USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=41 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 Single : A 1 GLY N :NH3+ 134:sc= 0.0687 (180deg=0) USER MOD Single : A 2 SER OG : rot 60:sc= 0.419 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 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc=-0.00913 X(o=-0.0091,f=-0.033) USER MOD Single : A 11 GLN : amide:sc= -0.221 K(o=-0.22,f=-2.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HE2:sc= -1.75 F(o=-5.1!,f=-1.8) USER MOD Single : A 17 TYR OH : rot 120:sc= -1.15 USER MOD Single : A 18 CYS SG : rot 54:sc= -0.012 USER MOD Single : A 21 TYR OH : rot -48:sc= -0.544 USER MOD Single : A 23 CYS SG : rot 180:sc= -0.648 USER MOD Single : A 24 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.78) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0491 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.024) USER MOD Single : A 40 HIS : no HD1:sc= -1.55! C(o=-1.5!,f=-2.8!) USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 160:sc= -0.81 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.451 USER MOD Single : A 49 GLN : amide:sc= -4.24! C(o=-4.2!,f=-9!) USER MOD Single : A 51 SER OG : rot -6:sc= -1.31! USER MOD Single : A 54 ASN : amide:sc= 0.137 K(o=0.14,f=-6.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= 0.851 F(o=-0.55,f=0.85) USER MOD Single : A 63 THR OG1 : rot 121:sc= 0.525 USER MOD Single : A 66 LYS NZ :NH3+ 148:sc= 1.07 (180deg=0.673) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.53) USER MOD Single : A 71 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-5.1!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -171:sc= -1.63! USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 102:sc= 0.343 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -161:sc= 0.431 USER MOD Single : A 105 HIS : no HD1:sc= -0.554 X(o=-0.55,f=-0.63) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 8:sc= 0.996 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -2.92! C(o=-2.9!,f=-6.7!) USER MOD Single : A 131 LYS NZ :NH3+ -149:sc= -0.0318 (180deg=-0.382) USER MOD Single : A 132 THR OG1 : rot -150:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc=-0.00491 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc=-0.00573 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.244 1.685 25.507 1.00 0.00 N ATOM 2 CA GLY A 1 21.447 2.098 24.364 1.00 0.00 C ATOM 3 C GLY A 1 22.184 3.148 23.531 1.00 0.00 C ATOM 4 O GLY A 1 23.049 3.857 24.044 1.00 0.00 O ATOM 0 H1 GLY A 1 21.648 1.672 26.359 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.627 0.733 25.338 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.028 2.354 25.643 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.219 1.231 23.743 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.495 2.504 24.707 1.00 0.00 H new ATOM 8 N SER A 2 21.814 3.216 22.261 1.00 0.00 N ATOM 9 CA SER A 2 22.430 4.168 21.352 1.00 0.00 C ATOM 10 C SER A 2 21.835 4.014 19.951 1.00 0.00 C ATOM 11 O SER A 2 21.169 3.022 19.661 1.00 0.00 O ATOM 12 CB SER A 2 23.948 3.985 21.307 1.00 0.00 C ATOM 13 OG SER A 2 24.631 5.011 22.022 1.00 0.00 O ATOM 0 H SER A 2 21.095 2.627 21.840 1.00 0.00 H new ATOM 0 HA SER A 2 22.224 5.173 21.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.209 3.014 21.729 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.282 3.982 20.269 1.00 0.00 H new ATOM 0 HG SER A 2 24.348 4.999 22.960 1.00 0.00 H new ATOM 19 N SER A 3 22.097 5.011 19.119 1.00 0.00 N ATOM 20 CA SER A 3 21.595 4.999 17.755 1.00 0.00 C ATOM 21 C SER A 3 22.142 6.203 16.985 1.00 0.00 C ATOM 22 O SER A 3 22.752 7.095 17.573 1.00 0.00 O ATOM 23 CB SER A 3 20.066 5.004 17.730 1.00 0.00 C ATOM 24 OG SER A 3 19.531 6.294 18.013 1.00 0.00 O ATOM 0 H SER A 3 22.650 5.833 19.363 1.00 0.00 H new ATOM 0 HA SER A 3 21.936 4.082 17.274 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.719 4.674 16.751 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.689 4.287 18.460 1.00 0.00 H new ATOM 0 HG SER A 3 18.552 6.255 17.986 1.00 0.00 H new ATOM 30 N GLY A 4 21.904 6.190 15.682 1.00 0.00 N ATOM 31 CA GLY A 4 22.366 7.269 14.826 1.00 0.00 C ATOM 32 C GLY A 4 21.479 7.403 13.586 1.00 0.00 C ATOM 33 O GLY A 4 20.503 6.670 13.435 1.00 0.00 O ATOM 0 H GLY A 4 21.397 5.449 15.198 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.363 8.206 15.383 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.396 7.082 14.522 1.00 0.00 H new ATOM 37 N SER A 5 21.850 8.344 12.731 1.00 0.00 N ATOM 38 CA SER A 5 21.101 8.583 11.509 1.00 0.00 C ATOM 39 C SER A 5 21.815 9.632 10.654 1.00 0.00 C ATOM 40 O SER A 5 22.679 10.356 11.147 1.00 0.00 O ATOM 41 CB SER A 5 19.672 9.034 11.819 1.00 0.00 C ATOM 42 OG SER A 5 18.811 8.888 10.693 1.00 0.00 O ATOM 0 H SER A 5 22.660 8.950 12.860 1.00 0.00 H new ATOM 0 HA SER A 5 21.046 7.647 10.953 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.281 8.451 12.653 