00 0.00 H new ATOM 613 N GLY A 43 20.594 0.044 -4.171 1.00 0.00 N ATOM 614 CA GLY A 43 20.856 -1.139 -4.972 1.00 0.00 C ATOM 615 C GLY A 43 19.740 -2.172 -4.806 1.00 0.00 C ATOM 616 O GLY A 43 19.192 -2.663 -5.792 1.00 0.00 O ATOM 0 H GLY A 43 20.012 0.747 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 43 20.944 -0.859 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 43 21.809 -1.578 -4.678 1.00 0.00 H new ATOM 620 N CYS A 44 19.437 -2.471 -3.551 1.00 0.00 N ATOM 621 CA CYS A 44 18.396 -3.437 -3.244 1.00 0.00 C ATOM 622 C CYS A 44 17.143 -3.064 -4.039 1.00 0.00 C ATOM 623 O CYS A 44 17.094 -2.006 -4.665 1.00 0.00 O ATOM 624 CB CYS A 44 18.117 -3.509 -1.741 1.00 0.00 C ATOM 625 SG CYS A 44 19.358 -4.578 -0.924 1.00 0.00 S ATOM 0 H CYS A 44 19.894 -2.062 -2.736 1.00 0.00 H new ATOM 0 HA CYS A 44 18.726 -4.434 -3.535 1.00 0.00 H new ATOM 0 HB2 CYS A 44 18.146 -2.509 -1.309 1.00 0.00 H new ATOM 0 HB3 CYS A 44 17.115 -3.902 -1.567 1.00 0.00 H new ATOM 0 HG CYS A 44 18.807 -5.193 0.080 1.00 0.00 H new ATOM 631 N ASP A 45 16.162 -3.953 -3.988 1.00 0.00 N ATOM 632 CA ASP A 45 14.913 -3.730 -4.696 1.00 0.00 C ATOM 633 C ASP A 45 14.012 -2.821 -3.859 1.00 0.00 C ATOM 634 O ASP A 45 13.954 -2.953 -2.637 1.00 0.00 O ATOM 635 CB ASP A 45 14.170 -5.047 -4.930 1.00 0.00 C ATOM 636 CG ASP A 45 14.295 -5.618 -6.344 1.00 0.00 C ATOM 637 OD1 ASP A 45 14.825 -4.886 -7.207 1.00 0.00 O ATOM 638 OD2 ASP A 45 13.859 -6.775 -6.529 1.00 0.00 O ATOM 0 H ASP A 45 16.207 -4.829 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 45 15.147 -3.272 -5.657 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.542 -5.787 -4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.114 -4.895 -4.708 1.00 0.00 H new ATOM 643 N CYS A 46 13.332 -1.917 -4.549 1.00 0.00 N ATOM 644 CA CYS A 46 12.437 -0.986 -3.883 1.00 0.00 C ATOM 645 C CYS A 46 10.997 -1.382 -4.217 1.00 0.00 C ATOM 646 O CYS A 46 10.704 -1.777 -5.344 1.00 0.00 O ATOM 647 CB CYS A 46 12.735 0.463 -4.274 1.00 0.00 C ATOM 648 SG CYS A 46 12.077 0.809 -5.946 1.00 0.00 S ATOM 0 H CYS A 46 13.383 -1.810 -5.562 1.00 0.00 H new ATOM 0 HA CYS A 46 12.588 -1.041 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.286 1.143 -3.550 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.810 0.640 -4.254 1.00 0.00 H new ATOM 0 HG CYS A 46 11.423 -0.228 -6.378 1.00 0.00 H new ATOM 654 N TYR A 47 10.137 -1.262 -3.217 1.00 0.00 N ATOM 655 CA TYR A 47 8.735 -1.602 -3.390 1.00 0.00 C ATOM 656 C TYR A 47 7.838 -0.660 -2.584 1.00 0.00 C ATOM 657 O TYR A 47 8.261 -0.115 -1.566 1.00 0.00 O ATOM 658 CB TYR A 47 8.576 -3.025 -2.850 1.00 0.00 C ATOM 659 CG TYR A 47 9.086 -3.208 -1.419 1.00 0.00 C ATOM 660 CD1 TYR A 47 10.442 -3.306 -1.177 1.00 0.00 C ATOM 661 CD2 TYR A 47 8.192 -3.274 -0.371 1.00 0.00 C ATOM 662 CE1 TYR A 47 10.922 -3.478 0.170 1.00 0.00 C ATOM 663 CE2 TYR A 47 8.672 -3.446 0.976 1.00 0.00 C ATOM 664 CZ TYR A 47 10.013 -3.540 1.180 1.00 0.00 C ATOM 665 OH TYR A 47 10.466 -3.702 2.452 1.00 0.00 O ATOM 0 H TYR A 47 10.384 -0.934 -2.283 1.00 0.00 H new ATOM 0 HA TYR A 47 8.447 -1.518 -4.438 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.522 -3.301 -2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.109 -3.713 -3.506 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.142 -3.254 -1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.132 -3.197 -0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.980 -3.556 0.374 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.982 -3.499 1.805 1.00 0.00 H new ATOM 0 HH TYR A 47 9.724 -3.585 3.081 1.00 0.00 H new ATOM 675 N VAL A 48 6.616 -0.499 -3.069 1.00 0.00 N ATOM 676 CA VAL A 48 5.656 0.367 -2.406 1.00 0.00 C ATOM 677 C VAL A 48 4.834 -0.456 -1.412 1.00 0.00 C ATOM 678 O VAL A 48 4.529 -1.620 -1.668 1.00 0.00 O ATOM 679 CB VAL A 48 4.793 1.084 -3.447 1.00 0.00 C ATOM 680 CG1 VAL A 48 3.938 2.172 -2.794 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.656 1.665 -4.569 1.00 0.00 C ATOM 0 H VAL A 48 6.268 -0.954 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 48 6.170 1.143 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 48 4.120 0.349 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.334 2.666 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.284 1.722 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.586 2.905 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.018 2.169 -5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.364 2.380 -4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.202 0.860 -5.062 1.00 0.00 H new ATOM 691 N GLN A 49 4.499 0.181 -0.300 1.00 0.00 N ATOM 692 CA GLN A 49 3.718 -0.478 0.733 1.00 0.00 C ATOM 693 C GLN A 49 2.600 0.445 1.222 1.00 0.00 C ATOM 694 O GLN A 49 2.852 1.590 1.594 1.00 0.00 O ATOM 695 CB GLN A 49 4.610 -0.922 1.894 1.00 0.00 C ATOM 696 CG GLN A 49 3.788 -1.619 2.981 1.00 0.00 C ATOM 697 CD GLN A 49 4.335 -1.298 4.373 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.078 -0.351 4.573 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.927 -2.136 5.321 1.00 0.00 N ATOM 0 H GLN A 49 4.754 1.146 -0.092 1.00 0.00 H new ATOM 0 HA GLN A 49 3.264 -1.371 0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.382 -1.598 1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.120 -0.057 2.317 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.747 -1.303 2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.805 -2.697 2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.305 -2.909 5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.236 -2.006 6.284 1.00 0.00 H new ATOM 708 N GLY A 50 1.387 -0.089 1.206 1.00 0.00 N ATOM 709 CA GLY A 50 0.229 0.672 1.644 1.00 0.00 C ATOM 710 C GLY A 50 -0.389 0.057 2.901 1.00 0.00 C ATOM 711 O GLY A 50 -0.790 -1.106 2.895 1.00 0.00 O ATOM 0 H GLY A 50 1.181 -1.039 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.522 1.702 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.514 0.702 0.847 1.00 0.00 H new ATOM 715 N SER A 51 -0.445 0.864 3.950 1.00 0.00 N ATOM 716 CA SER A 51 -1.007 0.413 5.212 1.00 0.00 C ATOM 717 C SER A 51 -2.122 1.362 5.657 1.00 0.00 C ATOM 718 O SER A 51 -2.036 2.570 5.443 1.00 0.00 O ATOM 719 CB SER A 51 0.072 0.318 6.293 1.00 0.00 C ATOM 720 OG SER A 51 -0.374 -0.416 7.429 1.00 0.00 O ATOM 0 H SER A 51 -0.110 1.828 3.952 1.00 0.00 H new ATOM 0 HA SER A 51 -1.424 -0.583 5.064 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.960 -0.160 5.878 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.365 1.321 6.602 1.00 0.00 H new ATOM 0 HG SER A 51 -1.237 -0.835 7.230 1.00 0.00 H new ATOM 726 N VAL A 52 -3.142 0.779 6.269 1.00 0.00 N ATOM 727 CA VAL A 52 -4.273 1.558 6.746 1.00 0.00 C ATOM 728 C VAL A 52 -4.543 1.211 8.212 1.00 0.00 C ATOM 729 O VAL A 52 -4.184 0.129 8.673 1.00 0.00 O ATOM 730 CB VAL A 52 -5.486 1.325 5.844 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.749 1.088 6.674 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.679 2.492 4.873 1.00 0.00 C ATOM 0 H VAL A 52 -3.209 -0.223 6.446 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.050 2.624 6.699 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.299 0.427 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.597 0.925 6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.610 0.211 7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.942 1.959 7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.548 2.301 4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.834 3.412 5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.793 2.595 4.247 1.00 0.00 H new ATOM 742 N ALA A 53 -5.172 2.151 8.902 1.00 0.00 N ATOM 743 CA ALA A 53 -5.494 1.959 10.306 1.00 0.00 C ATOM 744 C ALA A 53 -6.948 2.366 10.552 1.00 0.00 C ATOM 745 O ALA A 53 -7.288 3.546 10.470 1.00 0.00 O ATOM 746 CB ALA A 53 -4.511 2.753 11.169 1.00 0.00 C ATOM 0 H ALA A 53 -5.467 3.047 8.515 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.395 0.909 10.582 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.753 2.609 12.222 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.496 2.404 10.979 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.583 3.812 10.922 1.00 0.00 H new ATOM 752 N ASN A 54 -7.767 1.368 10.849 1.00 0.00 N ATOM 753 CA ASN A 54 -9.176 1.608 11.107 1.00 0.00 C ATOM 754 C ASN A 54 -9.483 1.289 12.572 1.00 0.00 C ATOM 755 O ASN A 54 -8.802 0.473 13.189 1.00 0.00 O ATOM 756 CB ASN A 54 -10.057 0.712 10.234 1.00 0.00 C ATOM 757 CG ASN A 54 -9.241 -0.428 9.620 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.560 -1.175 10.303 1.00 0.00 O ATOM 759 ND2 ASN A 54 -9.348 -0.518 8.298 1.00 0.00 N ATOM 0 H ASN A 54 -7.481 0.391 10.917 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.387 2.653 10.879 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.870 0.301 10.833 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.513 1.305 9.442 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.842 -1.246 7.794 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.936 0.141 7.788 1.00 0.00 H new ATOM 766 N ARG A 55 -10.510 1.951 13.085 1.00 0.00 N ATOM 767 CA ARG A 55 -10.916 1.748 14.466 1.00 0.00 C ATOM 768 C ARG A 55 -11.038 0.254 14.769 1.00 0.00 C ATOM 769 O ARG A 55 -10.965 -0.157 15.926 1.00 0.00 O ATOM 770 CB ARG A 55 -12.255 2.431 14.752 1.00 0.00 C ATOM 771 CG ARG A 55 -12.045 3.864 15.246 1.00 0.00 C ATOM 772 CD ARG A 55 -13.380 4.599 15.382 1.00 0.00 C ATOM 773 NE ARG A 55 -13.189 5.863 16.126 1.00 0.00 N ATOM 774 CZ ARG A 55 -14.108 6.835 16.206 1.00 0.00 C ATOM 775 NH1 ARG A 55 -15.289 6.692 15.588 1.00 0.00 N ATOM 776 NH2 ARG A 55 -13.848 7.948 16.904 1.00 0.00 N ATOM 0 H ARG A 55 -11.073 2.628 12.570 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.152 2.190 15.105 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.863 2.440 13.848 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.805 1.861 15.501 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.534 3.849 16.209 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.399 4.401 14.551 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.792 4.807 14.395 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.101 3.967 15.901 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.302 6.004 16.609 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.488 5.844 15.057 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.989 7.431 15.648 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.950 8.056 17.375 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.548 8.687 16.964 1.00 0.00 H new ATOM 790 N THR A 56 -11.223 -0.520 13.709 1.00 0.00 N ATOM 791 CA THR A 56 -11.356 -1.960 13.847 1.00 0.00 C ATOM 792 C THR A 56 -9.979 -2.613 13.976 1.00 0.00 C ATOM 793 O THR A 56 -9.827 -3.621 14.665 1.00 0.00 O ATOM 794 CB THR A 56 -12.165 -2.476 12.655 1.00 0.00 C ATOM 795 OG1 