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.681 10.077 12.136 1.00 0.00 H new ATOM 0 HG SER A 5 17.908 9.185 10.931 1.00 0.00 H new ATOM 48 N SER A 6 21.428 9.681 9.388 1.00 0.00 N ATOM 49 CA SER A 6 22.020 10.629 8.460 1.00 0.00 C ATOM 50 C SER A 6 21.312 10.548 7.106 1.00 0.00 C ATOM 51 O SER A 6 20.605 9.581 6.828 1.00 0.00 O ATOM 52 CB SER A 6 23.519 10.372 8.292 1.00 0.00 C ATOM 53 OG SER A 6 23.782 9.080 7.751 1.00 0.00 O ATOM 0 H SER A 6 20.711 9.079 8.983 1.00 0.00 H new ATOM 0 HA SER A 6 21.894 11.632 8.869 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.946 11.133 7.638 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.014 10.468 9.258 1.00 0.00 H new ATOM 0 HG SER A 6 24.750 8.955 7.658 1.00 0.00 H new ATOM 59 N GLY A 7 21.527 11.577 6.300 1.00 0.00 N ATOM 60 CA GLY A 7 20.918 11.634 4.982 1.00 0.00 C ATOM 61 C GLY A 7 21.207 12.975 4.302 1.00 0.00 C ATOM 62 O GLY A 7 21.656 13.919 4.950 1.00 0.00 O ATOM 0 H GLY A 7 22.114 12.378 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.299 10.820 4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.841 11.491 5.069 1.00 0.00 H new ATOM 66 N SER A 8 20.937 13.015 3.006 1.00 0.00 N ATOM 67 CA SER A 8 21.163 14.223 2.231 1.00 0.00 C ATOM 68 C SER A 8 20.792 13.983 0.767 1.00 0.00 C ATOM 69 O SER A 8 21.002 12.891 0.241 1.00 0.00 O ATOM 70 CB SER A 8 22.617 14.686 2.342 1.00 0.00 C ATOM 71 OG SER A 8 22.715 16.042 2.769 1.00 0.00 O ATOM 0 H SER A 8 20.564 12.230 2.473 1.00 0.00 H new ATOM 0 HA SER A 8 20.528 15.011 2.635 1.00 0.00 H new ATOM 0 HB2 SER A 8 23.149 14.045 3.045 1.00 0.00 H new ATOM 0 HB3 SER A 8 23.108 14.574 1.375 1.00 0.00 H new ATOM 0 HG SER A 8 23.659 16.299 2.829 1.00 0.00 H new ATOM 77 N TRP A 9 20.248 15.021 0.149 1.00 0.00 N ATOM 78 CA TRP A 9 19.846 14.937 -1.245 1.00 0.00 C ATOM 79 C TRP A 9 19.329 16.312 -1.672 1.00 0.00 C ATOM 80 O TRP A 9 18.979 17.137 -0.830 1.00 0.00 O ATOM 81 CB TRP A 9 18.820 13.821 -1.453 1.00 0.00 C ATOM 82 CG TRP A 9 17.737 13.763 -0.374 1.00 0.00 C ATOM 83 CD1 TRP A 9 16.747 14.638 -0.150 1.00 0.00 C ATOM 84 CD2 TRP A 9 17.574 12.734 0.625 1.00 0.00 C ATOM 85 NE1 TRP A 9 15.961 14.250 0.916 1.00 0.00 N ATOM 86 CE2 TRP A 9 16.480 13.056 1.403 1.00 0.00 C ATOM 87 CE3 TRP A 9 18.326 11.571 0.865 1.00 0.00 C ATOM 88 CZ2 TRP A 9 16.039 12.265 2.471 1.00 0.00 C ATOM 89 CZ3 TRP A 9 17.872 10.791 1.936 1.00 0.00 C ATOM 90 CH2 TRP A 9 16.773 11.101 2.728 1.00 0.00 C ATOM 0 H TRP A 9 20.076 15.925 0.588 1.00 0.00 H new ATOM 0 HA TRP A 9 20.695 14.673 -1.876 1.00 0.00 H new ATOM 0 HB2 TRP A 9 18.344 13.955 -2.424 1.00 0.00 H new ATOM 0 HB3 TRP A 9 19.340 12.864 -1.483 1.00 0.00 H new ATOM 0 HD1 TRP A 9 16.585 15.534 -0.731 1.00 0.00 H new ATOM 0 HE1 TRP A 9 15.148 14.748 1.280 1.00 0.00 H new ATOM 0 HE3 TRP A 9 19.186 11.300 0.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 15.179 12.538 3.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 18.414 9.885 2.162 1.00 0.00 H new ATOM 0 HH2 TRP A 9 16.486 10.447 3.538 1.00 0.00 H new ATOM 101 N ASN A 10 19.299 16.516 -2.981 1.00 0.00 N ATOM 102 CA ASN A 10 18.831 17.778 -3.530 1.00 0.00 C ATOM 103 C ASN A 10 17.337 17.669 -3.844 1.00 0.00 C ATOM 104 O ASN A 10 16.538 18.469 -3.359 1.00 0.00 O ATOM 105 CB ASN A 10 19.563 18.118 -4.829 1.00 0.00 C ATOM 106 CG ASN A 10 20.956 18.683 -4.542 1.00 0.00 C ATOM 107 OD1 ASN A 10 21.118 19.717 -3.916 1.00 0.00 O ATOM 108 ND2 ASN A 10 21.950 17.947 -5.032 1.00 0.00 N ATOM 0 H ASN A 10 19.591 15.830 -3.677 1.00 0.00 H new ATOM 0 HA ASN A 10 19.022 18.558 -2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 10 19.649 17.224 -5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.983 18.844 -5.398 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.917 18.239 -4.892 1.00 0.00 H new ATOM 0 HD22 ASN A 10 21.745 17.091 -5.547 1.00 0.00 H new ATOM 115 N GLN A 11 17.006 16.674 -4.654 1.00 0.00 N ATOM 116 CA GLN A 11 15.623 16.451 -5.038 1.00 0.00 C ATOM 117 C GLN A 11 14.875 15.713 -3.926 1.00 0.00 C ATOM 118 O GLN A 11 15.485 15.257 -2.960 1.00 0.00 O ATOM 119 CB GLN A 11 15.538 15.683 -6.359 1.00 0.00 C ATOM 120 CG GLN A 11 14.867 16.530 -7.443 1.00 0.00 C ATOM 121 CD GLN A 11 15.899 17.065 -8.438 1.00 0.00 C ATOM 122 OE1 GLN A 11 17.093 16.850 -8.309 1.00 0.00 O ATOM 123 NE2 GLN A 11 15.374 17.773 -9.434 1.00 0.00 N ATOM 0 H GLN A 11 17.672 16.013 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 11 15.147 17.420 -5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 11 16.539 15.397 -6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.975 14.761 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 11 14.125 15.931 -7.970 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.335 17.362 -6.982 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.365 17.915 -9.482 1.00 0.00 H new ATOM 0 HE22 GLN A 11 15.980 18.174 -10.150 1.00 0.00 H new ATOM 132 N ALA A 12 13.565 15.618 -4.099 1.00 0.00 N ATOM 133 CA ALA A 