THR A 56 -11.369 -2.137 11.523 1.00 0.00 O ATOM 796 CG2 THR A 56 -13.463 -1.695 12.446 1.00 0.00 C ATOM 0 H THR A 56 -11.284 -0.176 12.751 1.00 0.00 H new ATOM 0 HA THR A 56 -11.891 -2.222 14.760 1.00 0.00 H new ATOM 0 HB THR A 56 -12.397 -3.531 12.803 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.818 -2.437 10.705 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.998 -2.102 11.588 1.00 0.00 H new ATOM 0 HG22 THR A 56 -14.086 -1.780 13.336 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.231 -0.646 12.265 1.00 0.00 H new ATOM 804 N GLY A 57 -9.009 -2.012 13.302 1.00 0.00 N ATOM 805 CA GLY A 57 -7.649 -2.523 13.332 1.00 0.00 C ATOM 806 C GLY A 57 -6.768 -1.797 12.314 1.00 0.00 C ATOM 807 O GLY A 57 -6.863 -0.580 12.161 1.00 0.00 O ATOM 0 H GLY A 57 -9.138 -1.176 12.732 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.233 -2.400 14.332 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.653 -3.592 13.118 1.00 0.00 H new ATOM 811 N SER A 58 -5.929 -2.574 11.644 1.00 0.00 N ATOM 812 CA SER A 58 -5.032 -2.020 10.645 1.00 0.00 C ATOM 813 C SER A 58 -4.754 -3.059 9.557 1.00 0.00 C ATOM 814 O SER A 58 -4.827 -4.261 9.809 1.00 0.00 O ATOM 815 CB SER A 58 -3.721 -1.553 11.280 1.00 0.00 C ATOM 816 OG SER A 58 -3.060 -2.606 11.976 1.00 0.00 O ATOM 0 H SER A 58 -5.852 -3.583 11.774 1.00 0.00 H new ATOM 0 HA SER A 58 -5.516 -1.153 10.195 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.062 -1.161 10.505 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.924 -0.734 11.970 1.00 0.00 H new ATOM 0 HG SER A 58 -2.227 -2.268 12.366 1.00 0.00 H new ATOM 822 N VAL A 59 -4.440 -2.559 8.371 1.00 0.00 N ATOM 823 CA VAL A 59 -4.151 -3.429 7.244 1.00 0.00 C ATOM 824 C VAL A 59 -2.820 -3.014 6.613 1.00 0.00 C ATOM 825 O VAL A 59 -2.322 -1.919 6.870 1.00 0.00 O ATOM 826 CB VAL A 59 -5.316 -3.406 6.253 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.447 -4.328 6.714 1.00 0.00 C ATOM 828 CG2 VAL A 59 -5.824 -1.979 6.037 1.00 0.00 C ATOM 0 H VAL A 59 -4.379 -1.562 8.166 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.045 -4.462 7.576 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.950 -3.779 5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.262 -4.293 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.075 -5.350 6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.810 -3.999 7.688 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.652 -1.991 5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.165 -1.567 6.987 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.017 -1.361 5.642 1.00 0.00 H new ATOM 838 N GLU A 60 -2.282 -3.911 5.800 1.00 0.00 N ATOM 839 CA GLU A 60 -1.019 -3.652 5.130 1.00 0.00 C ATOM 840 C GLU A 60 -0.964 -4.397 3.795 1.00 0.00 C ATOM 841 O GLU A 60 -1.589 -5.444 3.638 1.00 0.00 O ATOM 842 CB GLU A 60 0.163 -4.036 6.022 1.00 0.00 C ATOM 843 CG GLU A 60 0.475 -2.926 7.028 1.00 0.00 C ATOM 844 CD GLU A 60 1.582 -3.356 7.993 1.00 0.00 C ATOM 845 OE1 GLU A 60 1.262 -4.147 8.907 1.00 0.00 O ATOM 846 OE2 GLU A 60 2.722 -2.884 7.796 1.00 0.00 O ATOM 0 H GLU A 60 -2.698 -4.818 5.590 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.948 -2.583 4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.063 -4.960 6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.041 -4.230 5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.780 -2.024 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.425 -2.676 7.590 1.00 0.00 H new ATOM 853 N ALA A 61 -0.209 -3.827 2.867 1.00 0.00 N ATOM 854 CA ALA A 61 -0.063 -4.424 1.550 1.00 0.00 C ATOM 855 C ALA A 61 1.146 -3.806 0.846 1.00 0.00 C ATOM 856 O ALA A 61 1.662 -2.777 1.279 1.00 0.00 O ATOM 857 CB ALA A 61 -1.359 -4.235 0.758 1.00 0.00 C ATOM 0 H ALA A 61 0.308 -2.958 3.001 1.00 0.00 H new ATOM 0 HA ALA A 61 0.116 -5.496 1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.250 -4.683 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.182 -4.717 1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.569 -3.171 0.653 1.00 0.00 H new ATOM 863 N GLN A 62 1.563 -4.460 -0.228 1.00 0.00 N ATOM 864 CA GLN A 62 2.702 -3.988 -0.997 1.00 0.00 C ATOM 865 C GLN A 62 2.710 -4.632 -2.385 1.00 0.00 C ATOM 866 O GLN A 62 1.927 -5.541 -2.655 1.00 0.00 O ATOM 867 CB GLN A 62 4.014 -4.262 -0.258 1.00 0.00 C ATOM 868 CG GLN A 62 4.062 -5.702 0.258 1.00 0.00 C ATOM 869 CD GLN A 62 4.894 -6.590 -0.669 1.00 0.00 C ATOM 870 OE1 GLN A 62 4.411 -7.134 -1.648 1.00 0.00 O ATOM 871 NE2 GLN A 62 6.169 -6.705 -0.307 1.00 0.00 N ATOM 0 H GLN A 62 1.132 -5.313 -0.584 1.00 0.00 H new ATOM 0 HA GLN A 62 2.610 -2.909 -1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.856 -4.083 -0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.117 -3.569 0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.488 -5.718 1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.050 -6.098 0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.508 -6.222 0.525 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.807 -7.276 -0.861 1.00 0.00 H new ATOM 880 N THR A 63 3.603 -4.135 -3.228 1.00 0.00 N ATOM 881 CA THR A 63 3.722 -4.650 -4.581 1.00 0.00 C ATOM 882 C THR A 63 4.984 -5.505 -4.717 1.00 0.00 C ATOM 883 O THR A 63 5.780 -5.595 -3.783 1.00 0.00 O ATOM 884 CB THR A 63 3.687 -3.462 -5.544 1.00 0.00 C ATOM 885 OG1 THR A 63 4.746 -2.620 -5.096 1.00 0.00 O ATOM 886 CG2 THR A 63 2.432 -2.605 -5.371 1.00 0.00 C ATOM 0 H THR A 63 4.251 -3.381 -3.000 1.00 0.00 H new ATOM 0 HA THR A 63 2.891 -5.311 -4.827 1.00 0.00 H new ATOM 0 HB THR A 63 3.740 -3.826 -6.570 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.366 -2.452 -5.836 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.457 -1.776 -6.078 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.547 -3.214 -5.557 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.396 -2.214 -4.354 1.00 0.00 H new ATOM 894 N ALA A 64 5.127 -6.111 -5.886 1.00 0.00 N ATOM 895 CA ALA A 64 6.278 -6.955 -6.156 1.00 0.00 C ATOM 896 C ALA A 64 7.519 -6.077 -6.332 1.00 0.00 C ATOM 897 O ALA A 64 7.473 -5.064 -7.028 1.00 0.00 O ATOM 898 CB ALA A 64 5.998 -7.822 -7.385 1.00 0.00 C ATOM 0 H ALA A 64 4.464 -6.034 -6.658 1.00 0.00 H new ATOM 0 HA ALA A 64 6.466 -7.627 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.862 -8.455 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.125 -8.447 -7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.807 -7.182 -8.246 1.00 0.00 H new ATOM 904 N LEU A 65 8.598 -6.499 -5.689 1.00 0.00 N ATOM 905 CA LEU A 65 9.849 -5.764 -5.765 1.00 0.00 C ATOM 906 C LEU A 65 10.070 -5.290 -7.203 1.00 0.00 C ATOM 907 O LEU A 65 9.575 -5.905 -8.146 1.00 0.00 O ATOM 908 CB LEU A 65 11.000 -6.606 -5.211 1.00 0.00 C ATOM 909 CG LEU A 65 11.111 -6.669 -3.687 1.00 0.00 C ATOM 910 CD1 LEU A 65 11.065 -5.268 -3.075 1.00 0.00 C ATOM 911 CD2 LEU A 65 10.040 -7.588 -3.096 1.00 0.00 C ATOM 0 H LEU A 65 8.632 -7.340 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 65 9.806 -4.873 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.896 -7.623 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.936 -6.212 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 65 12.080 -7.099 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.146 -5.342 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.894 -4.675 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.122 -4.787 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.142 -7.615 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.052 -7.211 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.163 -8.594 -3.497 1.00 0.00 H new ATOM 923 N LYS A 66 10.815 -4.201 -7.326 1.00 0.00 N ATOM 924 CA LYS A 66 11.108 -3.638 -8.633 1.00 0.00 C ATOM 925 C LYS A 66 12.471 -2.943 -8.590 1.00 0.00 C ATOM 926 O LYS A 66 12.792 -2.258 -7.621 1.00 0.00 O ATOM 927 CB LYS A 66 9.968 -2.727 -9.091 1.00 0.00 C ATOM 928 CG LYS A 66 8.894 -3.525 -9.835 1.00 0.00 C ATOM 929 CD LYS A 66 8.753 -3.040 -11.279 1.00 0.00 C ATOM 930 CE LYS A 66 7.283 -2.990 -11.700 1.00 0.00 C ATOM 931 NZ LYS A 66 7.163 -3.065 -13.173 1.00 0.00 N ATOM 0 H LYS A 66 11.225 -3.694 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 66 11.175 -4.427 -9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.525 -2.231 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.361 -1.945 -9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.152 -4.584 -9.827 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.939 -3.425 -9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.197 -2.050 -11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.303 -3.705 -11.945 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.739 -3.816 -11.242 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.826 -2.069 -11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.586 -2.270 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.109 -3.016 -13.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.709 -3.962 -13.439 1.00 0.00 H new ATOM 945 N LYS A 67 13.235 -3.145 -9.653 1.00 0.00 N ATOM 946 CA LYS A 67 14.556 -2.546 -9.750 1.00 0.00 C ATOM 947 C LYS A 67 14.433 -1.027 -9.623 1.00 0.00 C ATOM 948 O LYS A 67 13.525 -0.424 -10.194 1.00 0.00 O ATOM 949 CB LYS A 67 15.258 -3.002 -11.030 1.00 0.00 C ATOM 950 CG LYS A 67 15.182 -1.921 -12.111 1.00 0.00 C ATOM 951 CD LYS A 67 13.758 -1.787 -12.653 1.00 0.00 C ATOM 952 CE LYS A 67 13.469 -2.857 -13.708 1.00 0.00 C ATOM 953 NZ LYS A 67 12.070 -2.754 -14.181 1.00 0.00 N ATOM 0 H LYS A 67 12.965 -3.715 -10.455 1.00 0.00 H new ATOM 0 HA LYS A 67 15.189 -2.884 -8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.301 -3.233 -10.814 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.797 -3.920 -11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.510 -0.966 -11.699 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.863 -2.168 -12.925 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.044 -1.876 -11.834 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.622 -0.797 -13.088 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.153 -2.741 -14.549 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.645 -3.847 -13.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.891 -3.487 -14.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.422 -2.887 -13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.914 -1.815 -14.601 1.00 0.00 H new ATOM 967 N ARG A 68 15.359 -0.451 -8.871 1.00 0.00 N ATOM 968 CA ARG A 68 15.366 0.987 -8.662 1.00 0.00 C ATOM 969 C ARG A 68 15.555 1.716 -9.994 1.00 0.00 C ATOM 970 O ARG A 68 16.483 1.416 -10.743 1.00 0.00 O ATOM 971 CB ARG A 68 16.482 1.399 -7.700 1.00 0.00 C ATOM 972 CG ARG A 68 16.125 2.694 -6.968 1.00 0.00 C ATOM 973 CD ARG A 68 15.749 2.415 -5.511 1.00 0.00 C ATOM 974 NE ARG A 68 15.651 3.687 -4.761 1.00 0.00 N ATOM 975 CZ ARG A 68 16.707 4.415 -4.374 1.00 0.00 C ATOM 976 NH1 ARG A 68 17.948 4.002 -4.664 1.00 0.00 N ATOM 977 NH2 ARG A 68 16.522 5.557 -3.698 1.00 0.00 N ATOM 0 H ARG A 68 16.110 -0.954 -8.399 1.00 0.00 H new ATOM 0 HA ARG A 68 14.406 1.263 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.654 0.603 -6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.412 1.534 -8.253 1.00 0.00 H new ATOM 0 HG2 ARG A 68 16.970 3.381 -7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.294 3.185 -7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.798 1.884 -5.468 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.497 1.769 -5.051 1.00 0.00 H new ATOM 0 HE ARG A 68 14.721 4.031 -4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.089 3.133 -5.180 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.752 4.556 -4.369 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.577 5.872 -3.478 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.326 6.111 -3.403 1.00 0.00 H new ATOM 991 N GLN A 69 14.661 2.660 -10.248 1.00 0.00 N ATOM 992 CA GLN A 69 14.717 3.434 -11.476 1.00 0.00 C ATOM 993 C GLN A 69 14.255 4.870 -11.220 1.00 0.00 C ATOM 994 O GLN A 69 13.927 5.229 -10.090 1.00 0.00 O ATOM 995 CB GLN A 69 13.883 2.778 -12.577 1.00 0.00 C ATOM 996 CG GLN A 69 14.547 1.493 -13.076 1.00 0.00 C ATOM 997 CD GLN A 69 15.961 1.771 -13.591 1.00 0.00 C ATOM 998 OE1 GLN A 69 16.328 2.894 -13.898 1.00 0.00 O ATOM 999 NE2 GLN A 69 16.731 0.690 -13.669 1.00 0.00 N ATOM 0 H GLN A 69 13.893 2.907 -9.624 1.00 0.00 H new ATOM 0 HA GLN A 69 15.752 3.461 -11.818 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.886 2.553 -12.198 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.759 3.473 -13.407 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.587 0.763 -12.268 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.946 1.054 -13.872 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.361 -0.220 -13.396 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.692 0.771 -14.002 1.00 0.00 H new ATOM 1008 N LEU A 70 14.244 5.654 -12.289 1.00 0.00 N ATOM 1009 CA LEU A 70 13.828 7.043 -12.194 1.00 0.00 C ATOM 1010 C LEU A 70 12.301 7.118 -12.253 1.00 0.00 C ATOM 1011 O LEU A 70 11.708 8.112 -11.836 1.00 0.00 O ATOM 1012 CB LEU A 70 14.527 7.885 -13.263 1.00 0.00 C ATOM 1013 CG LEU A 70 16.025 8.119 -13.059 1.00 0.00 C ATOM 1014 CD1 LEU A 70 16.842 6.949 -13.610 1.00 0.00 C ATOM 1015 CD2 LEU A 70 16.459 9.456 -13.664 1.00 0.00 C ATOM 0 H LEU A 70 14.516 5.353 -13.225 1.00 0.00 H new ATOM 0 HA LEU A 70 14.132 7.468 -11.237 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.383 7.402 -14.229 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.032 8.855 -13.315 1.00 0.00 H new ATOM 0 HG LEU A 70 16.220 8.172 -11.988 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.903 7.140 -13.452 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.558 6.032 -13.094 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.647 6.840 -14.677 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.528 9.597 -13.505 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.248 9.457 -14.733 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.911 10.267 -13.185 1.00 0.00 H new ATOM 1027 N HIS A 71 11.708 6.054 -12.774 1.00 0.00 N ATOM 1028 CA HIS A 71 10.261 5.987 -12.893 1.00 0.00 C ATOM 1029 C HIS A 71 9.811 4.525 -12.862 1.00 0.00 C ATOM 1030 O HIS A 71 9.485 3.950 -13.899 1.00 0.00 O ATOM 1031 CB HIS A 71 9.783 6.728 -14.143 1.00 0.00 C ATOM 1032 CG HIS A 71 8.410 7.340 -14.007 1.00 0.00 C ATOM 1033 ND1 HIS A 71 7.787 8.020 -15.039 1.00 0.00 N ATOM 1034 CD2 HIS A 71 7.546 7.365 -12.952 1.00 0.00 C ATOM 1035 CE1 HIS A 71 6.602 8.433 -14.612 1.00 0.00 C ATOM 1036 NE2 HIS A 71 6.455 8.027 -13.319 1.00 0.00 N ATOM 0 H HIS A 71 12.203 5.231 -13.119 1.00 0.00 H new ATOM 0 HA HIS A 71 9.799 6.492 -12.044 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.498 7.515 -14.382 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.779 6.035 -14.984 1.00 0.00 H new ATOM 0 HD1 HIS A 71 8.174 8.177 -15.970 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.720 6.922 -11.983 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.880 8.993 -15.188 1.00 0.00 H new ATOM 1044 N THR A 72 9.807 3.965 -11.661 1.00 0.00 N ATOM 1045 CA THR A 72 9.402 2.582 -11.481 1.00 0.00 C ATOM 1046 C THR A 72 7.877 2.478 -11.404 1.00 0.00 C ATOM 1047 O THR A 72 7.265 2.972 -10.459 1.00 0.00 O ATOM 1048 CB THR A 72 10.111 2.039 -10.239 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.490 2.035 -10.600 1.00 0.00 O ATOM 1050 CG2 THR A 72 9.790 0.566 -9.978 1.00 0.00 C ATOM 0 H THR A 72 10.078 4.445 -10.803 1.00 0.00 H new ATOM 0 HA THR A 72 9.696 1.970 -12.334 1.00 0.00 H new ATOM 0 HB THR A 72 9.825 2.632 -9.370 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.882 1.163 -10.385 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.319 0.231 -9.086 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.717 0.448 -9.830 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.106 -0.032 -10.833 1.00 0.00 H new ATOM 1058 N THR A 73 7.309 1.831 -12.411 1.00 0.00 N ATOM 1059 CA THR A 73 5.868 1.656 -12.470 1.00 0.00 C ATOM 1060 C THR A 73 5.503 0.179 -12.307 1.00 0.00 C ATOM 1061 O THR A 73 6.138 -0.690 -12.902 1.00 0.00 O ATOM 1062 CB THR A 73 5.370 2.263 -13.783 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.296 1.789 -14.757 1.00 0.00 O ATOM 1064 CG2 THR A 73 5.534 3.784 -13.824 1.00 0.00 C ATOM 0 H THR A 73 7.821 1.422 -13.193 1.00 0.00 H new ATOM 0 HA THR A 73 5.374 2.174 -11.648 1.00 0.00 H new ATOM 0 HB THR A 73 4.320 2.007 -13.927 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.047 2.134 -15.640 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.165 4.164 -14.777 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.966 4.233 -13.010 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.588 4.039 -13.715 1.00 0.00 H new ATOM 1072 N TRP A 74 4.482 -0.059 -11.497 1.00 0.00 N ATOM 1073 CA TRP A 74 4.025 -1.416 -11.248 1.00 0.00 C ATOM 1074 C TRP A 74 2.814 -1.679 -12.146 1.00 0.00 C ATOM 1075 O TRP A 74 2.183 -0.743 -12.633 1.00 0.00 O ATOM 1076 CB TRP A 74 3.725 -1.630 -9.763 1.00 0.00 C ATOM 1077 CG TRP A 74 4.972 -1.683 -8.878 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.610 -2.767 -8.416 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.711 -0.555 -8.364 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.701 -2.422 -7.645 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.765 -1.034 -7.613 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.496 0.825 -8.529 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.686 -0.201 -6.967 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.426 1.644 -7.877 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.492 1.177 -7.117 1.00 0.00 C ATOM 0 H TRP A 74 3.958 0.665 -11.005 1.00 0.00 H new ATOM 0 HA TRP A 74 4.805 -2.137 -11.494 1.00 0.00 H new ATOM 0 HB2 TRP A 74 3.078 -0.825 -9.414 1.00 0.00 H new ATOM 0 HB3 TRP A 74 3.169 -2.560 -9.645 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.308 -3.783 -8.621 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.342 -3.067 -7.183 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.678 1.222 -9.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.503 -0.600 -6.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.307 2.713 -7.971 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.168 1.874 -6.644 1.00 0.00 H new ATOM 1096 N GLU A 75 2.527 -2.958 -12.338 1.00 0.00 N ATOM 1097 CA GLU A 75 1.404 -3.357 -13.168 1.00 0.00 C ATOM 1098 C GLU A 75 0.119 -3.403 -12.338 1.00 0.00 C ATOM 1099 O GLU A 75 -0.981 -3.352 -12.886 1.00 0.00 O ATOM 1100 CB GLU A 75 1.670 -4.705 -13.841 1.00 0.00 C ATOM 1101 CG GLU A 75 1.124 -4.722 -15.270 1.00 0.00 C ATOM 1102 CD GLU A 75 1.324 -6.094 -15.917 1.00 0.00 C ATOM 1103 OE1 GLU A 75 0.625 -7.034 -15.483 1.00 0.00 O ATOM 1104 OE2 GLU A 75 2.173 -6.171 -16.832 1.00 0.00 O ATOM 0 H GLU A 75 3.053 -3.732 -11.932 1.00 0.00 H new ATOM 0 HA GLU A 75 1.278 -2.614 -13.955 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.742 -4.903 -13.855 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.206 -5.503 -13.261 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.063 -4.471 -15.261 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.627 -3.959 -15.864 1.00 0.00 H new ATOM 1111 N GLU A 76 0.302 -3.499 -11.029 1.00 0.00 N ATOM 1112 CA GLU A 76 -0.828 -3.553 -10.118 1.00 0.00 C ATOM 1113 C GLU A 76 -0.660 -2.520 -9.002 1.00 0.00 C ATOM 1114 O GLU A 76 0.412 -1.936 -8.848 1.00 0.00 O ATOM 1115 CB GLU A 76 -1.001 -4.960 -9.541 1.00 0.00 C ATOM 1116 CG GLU A 76 0.028 -5.232 -8.443 1.00 0.00 C ATOM 1117 CD GLU A 76 -0.141 -6.641 -7.870 1.00 0.00 C ATOM 1118 OE1 GLU A 76 0.064 -7.598 -8.647 1.00 0.00 O ATOM 1119 OE2 GLU A 76 -0.473 -6.729 -6.668 1.00 0.00 O ATOM 0 H GLU A 76 1.216 -3.541 -10.578 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.732 -3.312 -10.677 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.007 -5.070 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.894 -5.699 -10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.034 -5.118 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.082 -4.496 -7.646 1.00 0.00 H new ATOM 1126 N GLY A 77 -1.735 -2.326 -8.252 1.00 0.00 N ATOM 1127 CA GLY A 77 -1.719 -1.373 -7.155 1.00 0.00 C ATOM 1128 C GLY A 77 -2.042 -2.061 -5.827 1.00 0.00 C ATOM 1129 O GLY A 77 -2.189 -3.281 -5.775 1.00 0.00 O ATOM 0 H GLY A 77 -2.622 -2.812 -8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.739 -0.899 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.445 -0.582 -7.345 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.142 -1.248 -4.785 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.445 -1.763 -3.460 1.00 0.00 C ATOM 1135 C LEU A 78 -3.951 -1.661 -3.210 1.00 0.00 C ATOM 1136 O LEU A 78 -4.661 -0.978 -3.946 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.596 -1.055 -2.403 1.00 0.00 C ATOM 1138 CG LEU A 78 -0.109 -0.900 -2.731 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.525 0.209 -1.888 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.629 -2.231 -2.575 1.00 0.00 C ATOM 0 H LEU A 78 -2.019 -0.237 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.181 -2.818 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.016 -0.063 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.686 -1.604 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.019 -0.603 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.582 0.299 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.022 1.154 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.424 -0.035 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.683 -2.093 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.533 -2.582 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.197 -2.968 -3.252 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.393 -2.349 -2.167 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.801 -2.344 -1.810 1.00 0.00 C ATOM 1154 C VAL A 79 -5.958 -2.819 -0.365 1.00 0.00 C ATOM 1155 O VAL A 79 -5.696 -3.981 -0.057 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.597 -3.189 -2.807 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -5.702 -4.233 -3.478 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -7.798 -3.852 -2.129 1.00 0.00 C ATOM 0 H VAL A 79 -3.801 -2.913 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.205 -1.333 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.976 -2.523 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.292 -4.820 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.895 -3.731 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.281 -4.893 -2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.346 -4.446 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.450 -4.498 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.455 -3.084 -1.720 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.385 -1.897 0.485 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.580 -2.207 1.891 1.00 0.00 C ATOM 1170 C LEU A 80 -8.077 -2.209 2.206 1.00 0.00 C ATOM 1171 O LEU A 80 -8.829 -1.395 1.671 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.769 -1.251 2.768 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.256 -1.483 2.791 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -3.930 -2.977 2.769 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.569 -0.729 1.651 1.00 0.00 C ATOM 0 H LEU A 80 -6.602 -0.934 0.227 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.205 -3.205 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.955 -0.232 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.143 -1.321 3.789 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.863 -1.082 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.849 -3.114 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.370 -3.458 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.338 -3.425 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.495 -0.911 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.962 -1.078 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.760 0.339 1.754 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.477 -3.157 3.096 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.871 -3.275 3.488 1.00 0.00 C ATOM 1189 C PRO A 81 -10.266 -2.155 4.451 1.00 0.00 C ATOM 1190 O PRO A 81 -9.640 -1.979 5.496 1.00 0.00 O ATOM 1191 CB PRO A 81 -9.989 -4.659 4.105 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.572 -5.081 4.458 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.615 -4.137 3.749 1.00 0.00 C ATOM 0 HA PRO A 81 -10.556 -3.169 2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.623 -4.638 4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.443 -5.361 3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.419 -5.041 5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.392 -6.111 4.149 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.935 -3.659 4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.999 -4.669 3.023 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.303 -1.425 4.067 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.790 -0.326 4.883 1.00 0.00 C ATOM 1203 C LEU A 82 -13.288 -0.138 4.638 1.00 0.00 C ATOM 1204 O LEU A 82 -13.745 -0.190 3.497 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.962 0.936 4.632 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.506 2.228 5.245 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -12.545 2.875 4.327 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -12.058 1.978 6.650 1.00 0.00 C ATOM 0 H LEU A 82 -11.820 -1.574 3.200 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.667 -0.555 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.956 0.769 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.871 1.078 3.555 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.681 2.933 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.916 3.791 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.086 3.110 3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -13.375 2.185 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.438 2.912 7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -12.866 1.248 6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.263 1.595 7.290 1.00 0.00 H new ATOM 1220 N ALA A 83 -14.011 0.076 5.727 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.449 0.272 5.644 1.00 0.00 C ATOM 1222 C ALA A 83 -15.744 1.755 5.408 1.00 0.00 C ATOM 1223 O ALA A 83 -15.017 2.621 5.892 1.00 0.00 O ATOM 1224 CB ALA A 83 -16.111 -0.259 6.916 1.00 0.00 C ATOM 0 H ALA A 83 -13.629 0.118 6.672 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.865 -0.285 4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.189 -0.112 6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.895 -1.322 7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.721 0.278 7.781 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.813 2.002 4.665 1.00 0.00 N ATOM 1231 CA GLU A 84 -17.213 3.365 4.360 1.00 0.00 C ATOM 1232 C GLU A 84 -17.599 4.105 5.642 1.00 0.00 C ATOM 1233 O GLU A 84 -17.666 5.333 5.659 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.361 3.385 3.349 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.461 4.748 2.660 1.00 0.00 C ATOM 1236 CD GLU A 84 -19.921 5.124 2.397 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.733 4.184 2.261 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.191 6.343 2.338 1.00 0.00 O ATOM 0 H GLU A 84 -17.414 1.281 4.265 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.365 3.880 3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -18.206 2.606 2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.300 3.159 3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.992 5.510 3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.913 4.725 1.718 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.843 3.326 6.686 1.00 0.00 N ATOM 1246 CA GLU A 85 -18.221 3.892 7.970 1.00 0.00 C ATOM 1247 C GLU A 85 -16.973 4.218 8.794 1.00 0.00 C ATOM 1248 O GLU A 85 -17.075 4.750 9.898 1.00 0.00 O ATOM 1249 CB GLU A 85 -19.150 2.947 8.734 1.00 0.00 C ATOM 1250 CG GLU A 85 -18.450 1.623 9.046 1.00 0.00 C ATOM 1251 CD GLU A 85 -19.073 0.949 10.271 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -19.496 1.699 11.177 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -19.111 -0.300 10.273 1.00 0.00 O ATOM 0 H GLU A 85 -17.786 2.308 6.669 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.767 4.818 7.790 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.472 3.420 9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -20.047 2.758 8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -18.521 0.958 8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.390 1.801 9.224 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.824 3.886 8.225 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.558 4.137 8.892 1.00 0.00 C ATOM 1262 C GLU A 86 -13.662 5.016 8.018 1.00 0.00 C ATOM 1263 O GLU A 86 -12.570 5.403 8.433 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.857 2.825 9.250 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.742 1.957 10.146 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.994 1.534 11.412 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -12.927 0.901 11.256 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -14.506 1.853 12.507 1.00 0.00 O ATOM 0 H GLU A 86 -15.743 3.445 7.309 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.759 4.669 9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.610 2.280 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.917 3.038 9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.642 2.509 10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.064 1.072 9.597 1.00 0.00 H new ATOM 1275 N LEU A 87 -14.156 5.307 6.824 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.414 6.134 5.887 1.00 0.00 C ATOM 1277 C LEU A 87 -12.798 7.318 6.636 1.00 0.00 C ATOM 1278 O LEU A 87 -11.603 7.580 6.514 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.305 6.546 4.713 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.333 5.584 3.523 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.484 5.920 2.574 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.983 5.564 2.803 1.00 0.00 C ATOM 0 H LEU A 87 -15.062 4.985 6.483 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.591 5.569 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.324 6.667 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.976 7.523 4.358 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.511 4.577 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.481 5.222 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.431 5.842 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.362 6.936 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.030 4.873 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.750 6.564 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.206 5.241 3.496 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.665 8.019 7.415 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.219 9.169 8.183 1.00 0.00 C ATOM 1296 C PRO A 88 -12.417 8.730 9.410 1.00 0.00 C ATOM 1297 O PRO A 88 -11.637 9.508 9.957 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.491 9.920 8.542 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.626 8.926 8.364 1.00 0.00 C ATOM 1300 CD PRO A 88 -15.088 7.738 7.584 1.00 0.00 C ATOM 0 HA PRO A 88 -12.538 9.811 7.623 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.451 10.288 9.567 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.627 10.788 7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -16.008 8.605 9.333 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.457 9.387 7.831 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.246 6.805 8.125 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.589 7.637 6.621 1.00 0.00 H new ATOM 1308 N THR A 89 -12.638 7.486 9.808 1.00 0.00 N ATOM 1309 CA THR A 89 -11.946 6.934 10.960 1.00 0.00 C ATOM 1310 C THR A 89 -10.833 5.986 10.510 1.00 0.00 C ATOM 1311 O THR A 89 -10.505 5.031 11.212 1.00 0.00 O ATOM 1312 CB THR A 89 -12.986 6.266 11.861 1.00 0.00 C ATOM 1313 OG1 THR A 89 -13.164 4.974 11.287 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.366 6.918 11.746 1.00 0.00 C ATOM 0 H THR A 89 -13.287 6.844 9.353 1.00 0.00 H new ATOM 0 HA THR A 89 -11.451 7.716 11.536 1.00 0.00 H new ATOM 0 HB THR A 89 -12.650 6.309 12.897 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.355 4.440 11.427 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.066 