12 12.728 14.942 -3.122 1.00 0.00 C ATOM 134 C ALA A 12 12.133 13.681 -3.751 1.00 0.00 C ATOM 135 O ALA A 12 11.943 13.619 -4.965 1.00 0.00 O ATOM 136 CB ALA A 12 11.651 15.906 -2.619 1.00 0.00 C ATOM 0 H ALA A 12 13.062 15.998 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 12 13.318 14.633 -2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.023 15.400 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.125 16.771 -2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.037 16.235 -3.457 1.00 0.00 H new ATOM 142 N PRO A 13 11.848 12.681 -2.875 1.00 0.00 N ATOM 143 CA PRO A 13 11.279 11.425 -3.332 1.00 0.00 C ATOM 144 C PRO A 13 9.798 11.588 -3.680 1.00 0.00 C ATOM 145 O PRO A 13 9.004 12.015 -2.843 1.00 0.00 O ATOM 146 CB PRO A 13 11.517 10.447 -2.192 1.00 0.00 C ATOM 147 CG PRO A 13 11.790 11.299 -0.963 1.00 0.00 C ATOM 148 CD PRO A 13 12.060 12.720 -1.431 1.00 0.00 C ATOM 0 HA PRO A 13 11.740 11.065 -4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.648 9.807 -2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.361 9.792 -2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.937 11.276 -0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.646 10.910 -0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.386 13.430 -0.951 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.076 13.031 -1.188 1.00 0.00 H new ATOM 156 N LYS A 14 9.472 11.240 -4.916 1.00 0.00 N ATOM 157 CA LYS A 14 8.100 11.343 -5.385 1.00 0.00 C ATOM 158 C LYS A 14 7.496 9.942 -5.493 1.00 0.00 C ATOM 159 O LYS A 14 8.176 8.999 -5.895 1.00 0.00 O ATOM 160 CB LYS A 14 8.038 12.142 -6.688 1.00 0.00 C ATOM 161 CG LYS A 14 7.482 13.546 -6.445 1.00 0.00 C ATOM 162 CD LYS A 14 6.946 14.156 -7.742 1.00 0.00 C ATOM 163 CE LYS A 14 8.089 14.505 -8.697 1.00 0.00 C ATOM 164 NZ LYS A 14 8.489 15.920 -8.532 1.00 0.00 N ATOM 0 H LYS A 14 10.134 10.887 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 14 7.493 11.897 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.035 12.212 -7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.411 11.619 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.685 13.502 -5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.264 14.185 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.266 13.454 -8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.370 15.053 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.943 13.855 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.778 14.327 -9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.266 16.140 -9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.677 16.537 -8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.806 16.079 -7.554 1.00 0.00 H new ATOM 178 N LEU A 15 6.226 9.849 -5.127 1.00 0.00 N ATOM 179 CA LEU A 15 5.523 8.579 -5.178 1.00 0.00 C ATOM 180 C LEU A 15 4.108 8.805 -5.713 1.00 0.00 C ATOM 181 O LEU A 15 3.257 9.355 -5.015 1.00 0.00 O ATOM 182 CB LEU A 15 5.561 7.890 -3.812 1.00 0.00 C ATOM 183 CG LEU A 15 4.536 6.776 -3.594 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.481 5.837 -4.801 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.815 6.021 -2.293 1.00 0.00 C ATOM 0 H LEU A 15 5.666 10.633 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 15 6.020 7.897 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.557 7.473 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.415 8.647 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 15 3.551 7.233 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.744 5.054 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.199 6.402 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.461 5.385 -4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.072 5.234 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.810 5.577 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.763 6.713 -1.452 1.00 0.00 H new ATOM 197 N HIS A 16 3.899 8.369 -6.947 1.00 0.00 N ATOM 198 CA HIS A 16 2.602 8.517 -7.583 1.00 0.00 C ATOM 199 C HIS A 16 1.653 7.429 -7.075 1.00 0.00 C ATOM 200 O HIS A 16 2.062 6.286 -6.881 1.00 0.00 O ATOM 201 CB HIS A 16 2.741 8.518 -9.107 1.00 0.00 C ATOM 202 CG HIS A 16 1.566 9.132 -9.831 1.00 0.00 C ATOM 203 ND1 HIS A 16 1.008 10.372 -9.732 1.00 0.00 N flip ATOM 204 CD2 HIS A 16 0.831 8.446 -10.782 1.00 0.00 C flip ATOM 205 CE1 HIS A 16 -0.013 10.441 -10.578 1.00 0.00 C flip ATOM 206 NE2 HIS A 16 -0.124 9.248 -11.230 1.00 0.00 N flip ATOM 0 H HIS A 16 4.607 7.913 -7.523 1.00 0.00 H new ATOM 0 HA HIS A 16 2.170 9.481 -7.315 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.646 9.061 -9.379 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.870 7.492 -9.450 1.00 0.00 H new ATOM 0 HD1 HIS A 16 1.322 11.120 -9.113 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.006 7.430 -11.104 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.651 11.300 -10.726 1.00 0.00 H new ATOM 214 N TYR A 17 0.405 7.824 -6.874 1.00 0.00 N ATOM 215 CA TYR A 