6.406 12.406 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.298 7.967 12.033 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.718 6.846 10.717 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.282 6.283 9.342 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.213 5.469 8.791 1.00 0.00 C ATOM 1324 C ALA A 90 -8.286 6.352 7.953 1.00 0.00 C ATOM 1325 O ALA A 90 -8.712 7.375 7.419 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.813 4.319 7.979 1.00 0.00 C ATOM 0 H ALA A 90 -10.556 7.076 8.762 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.616 5.028 9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.011 3.708 7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.440 3.705 8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.417 4.723 7.166 1.00 0.00 H new ATOM 1332 N THR A 91 -7.035 5.924 7.863 1.00 0.00 N ATOM 1333 CA THR A 91 -6.044 6.663 7.099 1.00 0.00 C ATOM 1334 C THR A 91 -5.148 5.701 6.317 1.00 0.00 C ATOM 1335 O THR A 91 -5.096 4.510 6.620 1.00 0.00 O ATOM 1336 CB THR A 91 -5.272 7.560 8.069 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.240 8.506 8.513 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.215 8.412 7.363 1.00 0.00 C ATOM 0 H THR A 91 -6.685 5.075 8.307 1.00 0.00 H new ATOM 0 HA THR A 91 -6.516 7.300 6.350 1.00 0.00 H new ATOM 0 HB THR A 91 -4.793 6.944 8.830 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.824 9.126 9.148 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.696 9.030 8.096 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.497 7.761 6.864 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.698 9.053 6.625 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.465 6.254 5.325 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.574 5.460 4.496 1.00 0.00 C ATOM 1348 C LEU A 92 -2.188 6.107 4.480 1.00 0.00 C ATOM 1349 O LEU A 92 -2.050 7.278 4.131 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.175 5.258 3.103 1.00 0.00 C ATOM 1351 CG LEU A 92 -3.281 4.550 2.084 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -2.276 5.523 1.466 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -2.593 3.334 2.708 1.00 0.00 C ATOM 0 H LEU A 92 -4.511 7.242 5.077 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.455 4.460 4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.098 4.687 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.448 6.234 2.701 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.912 4.182 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.653 4.994 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.811 6.327 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.646 5.943 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.964 2.849 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.978 3.656 3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.347 2.630 3.059 1.00 0.00 H new ATOM 1365 N THR A 93 -1.196 5.316 4.863 1.00 0.00 N ATOM 1366 CA THR A 93 0.174 5.797 4.897 1.00 0.00 C ATOM 1367 C THR A 93 1.077 4.896 4.052 1.00 0.00 C ATOM 1368 O THR A 93 1.394 3.777 4.453 1.00 0.00 O ATOM 1369 CB THR A 93 0.607 5.889 6.361 1.00 0.00 C ATOM 1370 OG1 THR A 93 -0.131 6.996 6.872 1.00 0.00 O ATOM 1371 CG2 THR A 93 2.069 6.313 6.515 1.00 0.00 C ATOM 0 H THR A 93 -1.314 4.345 5.152 1.00 0.00 H new ATOM 0 HA THR A 93 0.255 6.791 4.456 1.00 0.00 H new ATOM 0 HB THR A 93 0.457 4.924 6.845 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.300 7.328 7.687 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.324 6.363 7.574 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.713 5.586 6.020 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.213 7.293 6.061 1.00 0.00 H new ATOM 1379 N LEU A 94 1.466 5.417 2.898 1.00 0.00 N ATOM 1380 CA LEU A 94 2.326 4.674 1.993 1.00 0.00 C ATOM 1381 C LEU A 94 3.761 4.698 2.525 1.00 0.00 C ATOM 1382 O LEU A 94 4.240 5.734 2.982 1.00 0.00 O ATOM 1383 CB LEU A 94 2.191 5.207 0.565 1.00 0.00 C ATOM 1384 CG LEU A 94 0.764 5.328 0.027 1.00 0.00 C ATOM 1385 CD1 LEU A 94 0.701 6.310 -1.144 1.00 0.00 C ATOM 1386 CD2 LEU A 94 0.199 3.956 -0.344 1.00 0.00 C ATOM 0 H LEU A 94 1.201 6.345 2.569 1.00 0.00 H new ATOM 0 HA LEU A 94 2.019 3.629 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.660 6.190 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.755 4.553 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 94 0.134 5.731 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.324 6.377 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.034 7.294 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.349 5.960 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.816 4.071 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.824 3.501 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.186 3.317 0.539 1.00 0.00 H new ATOM 1398 N THR A 95 4.406 3.543 2.448 1.00 0.00 N ATOM 1399 CA THR A 95 5.776 3.418 2.916 1.00 0.00 C ATOM 1400 C THR A 95 6.630 2.689 1.877 1.00 0.00 C ATOM 1401 O THR A 95 6.292 1.585 1.454 1.00 0.00 O ATOM 1402 CB THR A 95 5.749 2.721 4.277 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.361 2.550 4.552 1.00 0.00 O ATOM 1404 CG2 THR A 95 6.244 3.626 5.408 1.00 0.00 C ATOM 0 H THR A 95 4.005 2.685 2.068 1.00 0.00 H new ATOM 0 HA THR A 95 6.241 4.396 3.045 1.00 0.00 H new ATOM 0 HB THR A 95 6.363 1.821 4.236 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.163 1.596 4.657 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.205 3.083 6.352 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.271 3.931 5.207 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.609 4.510 5.471 1.00 0.00 H new ATOM 1412 N LEU A 96 7.721 3.337 1.495 1.00 0.00 N ATOM 1413 CA LEU A 96 8.626 2.764 0.513 1.00 0.00 C ATOM 1414 C LEU A 96 9.831 2.154 1.232 1.00 0.00 C ATOM 1415 O LEU A 96 10.767 2.865 1.596 1.00 0.00 O ATOM 1416 CB LEU A 96 9.003 3.807 -0.542 1.00 0.00 C ATOM 1417 CG LEU A 96 8.631 3.464 -1.986 1.00 0.00 C ATOM 1418 CD1 LEU A 96 8.471 4.732 -2.827 1.00 0.00 C ATOM 1419 CD2 LEU A 96 9.644 2.495 -2.598 1.00 0.00 C ATOM 0 H LEU A 96 7.999 4.253 1.848 1.00 0.00 H new ATOM 0 HA LEU A 96 8.136 1.957 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.525 4.751 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.080 3.971 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 96 7.665 2.958 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.207 4.460 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.683 5.354 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.409 5.287 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.356 2.268 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.634 2.951 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.665 1.574 -2.015 1.00 0.00 H new ATOM 1431 N ARG A 97 9.770 0.843 1.415 1.00 0.00 N ATOM 1432 CA ARG A 97 10.844 0.130 2.084 1.00 0.00 C ATOM 1433 C ARG A 97 11.793 -0.487 1.054 1.00 0.00 C ATOM 1434 O ARG A 97 11.381 -0.815 -0.057 1.00 0.00 O ATOM 1435 CB ARG A 97 10.293 -0.977 2.986 1.00 0.00 C ATOM 1436 CG ARG A 97 9.663 -0.390 4.251 1.00 0.00 C ATOM 1437 CD ARG A 97 8.136 -0.464 4.188 1.00 0.00 C ATOM 1438 NE ARG A 97 7.562 -0.218 5.530 1.00 0.00 N ATOM 1439 CZ ARG A 97 7.471 -1.148 6.490 1.00 0.00 C ATOM 1440 NH1 ARG A 97 7.915 -2.391 6.262 1.00 0.00 N ATOM 1441 NH2 ARG A 97 6.935 -0.835 7.678 1.00 0.00 N ATOM 0 H ARG A 97 8.993 0.256 1.111 1.00 0.00 H new ATOM 0 HA ARG A 97 11.386 0.848 2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.549 -1.559 2.441 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.096 -1.662 3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.021 -0.933 5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.976 0.647 4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.757 0.273 3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.826 -1.444 3.825 1.00 0.00 H new ATOM 0 HE ARG A 97 7.214 0.718 5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.322 -2.629 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.846 -3.099 6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.596 0.111 7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.866 -1.543 8.409 1.00 0.00 H new ATOM 1455 N THR A 98 13.047 -0.625 1.461 1.00 0.00 N ATOM 1456 CA THR A 98 14.058 -1.196 0.588 1.00 0.00 C ATOM 1457 C THR A 98 14.336 -2.651 0.973 1.00 0.00 C ATOM 1458 O THR A 98 14.569 -2.953 2.142 1.00 0.00 O ATOM 1459 CB THR A 98 15.298 -0.303 0.653 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.495 -0.083 2.047 1.00 0.00 O ATOM 1461 CG2 THR A 98 15.043 1.096 0.088 1.00 0.00 C ATOM 0 H THR A 98 13.385 -0.351 2.384 1.00 0.00 H new ATOM 0 HA THR A 98 13.715 -1.226 -0.446 1.00 0.00 H new ATOM 0 HB THR A 98 16.113 -0.774 0.103 1.00 0.00 H new ATOM 0 HG1 THR A 98 15.303 -0.909 2.539 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.955 1.689 0.158 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.741 1.017 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.251 1.580 0.659 1.00 0.00 H new ATOM 1469 N CYS A 99 14.301 -3.513 -0.033 1.00 0.00 N ATOM 1470 CA CYS A 99 14.546 -4.928 0.186 1.00 0.00 C ATOM 1471 C CYS A 99 15.816 -5.071 1.027 1.00 0.00 C ATOM 1472 O CYS A 99 16.925 -4.966 0.506 1.00 0.00 O ATOM 1473 CB CYS A 99 14.646 -5.696 -1.134 1.00 0.00 C ATOM 1474 SG CYS A 99 14.965 -7.467 -0.805 1.00 0.00 S ATOM 0 H CYS A 99 14.107 -3.258 -1.001 1.00 0.00 H new ATOM 0 HA CYS A 99 13.705 -5.366 0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.722 -5.584 -1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.447 -5.281 -1.746 1.00 0.00 H new ATOM 0 HG CYS A 99 15.046 -8.110 -1.932 1.00 0.00 H new ATOM 1480 N ASP A 100 15.612 -5.309 2.314 1.00 0.00 N ATOM 1481 CA ASP A 100 16.727 -5.468 3.233 1.00 0.00 C ATOM 1482 C ASP A 100 16.660 -6.855 3.875 1.00 0.00 C ATOM 1483 O ASP A 100 17.448 -7.737 3.539 1.00 0.00 O ATOM 1484 CB ASP A 100 16.672 -4.426 4.351 1.00 0.00 C ATOM 1485 CG ASP A 100 15.286 -3.833 4.615 1.00 0.00 C ATOM 1486 OD1 ASP A 100 14.302 -4.573 4.402 1.00 0.00 O ATOM 1487 OD2 ASP A 100 15.243 -2.652 5.024 1.00 0.00 O ATOM 0 H ASP A 100 14.691 -5.396 2.743 1.00 0.00 H new ATOM 0 HA ASP A 100 17.650 -5.342 2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.036 -4.883 5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.357 -3.615 4.105 1.00 0.00 H new ATOM 1492 N ARG A 101 15.710 -7.004 4.787 1.00 0.00 N ATOM 1493 CA ARG A 101 15.530 -8.269 5.479 1.00 0.00 C ATOM 1494 C ARG A 101 14.412 -8.151 6.518 1.00 0.00 C ATOM 1495 O ARG A 101 13.661 -9.099 6.737 1.00 0.00 O ATOM 1496 CB ARG A 101 16.820 -8.704 6.177 1.00 0.00 C ATOM 1497 CG ARG A 101 16.623 -10.027 6.919 1.00 0.00 C ATOM 1498 CD ARG A 101 17.777 -10.991 6.637 1.00 0.00 C ATOM 1499 NE ARG A 101 17.894 -11.230 5.181 1.00 0.00 N ATOM 1500 CZ ARG A 101 18.810 -12.033 4.623 1.00 0.00 C