17 -0.605 6.897 -6.392 1.00 0.00 C ATOM 216 C TYR A 17 -2.012 7.391 -6.736 1.00 0.00 C ATOM 217 O TYR A 17 -2.265 8.595 -6.749 1.00 0.00 O ATOM 218 CB TYR A 17 -0.449 6.857 -4.871 1.00 0.00 C ATOM 219 CG TYR A 17 -0.346 8.237 -4.219 1.00 0.00 C ATOM 220 CD1 TYR A 17 -1.483 8.995 -4.027 1.00 0.00 C ATOM 221 CD2 TYR A 17 0.883 8.724 -3.823 1.00 0.00 C ATOM 222 CE1 TYR A 17 -1.387 10.295 -3.413 1.00 0.00 C ATOM 223 CE2 TYR A 17 0.979 10.023 -3.210 1.00 0.00 C ATOM 224 CZ TYR A 17 -0.160 10.744 -3.035 1.00 0.00 C ATOM 225 OH TYR A 17 -0.069 11.972 -2.456 1.00 0.00 O ATOM 0 H TYR A 17 0.070 8.774 -7.036 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.477 5.917 -6.851 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.300 6.327 -4.443 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.443 6.282 -4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.445 8.614 -4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.773 8.131 -3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.269 10.899 -3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.935 10.416 -2.896 1.00 0.00 H new ATOM 0 HH TYR A 17 0.309 11.882 -1.556 1.00 0.00 H new ATOM 235 N CYS A 18 -2.890 6.437 -7.005 1.00 0.00 N ATOM 236 CA CYS A 18 -4.265 6.760 -7.348 1.00 0.00 C ATOM 237 C CYS A 18 -5.186 6.062 -6.346 1.00 0.00 C ATOM 238 O CYS A 18 -5.503 4.884 -6.505 1.00 0.00 O ATOM 239 CB CYS A 18 -4.594 6.374 -8.791 1.00 0.00 C ATOM 240 SG CYS A 18 -6.404 6.423 -9.055 1.00 0.00 S ATOM 0 H CYS A 18 -2.677 5.440 -6.993 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.414 7.838 -7.287 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.099 7.058 -9.481 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.214 5.375 -9.005 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.864 7.583 -8.691 1.00 0.00 H new ATOM 246 N LEU A 19 -5.591 6.818 -5.336 1.00 0.00 N ATOM 247 CA LEU A 19 -6.470 6.287 -4.308 1.00 0.00 C ATOM 248 C LEU A 19 -7.884 6.147 -4.875 1.00 0.00 C ATOM 249 O LEU A 19 -8.383 7.055 -5.538 1.00 0.00 O ATOM 250 CB LEU A 19 -6.396 7.145 -3.043 1.00 0.00 C ATOM 251 CG LEU A 19 -4.997 7.602 -2.624 1.00 0.00 C ATOM 252 CD1 LEU A 19 -5.033 8.295 -1.261 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.008 6.435 -2.648 1.00 0.00 C ATOM 0 H LEU A 19 -5.326 7.795 -5.208 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.146 5.290 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.016 8.029 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.835 6.582 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.646 8.336 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.026 8.610 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.685 9.167 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.414 7.602 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.022 6.788 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.343 5.660 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.954 6.025 -3.656 1.00 0.00 H new ATOM 265 N ASP A 20 -8.490 5.003 -4.592 1.00 0.00 N ATOM 266 CA ASP A 20 -9.837 4.734 -5.065 1.00 0.00 C ATOM 267 C ASP A 20 -10.495 3.695 -4.154 1.00 0.00 C ATOM 268 O ASP A 20 -10.043 2.553 -4.081 1.00 0.00 O ATOM 269 CB ASP A 20 -9.819 4.170 -6.488 1.00 0.00 C ATOM 270 CG ASP A 20 -11.195 3.855 -7.076 1.00 0.00 C ATOM 271 OD1 ASP A 20 -11.748 2.801 -6.693 1.00 0.00 O ATOM 272 OD2 ASP A 20 -11.664 4.674 -7.896 1.00 0.00 O ATOM 0 H ASP A 20 -8.073 4.252 -4.041 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.391 5.673 -5.055 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.317 4.885 -7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.221 3.259 -6.494 1.00 0.00 H new ATOM 277 N TYR A 21 -11.552 4.128 -3.483 1.00 0.00 N ATOM 278 CA TYR A 21 -12.276 3.250 -2.580 1.00 0.00 C ATOM 279 C TYR A 21 -13.511 2.660 -3.262 1.00 0.00 C ATOM 280 O TYR A 21 -14.378 3.396 -3.731 1.00 0.00 O ATOM 281 CB TYR A 21 -12.725 4.127 -1.409 1.00 0.00 C ATOM 282 CG TYR A 21 -13.323 3.344 -0.238 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.495 2.663 0.630 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.690 3.319 -0.051 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.057 1.926 1.732 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.252 2.582 1.051 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.408 1.922 1.888 1.00 0.00 C ATOM 288 OH TYR A 21 -14.940 1.226 2.928 1.00 0.00 O ATOM 0 H TYR A 21 -11.924 5.075 -3.547 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.644 2.420 -2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.871 4.701 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.463 4.844 -1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.425 2.683 0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.338 3.852 -0.731 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.420 1.389 2.419 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.320 2.554 1.209 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.543 0.331 2.960 1.00 0.00 H new ATOM 298 N ASP A 22 -13.553 1.336 -3.296 1.00 0.00 N ATOM 299 CA ASP A 22 -14.667 0.638 -3.914 1.00 0.00 C ATOM 300 C ASP A 22 -15.657 0.206 -2.830 1.00 0.00 C ATOM 301 O ASP A 22 -15.584 -0.915 -2.329 1.00 0.00 O ATOM 302 CB ASP A 22 -14.193 -0.618 -4.648 1.00 0.00 C ATOM 303 CG ASP A 22 -14.888 -0.888 -5.984 1.00 0.00 C ATOM 304 OD1 ASP A 22 -15.963 -1.524 -5.945 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.328 -0.452 -7.013 1.00 0.00 O ATOM 0 H ASP A 22 -12.833 0.728 -2.905 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.135 1.317 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.121 -0.535 -4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.343 -1.479 -3.997 1.00 0.00 H new ATOM 310 N CYS A 23 -16.559 1.118 -2.499 1.00 0.00 N ATOM 311 CA CYS A 23 -17.561 0.846 -1.484 1.00 0.00 C ATOM 312 C CYS A 23 -18.089 -0.574 -1.698 1.00 0.00 C ATOM 313 O CYS A 23 -18.442 -1.260 -0.741 1.00 0.00 O ATOM 314 CB CYS A 23 -18.687 1.883 -1.507 1.00 0.00 C ATOM 315 SG CYS A 23 -19.866 1.496 -2.851 1.00 0.00 S ATOM 0 H CYS A 23 -16.616 2.047 -2.917 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.109 0.919 -0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.205 1.890 -0.548 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.271 2.880 -1.652 1.00 0.00 H new ATOM 0 HG CYS A 23 -20.819 2.380 -2.861 1.00 0.00 H new ATOM 321 N GLN A 24 -18.126 -0.973 -2.961 1.00 0.00 N ATOM 322 CA GLN A 24 -18.605 -2.298 -3.314 1.00 0.00 C ATOM 323 C GLN A 24 -17.760 -3.369 -2.622 1.00 0.00 C ATOM 324 O GLN A 24 -18.298 -4.293 -2.013 1.00 0.00 O ATOM 325 CB GLN A 24 -18.606 -2.496 -4.831 1.00 0.00 C ATOM 326 CG GLN A 24 -19.088 -1.233 -5.548 1.00 0.00 C ATOM 327 CD GLN A 24 -20.156 -1.568 -6.591 1.00 0.00 C ATOM 328 OE1 GLN A 24 -20.989 -2.440 -6.405 1.00 0.00 O ATOM 329 NE2 GLN A 24 -20.084 -0.830 -7.695 1.00 0.00 N ATOM 0 H GLN A 24 -17.832 -0.401 -3.753 1.00 0.00 H new ATOM 0 HA GLN A 24 -19.634 -2.395 -2.968 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -17.601 -2.749 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.251 -3.335 -5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.493 -0.530 -4.820 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -18.244 -0.741 -6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -19.361 -0.116 -7.785 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -20.752 -0.978 -8.452 1.00 0.00 H new ATOM 338 N LYS A 25 -16.449 -3.210 -2.739 1.00 0.00 N ATOM 339 CA LYS A 25 -15.524 -4.152 -2.132 1.00 0.00 C ATOM 340 C LYS A 25 -15.250 -3.732 -0.687 1.00 0.00 C ATOM 341 O LYS A 25 -14.888 -4.561 0.147 1.00 0.00 O ATOM 342 CB LYS A 25 -14.261 -4.287 -2.984 1.00 0.00 C ATOM 343 CG LYS A 25 -14.601 -4.277 -4.476 1.00 0.00 C ATOM 344 CD LYS A 25 -13.565 -5.064 -5.280 1.00 0.00 C ATOM 345 CE LYS A 25 -14.231 -5.854 -6.408 1.00 0.00 C ATOM 346 NZ LYS A 25 -13.489 -5.674 -7.676 1.00 0.00 N ATOM 0 H LYS A 25 -16.006 -2.443 -3.245 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.964 -5.149 -2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.577 -3.469 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.745 -5.213 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.590 -4.708 -4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.642 -3.249 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.827 -4.379 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.029 -5.747 -4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.266 -6.912 -6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.262 -5.522 -6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.955 -6.217 -8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.477 -4.666 -7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.513 -6.012 -7.558 1.00 0.00 H new ATOM 360 N ALA A 26 -15.432 -2.444 -0.434 1.00 0.00 N ATOM 361 CA ALA A 26 -15.209 -1.904 0.896 1.00 0.00 C ATOM 362 C ALA A 26 -13.721 -2.004 1.239 1.00 0.00 C ATOM 363 O ALA A 26 -13.362 -2.338 2.367 1.00 0.00 O ATOM 364 CB ALA A 26 -16.091 -2.644 1.903 1.00 0.00 C ATOM 0 H ALA A 26 -15.731 -1.759 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.486 -0.850 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.923 -2.238 2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.139 -2.517 1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.840 -3.705 1.896 1.00 0.00 H new ATOM 370 N GLU A 27 -12.896 -1.709 0.246 1.00 0.00 N ATOM 371 CA GLU A 27 -11.455 -1.762 0.428 1.00 0.00 C ATOM 372 C GLU A 27 -10.783 -0.606 -0.314 1.00 0.00 C ATOM 373 O GLU A 27 -11.150 -0.293 -1.446 1.00 0.00 O ATOM 374 CB GLU A 27 -10.894 -3.109 -0.031 1.00 0.00 C ATOM 375 CG GLU A 27 -11.598 -4.268 0.678 1.00 0.00 C ATOM 376 CD GLU A 27 -10.594 -5.338 1.110 1.00 0.00 C ATOM 377 OE1 GLU A 27 -9.440 -4.952 1.397 1.00 0.00 O ATOM 378 OE2 GLU A 27 -11.003 -6.519 1.144 1.00 0.00 O ATOM 0 H GLU A 27 -13.198 -1.432 -0.688 