ATOM 1501 NH1 ARG A 101 19.694 -12.679 5.394 1.00 0.00 N ATOM 1502 NH2 ARG A 101 18.841 -12.190 3.292 1.00 0.00 N ATOM 0 H ARG A 101 15.057 -6.270 5.062 1.00 0.00 H new ATOM 0 HA ARG A 101 15.262 -9.019 4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.617 -8.811 5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.135 -7.933 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.554 -9.840 7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 101 15.681 -10.483 6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.709 -10.577 7.022 1.00 0.00 H new ATOM 0 HD3 ARG A 101 17.608 -11.934 7.156 1.00 0.00 H new ATOM 0 HE ARG A 101 17.236 -10.754 4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.670 -12.560 6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 101 20.391 -13.290 4.969 1.00 0.00 H new ATOM 0 HH21 ARG A 101 18.167 -11.698 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.538 -12.801 2.867 1.00 0.00 H new ATOM 1516 N PHE A 102 14.338 -6.978 7.129 1.00 0.00 N ATOM 1517 CA PHE A 102 13.325 -6.723 8.139 1.00 0.00 C ATOM 1518 C PHE A 102 12.495 -5.487 7.785 1.00 0.00 C ATOM 1519 O PHE A 102 11.275 -5.489 7.940 1.00 0.00 O ATOM 1520 CB PHE A 102 14.060 -6.468 9.457 1.00 0.00 C ATOM 1521 CG PHE A 102 15.049 -7.571 9.841 1.00 0.00 C ATOM 1522 CD1 PHE A 102 14.596 -8.823 10.118 1.00 0.00 C ATOM 1523 CD2 PHE A 102 16.380 -7.299 9.905 1.00 0.00 C ATOM 1524 CE1 PHE A 102 15.514 -9.847 10.475 1.00 0.00 C ATOM 1525 CE2 PHE A 102 17.297 -8.323 10.262 1.00 0.00 C ATOM 1526 CZ PHE A 102 16.845 -9.575 10.539 1.00 0.00 C ATOM 0 H PHE A 102 14.963 -6.193 6.944 1.00 0.00 H new ATOM 0 HA PHE A 102 12.648 -7.574 8.209 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.597 -5.522 9.385 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.326 -6.358 10.255 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.539 -9.039 10.067 1.00 0.00 H new ATOM 0 HD2 PHE A 102 16.739 -6.305 9.684 1.00 0.00 H new ATOM 0 HE1 PHE A 102 15.155 -10.841 10.696 1.00 0.00 H new ATOM 0 HE2 PHE A 102 18.354 -8.107 10.313 1.00 0.00 H new ATOM 0 HZ PHE A 102 17.543 -10.353 10.810 1.00 0.00 H new ATOM 1536 N SER A 103 13.191 -4.462 7.315 1.00 0.00 N ATOM 1537 CA SER A 103 12.534 -3.222 6.937 1.00 0.00 C ATOM 1538 C SER A 103 11.663 -2.719 8.090 1.00 0.00 C ATOM 1539 O SER A 103 10.546 -2.254 7.872 1.00 0.00 O ATOM 1540 CB SER A 103 11.688 -3.410 5.676 1.00 0.00 C ATOM 1541 OG SER A 103 10.473 -4.103 5.947 1.00 0.00 O ATOM 0 H SER A 103 14.203 -4.465 7.187 1.00 0.00 H new ATOM 0 HA SER A 103 13.302 -2.480 6.720 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.461 -2.436 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 103 12.263 -3.963 4.933 1.00 0.00 H new ATOM 0 HG SER A 103 10.496 -4.459 6.860 1.00 0.00 H new ATOM 1547 N ARG A 104 12.208 -2.829 9.293 1.00 0.00 N ATOM 1548 CA ARG A 104 11.496 -2.390 10.481 1.00 0.00 C ATOM 1549 C ARG A 104 11.947 -0.984 10.882 1.00 0.00 C ATOM 1550 O ARG A 104 13.143 -0.715 10.975 1.00 0.00 O ATOM 1551 CB ARG A 104 11.733 -3.348 11.650 1.00 0.00 C ATOM 1552 CG ARG A 104 11.074 -4.704 11.392 1.00 0.00 C ATOM 1553 CD ARG A 104 10.941 -5.505 12.689 1.00 0.00 C ATOM 1554 NE ARG A 104 9.512 -5.675 13.035 1.00 0.00 N ATOM 1555 CZ ARG A 104 9.073 -6.092 14.230 1.00 0.00 C ATOM 1556 NH1 ARG A 104 9.950 -6.383 15.201 1.00 0.00 N ATOM 1557 NH2 ARG A 104 7.758 -6.217 14.455 1.00 0.00 N ATOM 0 H ARG A 104 13.135 -3.216 9.470 1.00 0.00 H new ATOM 0 HA ARG A 104 10.432 -2.379 10.245 1.00 0.00 H new ATOM 0 HB2 ARG A 104 12.804 -3.483 11.802 1.00 0.00 H new ATOM 0 HB3 ARG A 104 11.333 -2.914 12.567 1.00 0.00 H new ATOM 0 HG2 ARG A 104 10.089 -4.555 10.950 1.00 0.00 H new ATOM 0 HG3 ARG A 104 11.665 -5.268 10.671 1.00 0.00 H new ATOM 0 HD2 ARG A 104 11.414 -6.480 12.574 1.00 0.00 H new ATOM 0 HD3 ARG A 104 11.461 -4.992 13.498 1.00 0.00 H new ATOM 0 HE ARG A 104 8.818 -5.461 12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 104 10.951 -6.287 15.030 1.00 0.00 H new ATOM 0 HH12 ARG A 104 9.616 -6.701 16.111 1.00 0.00 H new ATOM 0 HH21 ARG A 104 7.091 -5.995 13.716 1.00 0.00 H new ATOM 0 HH22 ARG A 104 7.424 -6.535 15.365 1.00 0.00 H new ATOM 1571 N HIS A 105 10.964 -0.124 11.108 1.00 0.00 N ATOM 1572 CA HIS A 105 11.245 1.247 11.496 1.00 0.00 C ATOM 1573 C HIS A 105 12.011 1.952 10.375 1.00 0.00 C ATOM 1574 O HIS A 105 12.915 1.371 9.776 1.00 0.00 O ATOM 1575 CB HIS A 105 11.981 1.292 12.837 1.00 0.00 C ATOM 1576 CG HIS A 105 11.076 1.174 14.039 1.00 0.00 C ATOM 1577 ND1 HIS A 105 11.537 1.288 15.339 1.00 0.00 N ATOM 1578 CD2 HIS A 105 9.732 0.954 14.125 1.00 0.00 C ATOM 1579 CE1 HIS A 105 10.509 1.139 16.162 1.00 0.00 C ATOM 1580 NE2 HIS A 105 9.392 0.931 15.408 1.00 0.00 N ATOM 0 H HIS A 105 9.973 -0.351 11.030 1.00 0.00 H new ATOM 0 HA HIS A 105 10.309 1.786 11.643 1.00 0.00 H new ATOM 0 HB2 HIS A 105 12.713 0.484 12.865 1.00 0.00 H new ATOM 0 HB3 HIS A 105 12.536 2.228 12.904 1.00 0.00 H new ATOM 0 HD2 HIS A 105 9.059 0.821 13.291 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.549 1.176 17.241 1.00 0.00 H new ATOM 0 HE2 HIS A 105 8.450 0.782 15.770 1.00 0.00 H new ATOM 1588 N SER A 106 11.621 3.193 10.125 1.00 0.00 N ATOM 1589 CA SER A 106 12.260 3.983 9.086 1.00 0.00 C ATOM 1590 C SER A 106 12.022 3.340 7.719 1.00 0.00 C ATOM 1591 O SER A 106 12.156 2.127 7.568 1.00 0.00 O ATOM 1592 CB SER A 106 13.760 4.130 9.350 1.00 0.00 C ATOM 1593 OG SER A 106 14.030 5.061 10.395 1.00 0.00 O ATOM 0 H SER A 106 10.871 3.671 10.624 1.00 0.00 H new ATOM 0 HA SER A 106 11.818 4.979 9.093 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.179 3.159 9.613 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.259 4.455 8.437 1.00 0.00 H new ATOM 0 HG SER A 106 14.998 5.125 10.534 1.00 0.00 H new ATOM 1599 N VAL A 107 11.673 4.182 6.757 1.00 0.00 N ATOM 1600 CA VAL A 107 11.415 3.710 5.407 1.00 0.00 C ATOM 1601 C VAL A 107 12.160 4.600 4.410 1.00 0.00 C ATOM 1602 O VAL A 107 12.655 5.666 4.773 1.00 0.00 O ATOM 1603 CB VAL A 107 9.908 3.657 5.151 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.188 2.900 6.269 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.330 5.063 4.980 1.00 0.00 C ATOM 0 H VAL A 107 11.563 5.188 6.886 1.00 0.00 H new ATOM 0 HA VAL A 107 11.789 2.694 5.279 1.00 0.00 H new ATOM 0 HB VAL A 107 9.746 3.114 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.118 2.877 6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.569 1.880 6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.363 3.403 7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.257 4.996 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.510 5.643 5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.811 5.553 4.133 1.00 0.00 H new ATOM 1615 N ALA A 108 12.217 4.129 3.173 1.00 0.00 N ATOM 1616 CA ALA A 108 12.893 4.869 2.121 1.00 0.00 C ATOM 1617 C ALA A 108 12.156 6.187 1.875 1.00 0.00 C ATOM 1618 O ALA A 108 12.724 7.126 1.319 1.00 0.00 O ATOM 1619 CB ALA A 108 12.976 4.004 0.861 1.00 0.00 C ATOM 0 H ALA A 108 11.806 3.244 2.876 1.00 0.00 H new ATOM 0 HA ALA A 108 13.913 5.112 2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.483 4.559 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.534 3.094 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.970 3.743 0.532 1.00 0.00 H new ATOM 1625 N GLY A 109 10.902 6.215 2.301 1.00 0.00 N ATOM 1626 CA GLY A 109 10.081 7.402 2.135 1.00 0.00 C ATOM 1627 C GLY A 109 8.632 7.130 2.546 1.00 0.00 C ATOM 1628 O GLY A 109 8.051 6.120 2.152 1.00 0.00 O ATOM 0 H GLY A 109 10.434 5.434 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.486 8.216 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.113 7.728 1.095 1.00 0.00 H new ATOM 1632 N GLU A 110 8.091 8.049 3.332 1.00 0.00 N ATOM 1633 CA GLU A 110 6.722 7.920 3.801 1.00 0.00 C ATOM 1634 C GLU A 110 5.824 8.943 3.102 1.00 0.00 C ATOM 1635 O GLU A 110 6.190 10.109 2.971 1.00 0.00 O ATOM 1636 CB GLU A 110 6.646 8.073 5.321 1.00 0.00 C ATOM 1637 CG GLU A 110 6.597 6.706 6.008 1.00 0.00 C ATOM 1638 CD GLU A 110 7.381 6.724 7.322 1.00 0.00 C ATOM 1639 OE1 GLU A 110 8.392 7.457 7.369 1.00 0.00 O ATOM 1640 OE2 GLU A 110 6.951 6.004 8.249 1.00 0.00 O ATOM 0 H GLU A 110 8.576 8.886 3.656 1.00 0.00 H new ATOM 0 HA GLU A 110 6.366 6.921 3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.511 8.632 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.761 8.650 5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.561 6.430 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.010 5.946 5.344 1.00 0.00 H new ATOM 1647 N LEU A 111 4.665 8.467 2.671 1.00 0.00 N ATOM 1648 CA LEU A 111 3.711 9.325 1.989 1.00 0.00 C ATOM 1649 C LEU A 111 2.355 9.232 2.690 1.00 0.00 C ATOM 1650 O LEU A 111 1.651 8.232 2.558 1.00 0.00 O ATOM 1651 CB LEU A 111 3.657 8.986 0.498 1.00 0.00 C ATOM 1652 CG LEU A 111 3.248 10.128 -0.435 1.00 0.00 C ATOM 1653 CD1 LEU A 111 2.419 11.175 0.311 1.00 0.00 C ATOM 1654 CD2 LEU A 111 4.471 10.744 -1.117 1.00 0.00 C ATOM 0 H LEU A 111 4.365 7.498 2.781 1.00 0.00 H new ATOM 0 HA LEU A 111 4.028 10.366 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.639 8.627 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.958 8.161 0.358 1.00 0.00 H new ATOM 0 HG LEU A 111 2.615 9.717 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.141 11.975 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.517 10.709 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.007 11.587 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.152 11.553 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.150 11.137 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.984 9.981 -1.703 1.00 0.00 H new ATOM 1666 N ARG A 112 2.028 10.288 3.421 1.00 0.00 N ATOM 1667 CA ARG A 112 0.769 10.338 4.143 1.00 0.00 C ATOM 1668 C ARG A 112 -0.383 10.642 3.183 1.00 0.00 C ATOM 1669 O ARG A 112 -0.216 11.401 2.229 1.00 0.00 O ATOM 1670 CB ARG A 112 0.804 11.405 5.240 1.00 0.00 C ATOM 1671 CG ARG A 112 -0.592 11.643 5.818 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.008 10.493 6.738 1.00 0.00 C ATOM 1673 NE ARG A 112 -1.806 11.014 7.870 1.00 0.00 N ATOM 1674 CZ ARG A 112 -1.997 10.356 9.021 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -1.447 9.147 9.200 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -2.737 10.906 9.993 1.00 0.00 N ATOM 0 H ARG A 112 2.614 11.116 3.528 1.00 0.00 H new ATOM 0 HA ARG A 112 0.614 9.363 4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.482 11.093 6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.197 12.337 4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.604 12.581 6.374 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.313 11.744 5.007 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.590 9.761 6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.123 9.978 7.113 