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.239 -1.659 1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.017 -3.209 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.824 -3.150 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.134 -3.894 1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.341 -4.709 0.013 1.00 0.00 H new ATOM 385 N LEU A 28 -9.810 -0.002 0.353 1.00 0.00 N ATOM 386 CA LEU A 28 -9.083 1.113 -0.230 1.00 0.00 C ATOM 387 C LEU A 28 -8.019 0.576 -1.189 1.00 0.00 C ATOM 388 O LEU A 28 -7.395 -0.449 -0.919 1.00 0.00 O ATOM 389 CB LEU A 28 -8.522 2.019 0.868 1.00 0.00 C ATOM 390 CG LEU A 28 -7.975 3.371 0.407 1.00 0.00 C ATOM 391 CD1 LEU A 28 -6.617 3.209 -0.280 1.00 0.00 C ATOM 392 CD2 LEU A 28 -8.985 4.096 -0.485 1.00 0.00 C ATOM 0 H LEU A 28 -9.508 -0.264 1.292 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.753 1.741 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.309 2.198 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.724 1.483 1.382 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.818 3.993 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.251 4.185 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.907 2.765 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.724 2.561 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.571 5.054 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.197 3.487 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.907 4.264 0.071 1.00 0.00 H new ATOM 404 N PHE A 29 -7.844 1.294 -2.289 1.00 0.00 N ATOM 405 CA PHE A 29 -6.865 0.903 -3.290 1.00 0.00 C ATOM 406 C PHE A 29 -5.862 2.029 -3.545 1.00 0.00 C ATOM 407 O PHE A 29 -6.207 3.206 -3.450 1.00 0.00 O ATOM 408 CB PHE A 29 -7.635 0.620 -4.582 1.00 0.00 C ATOM 409 CG PHE A 29 -8.548 -0.606 -4.506 1.00 0.00 C ATOM 410 CD1 PHE A 29 -9.773 -0.506 -3.923 1.00 0.00 C ATOM 411 CD2 PHE A 29 -8.135 -1.795 -5.021 1.00 0.00 C ATOM 412 CE1 PHE A 29 -10.620 -1.644 -3.853 1.00 0.00 C ATOM 413 CE2 PHE A 29 -8.982 -2.932 -4.951 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.207 -2.832 -4.368 1.00 0.00 C ATOM 0 H PHE A 29 -8.363 2.144 -2.509 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.311 0.030 -2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.237 1.493 -4.833 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.922 0.480 -5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.101 0.438 -3.514 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.162 -1.874 -5.483 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.593 -1.565 -3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.654 -3.876 -5.360 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.852 -3.697 -4.314 1.00 0.00 H new ATOM 424 N VAL A 30 -4.640 1.629 -3.864 1.00 0.00 N ATOM 425 CA VAL A 30 -3.584 2.590 -4.133 1.00 0.00 C ATOM 426 C VAL A 30 -2.856 2.194 -5.419 1.00 0.00 C ATOM 427 O VAL A 30 -1.701 1.771 -5.378 1.00 0.00 O ATOM 428 CB VAL A 30 -2.650 2.693 -2.925 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.444 3.581 -3.239 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.401 3.204 -1.694 1.00 0.00 C ATOM 0 H VAL A 30 -4.358 0.652 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.003 3.584 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.280 1.692 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.796 3.638 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.888 3.157 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.787 4.582 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.715 3.268 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.812 4.192 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.212 2.517 -1.451 1.00 0.00 H new ATOM 440 N THR A 31 -3.561 2.345 -6.531 1.00 0.00 N ATOM 441 CA THR A 31 -2.996 2.008 -7.827 1.00 0.00 C ATOM 442 C THR A 31 -2.119 3.153 -8.339 1.00 0.00 C ATOM 443 O THR A 31 -1.754 4.048 -7.580 1.00 0.00 O ATOM 444 CB THR A 31 -4.150 1.658 -8.768 1.00 0.00 C ATOM 445 OG1 THR A 31 -5.013 2.789 -8.696 1.00 0.00 O ATOM 446 CG2 THR A 31 -5.004 0.503 -8.242 1.00 0.00 C ATOM 0 H THR A 31 -4.518 2.696 -6.561 1.00 0.00 H new ATOM 0 HA THR A 31 -2.338 1.141 -7.760 1.00 0.00 H new ATOM 0 HB THR A 31 -3.752 1.398 -9.749 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.788 2.647 -9.278 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.809 0.295 -8.947 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.383 -0.386 -8.127 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.429 0.776 -7.276 1.00 0.00 H new ATOM 454 N ARG A 32 -1.807 3.086 -9.625 1.00 0.00 N ATOM 455 CA ARG A 32 -0.980 4.105 -10.249 1.00 0.00 C ATOM 456 C ARG A 32 0.256 4.383 -9.392 1.00 0.00 C ATOM 457 O ARG A 32 0.446 5.500 -8.914 1.00 0.00 O ATOM 458 CB ARG A 32 -1.762 5.406 -10.442 1.00 0.00 C ATOM 459 CG ARG A 32 -3.022 5.170 -11.277 1.00 0.00 C ATOM 460 CD ARG A 32 -2.677 5.022 -12.760 1.00 0.00 C ATOM 461 NE ARG A 32 -3.917 4.893 -13.558 1.00 0.00 N ATOM 462 CZ ARG A 32 -4.008 5.200 -14.859 1.00 0.00 C ATOM 463 NH1 ARG A 32 -2.934 5.656 -15.517 1.00 0.00 N ATOM 464 NH2 ARG A 32 -5.175 5.051 -15.502 1.00 0.00 N ATOM 0 H ARG A 32 -2.112 2.342 -10.252 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.672 3.731 -11.226 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.037 5.817 -9.470 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.129 6.145 -10.933 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.532 4.272 -10.927 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.713 6.002 -11.142 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.106 5.887 -13.097 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.046 4.146 -12.909 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.754 4.549 -13.088 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.046 5.770 -15.028 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.004 5.890 -16.507 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.993 4.704 -15.001 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.245 5.285 -16.492 1.00 0.00 H new ATOM 478 N LEU A 33 1.065 3.347 -9.223 1.00 0.00 N ATOM 479 CA LEU A 33 2.278 3.466 -8.431 1.00 0.00 C ATOM 480 C LEU A 33 3.447 3.829 -9.349 1.00 0.00 C ATOM 481 O LEU A 33 3.787 3.071 -10.256 1.00 0.00 O ATOM 482 CB LEU A 33 2.510 2.194 -7.613 1.00 0.00 C ATOM 483 CG LEU A 33 1.449 1.870 -6.561 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.585 0.427 -6.071 1.00 0.00 C ATOM 485 CD2 LEU A 33 1.496 2.874 -5.407 1.00 0.00 C ATOM 0 H LEU A 33 0.904 2.422 -9.621 1.00 0.00 H new ATOM 0 HA LEU A 33 2.181 4.272 -7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.580 1.351 -8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.475 2.278 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 33 0.468 1.961 -7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.818 0.223 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.463 -0.256 -6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.571 0.285 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.731 2.621 -4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.478 2.840 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.313 3.878 -5.790 1.00 0.00 H new ATOM 497 N GLU A 34 4.029 4.989 -9.081 1.00 0.00 N ATOM 498 CA GLU A 34 5.153 5.462 -9.872 1.00 0.00 C ATOM 499 C GLU A 34 6.109 6.278 -8.999 1.00 0.00 C ATOM 500 O GLU A 34 5.941 7.487 -8.852 1.00 0.00 O ATOM 501 CB GLU A 34 4.673 6.279 -11.072 1.00 0.00 C ATOM 502 CG GLU A 34 3.472 5.613 -11.745 1.00 0.00 C ATOM 503 CD GLU A 34 3.160 6.273 -13.090 1.00 0.00 C ATOM 504 OE1 GLU A 34 4.133 6.669 -13.767 1.00 0.00 O ATOM 505 OE2 GLU A 34 1.955 6.366 -13.410 1.00 0.00 O ATOM 0 H GLU A 34 3.744 5.615 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 34 5.692 4.596 -10.257 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.401 7.283 -10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.485 6.385 -11.792 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.677 4.553 -11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.602 5.680 -11.092 1.00 0.00 H new ATOM 512 N ALA A 35 7.092 5.583 -8.444 1.00 0.00 N ATOM 513 CA ALA A 35 8.075 6.228 -7.590 1.00 0.00 C ATOM 514 C ALA A 35 9.010 7.080 -8.451 1.00 0.00 C ATOM 515 O ALA A 35 9.301 6.729 -9.593 1.00 0.00 O ATOM 516 CB ALA A 35 8.828 5.167 -6.786 1.00 0.00 C ATOM 0 H ALA A 35 7.228 4.580 -8.569 1.00 0.00 H new ATOM 0 HA ALA A 35 7.587 6.892 -6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.565 5.651 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.123 4.609 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.333 4.484 -7.469 1.00 0.00 H new ATOM 522 N VAL A 36 9.455 8.184 -7.869 1.00 0.00 N ATOM 523 CA VAL A 36 10.351 9.089 -8.568 1.00 0.00 C ATOM 524 C VAL A 36 11.529 9.440 -7.656 1.00 0.00 C ATOM 525 O VAL A 36 11.531 10.490 -7.016 1.00 0.00 O ATOM 526 CB VAL A 36 9.581 10.320 -9.050 1.00 0.00 C ATOM 527 CG1 VAL A 36 10.523 11.507 -9.264 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.792 10.010 -10.323 1.00 0.00 C ATOM 0 H VAL A 36 9.212 8.472 -6.921 1.00 0.00 H new ATOM 0 HA VAL A 36 10.760 8.609 -9.457 1.00 0.00 H new ATOM 0 HB VAL A 36 8.868 10.594 -8.273 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.950 12.369 -9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.020 11.751 -8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.271 11.247 -10.013 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.254 10.902 -10.644 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.479 9.698 -11.110 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.080 9.209 -10.124 1.00 0.00 H new ATOM 538 N THR A 37 12.501 8.540 -7.626 1.00 0.00 N ATOM 539 CA THR A 37 13.681 8.741 -6.803 1.00 0.00 C ATOM 540 C THR A 37 14.946 8.689 -7.662 1.00 0.00 C ATOM 541 O THR A 37 15.016 7.926 -8.624 1.00 0.00 O ATOM 542 CB THR A 37 13.662 7.696 -5.685 1.00 0.00 C ATOM 543 