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.238 11.932 7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.883 8.729 8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.592 8.645 10.076 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.155 11.826 9.857 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.882 10.404 10.869 1.00 0.00 H new ATOM 1690 N LEU A 113 -1.525 10.034 3.467 1.00 0.00 N ATOM 1691 CA LEU A 113 -2.703 10.230 2.640 1.00 0.00 C ATOM 1692 C LEU A 113 -3.951 10.207 3.525 1.00 0.00 C ATOM 1693 O LEU A 113 -3.866 9.915 4.717 1.00 0.00 O ATOM 1694 CB LEU A 113 -2.737 9.207 1.503 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.522 9.197 0.573 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.603 8.039 -0.423 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.358 10.547 -0.129 1.00 0.00 C ATOM 0 H LEU A 113 -1.660 9.405 4.259 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.671 11.207 2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.845 8.213 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.628 9.390 0.902 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.630 9.038 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.727 8.055 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.635 7.094 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.504 8.141 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.487 10.513 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.249 10.760 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.221 11.330 0.616 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.081 10.520 2.907 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.345 10.539 3.624 1.00 0.00 C ATOM 1711 C GLY A 114 -7.456 9.895 2.792 1.00 0.00 C ATOM 1712 O GLY A 114 -7.528 10.098 1.581 1.00 0.00 O ATOM 0 H GLY A 114 -5.147 10.762 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.239 10.007 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.615 11.567 3.865 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.296 9.131 3.476 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.400 8.456 2.816 1.00 0.00 C ATOM 1718 C LEU A 115 -10.668 9.300 2.960 1.00 0.00 C ATOM 1719 O LEU A 115 -11.502 9.333 2.057 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.549 7.028 3.345 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.247 6.301 3.689 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -8.519 4.851 4.093 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -7.245 6.396 2.536 1.00 0.00 C ATOM 0 H LEU A 115 -8.234 8.965 4.480 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.202 8.357 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.173 7.056 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.085 6.440 2.600 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.796 6.796 4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.577 4.357 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.170 4.833 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.003 4.328 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.329 5.871 2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.674 5.941 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.018 7.443 2.336 1.00 0.00 H new ATOM 1735 N ASP A 116 -10.772 9.963 4.103 1.00 0.00 N ATOM 1736 CA ASP A 116 -11.924 10.805 4.377 1.00 0.00 C ATOM 1737 C ASP A 116 -12.274 11.607 3.122 1.00 0.00 C ATOM 1738 O ASP A 116 -13.431 11.970 2.916 1.00 0.00 O ATOM 1739 CB ASP A 116 -11.626 11.796 5.504 1.00 0.00 C ATOM 1740 CG ASP A 116 -10.270 12.496 5.407 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -9.321 11.833 4.935 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -10.212 13.679 5.807 1.00 0.00 O ATOM 0 H ASP A 116 -10.078 9.934 4.849 1.00 0.00 H new ATOM 0 HA ASP A 116 -12.751 10.160 4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.409 12.554 5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.678 11.267 6.456 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.253 11.860 2.316 1.00 0.00 N ATOM 1748 CA GLY A 117 -11.438 12.612 1.087 1.00 0.00 C ATOM 1749 C GLY A 117 -10.977 14.061 1.256 1.00 0.00 C ATOM 1750 O GLY A 117 -11.549 14.972 0.661 1.00 0.00 O ATOM 0 H GLY A 117 -10.295 11.557 2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.878 12.140 0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.489 12.592 0.799 1.00 0.00 H new ATOM 1754 N THR A 118 -9.946 14.229 2.071 1.00 0.00 N ATOM 1755 CA THR A 118 -9.401 15.551 2.327 1.00 0.00 C ATOM 1756 C THR A 118 -8.012 15.686 1.699 1.00 0.00 C ATOM 1757 O THR A 118 -7.873 16.219 0.599 1.00 0.00 O ATOM 1758 CB THR A 118 -9.409 15.782 3.839 1.00 0.00 C ATOM 1759 OG1 THR A 118 -10.754 16.157 4.125 1.00 0.00 O ATOM 1760 CG2 THR A 118 -8.586 17.005 4.249 1.00 0.00 C ATOM 0 H THR A 118 -9.473 13.471 2.563 1.00 0.00 H new ATOM 0 HA THR A 118 -10.010 16.326 1.862 1.00 0.00 H new ATOM 0 HB THR A 118 -9.020 14.897 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.133 15.539 4.784 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.625 17.124 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.551 16.869 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.995 17.895 3.772 1.00 0.00 H new ATOM 1768 N SER A 119 -7.019 15.193 2.425 1.00 0.00 N ATOM 1769 CA SER A 119 -5.646 15.252 1.954 1.00 0.00 C ATOM 1770 C SER A 119 -5.597 14.978 0.449 1.00 0.00 C ATOM 1771 O SER A 119 -5.163 15.828 -0.326 1.00 0.00 O ATOM 1772 CB SER A 119 -4.763 14.253 2.704 1.00 0.00 C ATOM 1773 OG SER A 119 -4.496 14.673 4.039 1.00 0.00 O ATOM 0 H SER A 119 -7.138 14.751 3.336 1.00 0.00 H new ATOM 0 HA SER A 119 -5.261 16.253 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.252 13.279 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.822 14.128 2.168 1.00 0.00 H new ATOM 0 HG SER A 119 -3.931 14.008 4.484 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.050 13.788 0.082 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.063 13.391 -1.316 1.00 0.00 C ATOM 1781 C VAL A 120 -7.444 12.837 -1.671 1.00 0.00 C ATOM 1782 O VAL A 120 -8.011 12.045 -0.920 1.00 0.00 O ATOM 1783 CB VAL A 120 -4.932 12.398 -1.589 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -4.766 11.422 -0.423 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -5.165 11.649 -2.903 1.00 0.00 C ATOM 0 H VAL A 120 -6.411 13.086 0.728 1.00 0.00 H new ATOM 0 HA VAL A 120 -5.883 14.252 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 120 -4.005 12.964 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.956 10.727 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.532 11.977 0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -5.692 10.866 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.347 10.950 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -6.105 11.101 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -5.209 12.363 -3.726 1.00 0.00 H new ATOM 1795 N PRO A 121 -7.959 13.286 -2.847 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.263 12.844 -3.311 1.00 0.00 C ATOM 1797 C PRO A 121 -9.197 11.412 -3.847 1.00 0.00 C ATOM 1798 O PRO A 121 -8.114 10.848 -3.989 1.00 0.00 O ATOM 1799 CB PRO A 121 -9.668 13.856 -4.369 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.386 14.556 -4.789 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.316 14.224 -3.763 1.00 0.00 C ATOM 0 HA PRO A 121 -10.003 12.806 -2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.141 13.364 -5.219 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.390 14.569 -3.971 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.079 14.226 -5.781 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.540 15.634 -4.845 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.440 13.779 -4.235 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -6.977 15.119 -3.240 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.371 10.866 -4.130 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.461 9.511 -4.647 1.00 0.00 C ATOM 1811 C LEU A 122 -10.615 9.560 -6.169 1.00 0.00 C ATOM 1812 O LEU A 122 -11.102 10.549 -6.715 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.577 8.741 -3.940 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.318 8.375 -2.477 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -12.598 7.884 -1.799 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.181 7.357 -2.360 1.00 0.00 C ATOM 0 H LEU A 122 -11.268 11.338 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.544 8.961 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.489 9.336 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -11.766 7.822 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.001 9.275 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.385 7.631 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.353 8.670 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -12.969 7.001 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.017 7.114 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.446 6.451 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.269 7.780 -2.781 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.191 8.480 -6.809 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.276 8.388 -8.257 1.00 0.00 C ATOM 1830 C GLY A 123 -9.520 9.537 -8.925 1.00 0.00 C ATOM 1831 O GLY A 123 -9.725 9.817 -10.105 1.00 0.00 O ATOM 0 H GLY A 123 -9.788 7.662 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.864 7.435 -8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.321 8.408 -8.565 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.659 10.171 -8.142 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.871 11.284 -8.644 1.00 0.00 C ATOM 1837 C ALA A 124 -6.391 11.028 -8.349 1.00 0.00 C ATOM 1838 O ALA A 124 -5.934 11.231 -7.225 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.373 12.588 -8.020 1.00 0.00 C ATOM 0 H ALA A 124 -8.490 9.935 -7.164 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.981 11.377 -9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.782 13.423 -8.397 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.420 12.737 -8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.275 12.534 -6.936 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.684 10.587 -9.379 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.265 10.302 -9.245 1.00 0.00 C ATOM 1847 C ALA A 125 -3.510 11.606 -8.983 1.00 0.00 C ATOM 1848 O ALA A 125 -3.757 12.614 -9.643 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.768 9.582 -10.500 1.00 0.00 C ATOM 0 H ALA A 125 -6.067 10.420 -10.310 1.00 0.00 H new ATOM 0 HA ALA A 125 -4.085 9.641 -8.397 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.704 9.368 -10.400 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.316 8.648 -10.624 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -3.930 10.216 -11.372 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.604 11.544 -8.018 1.00 0.00 N ATOM 1856 CA GLN A 126 -1.811 12.708 -7.661 1.00 0.00 C ATOM 1857 C GLN A 126 -0.321 12.359 -7.672 1.00 0.00 C ATOM 1858 O GLN A 126 0.049 11.211 -7.911 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.233 13.263 -6.299 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.758 13.318 -6.178 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.305 14.633 -6.736 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -3.582 15.460 -7.269 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.618 14.780 -6.585 1.00 0.00 N ATOM 0 H GLN A 126 -2.402 10.706 -7.473 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.988 13.485 -8.404 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.824 12.638 -5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.818 14.262 -6.165 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -4.200 12.479 -6.716 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -4.047 13.214 -5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -6.164 14.049 -6.130 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -6.079 15.624 -6.925 1.00 0.00 H new ATOM 1872 N TRP A 127 0.493 13.371 -7.411 1.00 0.00 N ATOM 1873 CA TRP A 127 1.934 13.185 -7.388 1.00 0.00 C ATOM 1874 C TRP A 127 2.455 13.692 -6.042 1.00 0.00 C ATOM 1875 O TRP A 127 2.946 14.816 -5.945 1.00 0.00 O ATOM 1876 CB TRP A 127 2.595 13.876 -8.583 1.00 0.00 C ATOM 1877 CG TRP A 127 2.708 12.993 -9.827 1.00 0.00 C ATOM 1878 CD1 TRP A 127 1.970 13.043 -10.945 1.00 0.00 C ATOM 1879 CD2 TRP A 127 3.649 11.919 -10.037 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.364 12.084 -11.855 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.418 11.379 -11.286 1.00 0.00 C ATOM 1882 CE3 TRP A 127 4.662 11.420 -9.199 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.158 10.312 -11.809 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.393 10.354 -9.736 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.173 9.799 -10.991 1.00 0.00 C ATOM 0 H TRP A 127 0.182 14.322 -7.214 1.00 0.00 H new ATOM 0 HA TRP A 127 2.188 12.129 -7.484 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.024 14.770 -8.835 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.592 14.207 -8.293 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.167 13.746 -11.112 1.00 0.00 H new ATOM 0 HE1 TRP A 127 1.957 11.922 -12.776 1.00 0.00 H new ATOM 0 HE3 TRP A 127 4.860 11.827 -8.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 3.957 9.906 -12.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.184 9.933 -9.133 1.00 0.00 H new ATOM 0 HH2 TRP A 127 5.782 8.976 -11.334 1.00 0.00 H new ATOM 1896 N GLY A 128 2.330 12.839 -5.036 1.00 0.00 N ATOM 1897 CA GLY A 128 2.782 13.187 -3.699 1.00 0.00 C ATOM 1898 C GLY A 128 4.301 13.050 -3.581 1.00 0.00 C ATOM 1899 O GLY A 128 4.946 12.473 -4.455 1.00 0.00 O ATOM 0 H GLY A 128 1.922 11.908 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.486 14.210 -3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.297 12.541 -2.968 1.00 0.00 H new ATOM 1903 N GLU A 129 4.829 13.592 -2.494 1.00 0.00 N ATOM 1904 CA GLU A 129 6.261 13.538 -2.250 1.00 0.00 C ATOM 1905 C GLU A 129 6.549 12.806 -0.938 1.00 0.00 C ATOM 1906 O GLU A 129 5.892 13.053 0.072 1.00 0.00 O ATOM 1907 CB GLU A 129 6.868 14.942 -2.240 1.00 0.00 C ATOM 1908 CG GLU A 129 8.277 14.925 -1.643 1.00 0.00 C ATOM 1909 CD GLU A 129 8.840 16.343 -1.526 1.00 0.00 C ATOM 1910 OE1 GLU A 129 8.560 17.143 -2.445 1.00 0.00 O ATOM 1911 OE2 GLU A 129 9.538 16.596 -0.520 1.00 0.00 O ATOM 0 H GLU A 129 4.291 14.071 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 129 6.728 12.982 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.904 15.334 -3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.232 15.613 -1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.253 14.457 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.933 14.320 -2.268 1.00 0.00 H new ATOM 1918 N LEU A 130 7.532 11.919 -0.996 1.00 0.00 N ATOM 1919 CA LEU A 130 7.915 11.149 0.176 1.00 0.00 C ATOM 1920 C LEU A 130 8.532 12.086 1.216 1.00 0.00 C ATOM 1921 O LEU A 130 9.418 12.877 0.896 1.00 0.00 O ATOM 1922 CB LEU A 130 8.825 9.986 -0.222 1.00 0.00 C ATOM 1923 CG LEU A 130 8.234 8.980 -1.213 1.00 0.00 C ATOM 1924 CD1 LEU A 130 9.318 8.052 -1.764 1.00 0.00 C ATOM 1925 CD2 LEU A 130 7.079 8.201 -0.581 1.00 0.00 C ATOM 0 H LEU A 130 8.075 11.716 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 130 7.039 10.694 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.738 10.396 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 130 9.112 9.449 0.682 1.00 0.00 H new ATOM 0 HG LEU A 130 7.824 9.533 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.872 7.347 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 130 10.077 8.643 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.779 7.503 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.677 7.493 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.441 7.659 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.295 8.895 -0.278 1.00 0.00 H new ATOM 1937 N LYS A 131 8.041 11.964 2.441 1.00 0.00 N ATOM 1938 CA LYS A 131 8.534 12.790 3.530 1.00 0.00 C ATOM 1939 C LYS A 131 9.944 12.336 3.910 1.00 0.00 C ATOM 1940 O LYS A 131 10.745 13.131 4.400 1.00 0.00 O ATOM 1941 CB LYS A 131 7.548 12.778 4.700 1.00 0.00 C ATOM 1942 CG LYS A 131 6.184 13.324 4.273 1.00 0.00 C ATOM 1943 CD LYS A 131 6.279 14.804 3.897 1.00 0.00 C ATOM 1944 CE LYS A 131 5.735 15.047 2.487 1.00 0.00 C ATOM 1945 NZ LYS A 131 5.665 16.498 2.202 1.00 0.00 N ATOM 0 H LYS A 131 7.307 11.306 2.703 1.00 0.00 H new ATOM 0 HA LYS A 131 8.608 13.831 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.435 11.761 5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.943 13.378 5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.809 12.753 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 131 5.467 13.196 5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 131 5.718 15.402 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.317 15.131 3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 131 6.376 14.557 1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 131 4.744 14.603 2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 5.294 16.646 1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.035 16.957 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 6.616 16.912 2.273 1.00 0.00 H new ATOM 1959 N THR A 132 10.206 11.060 3.670 1.00 0.00 N ATOM 1960 CA THR A 132 11.506 10.491 3.981 1.00 0.00 C ATOM 1961 C THR A 132 12.042 11.070 5.292 1.00 0.00 C ATOM 1962 O THR A 132 11.273 11.359 6.207 1.00 0.00 O ATOM 1963 CB THR A 132 12.429 10.739 2.785 1.00 0.00 C ATOM 1964 OG1 THR A 132 12.879 12.078 2.966 1.00 0.00 O ATOM 1965 CG2 THR A 132 11.670 10.777 1.458 1.00 0.00 C ATOM 0 H THR A 132 9.540 10.404 3.263 1.00 0.00 H new ATOM 0 HA THR A 132 11.439 9.415 4.141 1.00 0.00 H new ATOM 0 HB THR A 132 13.190 9.959 2.746 1.00 0.00 H new ATOM 0 HG1 THR A 132 12.193 12.592 3.442 1.00 0.00 H new ATOM 0 HG21 THR A 132 12.371 10.956 0.643 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.165 9.824 1.300 1.00 0.00 H new ATOM 0 HG23 THR A 132 10.932 11.579 1.484 1.00 0.00 H new ATOM 1973 N SER A 133 13.357 11.221 5.341 1.00 0.00 N ATOM 1974 CA SER A 133 14.005 11.761 6.525 1.00 0.00 C ATOM 1975 C SER A 133 15.481 12.038 6.233 1.00 0.00 C ATOM 1976 O SER A 133 15.952 11.805 5.121 1.00 0.00 O ATOM 1977 CB SER A 133 13.868 10.804 7.711 1.00 0.00 C ATOM 1978 OG SER A 133 12.733 11.110 8.516 1.00 0.00 O ATOM 0 H SER A 133 13.992 10.979 4.580 1.00 0.00 H new ATOM 0 HA SER A 133 13.512 12.697 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 133 13.787 9.781 7.344 1.00 0.00 H new ATOM 0 HB3 SER A 133 14.769 10.853 8.322 1.00 0.00 H new ATOM 0 HG SER A 133 11.957 11.272 7.940 1.00 0.00 H new ATOM 1984 N GLY A 134 16.170 12.531 7.252 1.00 0.00 N ATOM 1985 CA GLY A 134 17.583 12.842 7.119 1.00 0.00 C ATOM 1986 C GLY A 134 18.313 11.752 6.332 1.00 0.00 C ATOM 1987 O GLY A 134 17.913 10.589 6.358 1.00 0.00 O ATOM 0 H GLY A 134 15.776 12.723 8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 134 17.702 13.801 6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 134 18.031 12.944 8.107 1.00 0.00 H new ATOM 1991 N PRO A 135 19.399 12.178 5.633 1.00 0.00 N ATOM 1992 CA PRO A 135 20.188 11.251 4.840 1.00 0.00 C ATOM 1993 C PRO A 135 21.065 10.373 5.734 1.00 0.00 C ATOM 1994 O PRO A 135 20.958 10.425 6.958 1.00 0.00 O ATOM 1995 CB PRO A 135 20.994 12.129 3.895 1.00 0.00 C ATOM 1996 CG PRO A 135 20.977 13.521 4.504 1.00 0.00 C ATOM 1997 CD PRO A 135 19.902 13.547 5.579 1.00 0.00 C ATOM 0 HA PRO A 135 19.572 10.546 4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 135 22.014 11.760 3.793 1.00 0.00 H new ATOM 0 HB3 PRO A 135 20.556 12.134 2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 135 21.950 13.762 4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 135 20.770 14.270 3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 135 20.311 13.857 6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 135 19.108 14.251 5.328 1.00 0.00 H new ATOM 2005 N SER A 136 21.913 9.586 5.088 1.00 0.00 N ATOM 2006 CA SER A 136 22.809 8.698 5.810 1.00 0.00 C ATOM 2007 C SER A 136 21.998 7.703 6.643 1.00 0.00 C ATOM 2008 O SER A 136 21.748 7.936 7.825 1.00 0.00 O ATOM 2009 CB SER A 136 23.763 9.488 6.707 1.00 0.00 C ATOM 2010 OG SER A 136 25.120 9.092 6.523 1.00 0.00 O ATOM 0 H SER A 136 21.999 9.545 4.072 1.00 0.00 H new ATOM 0 HA SER A 136 23.408 8.151 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 136 23.664 10.552 6.493 1.00 0.00 H new ATOM 0 HB3 SER A 136 23.482 9.345 7.750 1.00 0.00 H new ATOM 0 HG SER A 136 25.698 9.621 7.112 1.00 0.00 H new ATOM 2016 N SER A 137 21.611 6.614 5.995 1.00 0.00 N ATOM 2017 CA SER A 137 20.835 5.582 6.661 1.00 0.00 C ATOM 2018 C SER A 137 20.755 4.335 5.778 1.00 0.00 C ATOM 2019 O SER A 137 19.739 4.096 5.126 1.00 0.00 O ATOM 2020 CB SER A 137 19.429 6.084 7.000 1.00 0.00 C ATOM 2021 OG SER A 137 18.841 5.343 8.066 1.00 0.00 O ATOM 0 H SER A 137 21.821 6.424 5.015 1.00 0.00 H new ATOM 0 HA SER A 137 21.336 5.326 7.595 1.00 0.00 H new ATOM 0 HB2 SER A 137 19.476 7.138 7.274 1.00 0.00 H new ATOM 0 HB3 SER A 137 18.795 6.013 6.116 1.00 0.00 H new ATOM 0 HG SER A 137 17.946 5.694 8.254 1.00 0.00 H new ATOM 2027 N GLY A 138 21.839 3.574 5.785 1.00 0.00 N ATOM 2028 CA GLY A 138 21.904 2.357 4.993 1.00 0.00 C ATOM 2029 C GLY A 138 22.786 1.307 5.673 1.00 0.00 C ATOM 2030 O GLY A 138 23.753 0.828 5.084 1.00 0.00 O ATOM 0 H GLY A 138 22.680 3.776 6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 138 20.900 1.957 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 138 22.300 2.584 4.003 1.00 0.00 H new TER 2034 GLY A 138