OG1 THR A 37 13.795 6.454 -6.370 1.00 0.00 O ATOM 544 CG2 THR A 37 12.299 7.599 -4.998 1.00 0.00 C ATOM 0 H THR A 37 12.495 7.670 -8.158 1.00 0.00 H new ATOM 0 HA THR A 37 13.679 9.729 -6.344 1.00 0.00 H new ATOM 0 HB THR A 37 14.424 7.941 -4.945 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.794 5.720 -5.720 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.340 6.844 -4.213 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.043 8.564 -4.560 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.541 7.320 -5.730 1.00 0.00 H new ATOM 552 N SER A 38 15.914 9.511 -7.284 1.00 0.00 N ATOM 553 CA SER A 38 17.173 9.567 -8.008 1.00 0.00 C ATOM 554 C SER A 38 18.313 9.078 -7.114 1.00 0.00 C ATOM 555 O SER A 38 18.144 8.945 -5.902 1.00 0.00 O ATOM 556 CB SER A 38 17.459 10.986 -8.504 1.00 0.00 C ATOM 557 OG SER A 38 17.635 11.903 -7.427 1.00 0.00 O ATOM 0 H SER A 38 15.852 10.143 -6.486 1.00 0.00 H new ATOM 0 HA SER A 38 17.097 8.915 -8.878 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.355 10.979 -9.125 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.636 11.322 -9.135 1.00 0.00 H new ATOM 0 HG SER A 38 17.817 12.797 -7.785 1.00 0.00 H new ATOM 563 N ASN A 39 19.450 8.822 -7.745 1.00 0.00 N ATOM 564 CA ASN A 39 20.618 8.350 -7.022 1.00 0.00 C ATOM 565 C ASN A 39 20.335 6.956 -6.459 1.00 0.00 C ATOM 566 O ASN A 39 19.582 6.812 -5.497 1.00 0.00 O ATOM 567 CB ASN A 39 20.951 9.274 -5.849 1.00 0.00 C ATOM 568 CG ASN A 39 22.378 9.814 -5.964 1.00 0.00 C ATOM 569 OD1 ASN A 39 23.341 9.075 -6.081 1.00 0.00 O ATOM 570 ND2 ASN A 39 22.459 11.141 -5.925 1.00 0.00 N ATOM 0 H ASN A 39 19.587 8.933 -8.750 1.00 0.00 H new ATOM 0 HA ASN A 39 21.458 8.331 -7.716 1.00 0.00 H new ATOM 0 HB2 ASN A 39 20.245 10.104 -5.824 1.00 0.00 H new ATOM 0 HB3 ASN A 39 20.838 8.731 -4.911 1.00 0.00 H new ATOM 0 HD21 ASN A 39 23.368 11.599 -5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 39 21.612 11.701 -5.825 1.00 0.00 H new ATOM 577 N HIS A 40 20.954 5.964 -7.082 1.00 0.00 N ATOM 578 CA HIS A 40 20.778 4.586 -6.656 1.00 0.00 C ATOM 579 C HIS A 40 22.022 3.773 -7.020 1.00 0.00 C ATOM 580 O HIS A 40 22.453 3.774 -8.172 1.00 0.00 O ATOM 581 CB HIS A 40 19.493 3.996 -7.240 1.00 0.00 C ATOM 582 CG HIS A 40 19.309 4.264 -8.715 1.00 0.00 C ATOM 583 ND1 HIS A 40 19.540 5.503 -9.286 1.00 0.00 N ATOM 584 CD2 HIS A 40 18.916 3.439 -9.728 1.00 0.00 C ATOM 585 CE1 HIS A 40 19.293 5.416 -10.585 1.00 0.00 C ATOM 586 NE2 HIS A 40 18.906 4.137 -10.857 1.00 0.00 N ATOM 0 H HIS A 40 21.578 6.087 -7.879 1.00 0.00 H new ATOM 0 HA HIS A 40 20.666 4.549 -5.572 1.00 0.00 H new ATOM 0 HB2 HIS A 40 19.492 2.919 -7.074 1.00 0.00 H new ATOM 0 HB3 HIS A 40 18.639 4.403 -6.698 1.00 0.00 H new ATOM 0 HD2 HIS A 40 18.657 2.395 -9.628 1.00 0.00 H new ATOM 0 HE1 HIS A 40 19.383 6.218 -11.303 1.00 0.00 H new ATOM 0 HE2 HIS A 40 18.651 3.776 -11.776 1.00 0.00 H new ATOM 594 N ASP A 41 22.564 3.099 -6.016 1.00 0.00 N ATOM 595 CA ASP A 41 23.750 2.284 -6.216 1.00 0.00 C ATOM 596 C ASP A 41 23.344 0.942 -6.828 1.00 0.00 C ATOM 597 O ASP A 41 22.545 0.207 -6.249 1.00 0.00 O ATOM 598 CB ASP A 41 24.455 2.003 -4.887 1.00 0.00 C ATOM 599 CG ASP A 41 23.533 1.580 -3.742 1.00 0.00 C ATOM 600 OD1 ASP A 41 22.383 1.199 -4.050 1.00 0.00 O ATOM 601 OD2 ASP A 41 23.999 1.648 -2.584 1.00 0.00 O ATOM 0 H ASP A 41 22.204 3.101 -5.062 1.00 0.00 H new ATOM 0 HA ASP A 41 24.426 2.828 -6.876 1.00 0.00 H new ATOM 0 HB2 ASP A 41 25.196 1.219 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 41 24.998 2.899 -4.584 1.00 0.00 H new ATOM 606 N GLY A 42 23.912 0.662 -7.992 1.00 0.00 N ATOM 607 CA GLY A 42 23.619 -0.578 -8.689 1.00 0.00 C ATOM 608 C GLY A 42 22.111 -0.769 -8.859 1.00 0.00 C ATOM 609 O GLY A 42 21.400 0.167 -9.222 1.00 0.00 O ATOM 0 H GLY A 42 24.574 1.273 -8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 42 24.101 -0.572 -9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 42 24.035 -1.418 -8.134 1.00 0.00 H new ATOM 613 N GLY A 43 21.666 -1.987 -8.587 1.00 0.00 N ATOM 614 CA GLY A 43 20.255 -2.312 -8.705 1.00 0.00 C ATOM 615 C GLY A 43 19.745 -3.008 -7.441 1.00 0.00 C ATOM 616 O GLY A 43 20.195 -4.103 -7.106 1.00 0.00 O ATOM 0 H GLY A 43 22.258 -2.761 -8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 43 19.682 -1.401 -8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.098 -2.958 -9.569 1.00 0.00 H new ATOM 620 N CYS A 44 18.813 -2.343 -6.774 1.00 0.00 N ATOM 621 CA CYS A 44 18.237 -2.884 -5.554 1.00 0.00 C ATOM 622 C CYS A 44 16.768 -3.216 -5.823 1.00 0.00 C ATOM 623 O CYS A 44 16.254 -2.942 -6.906 1.00 0.00 O ATOM 624 CB CYS A 44 18.399 -1.920 -4.377 1.00 0.00 C ATOM 625 SG CYS A 44 19.917 -2.326 -3.439 1.00 0.00 S ATOM 0 H CYS A 44 18.443 -1.435 -7.055 1.00 0.00 H new ATOM 0 HA CYS A 44 18.767 -3.793 -5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 44 18.450 -0.894 -4.741 1.00 0.00 H new ATOM 0 HB3 CYS A 44 17.530 -1.983 -3.723 1.00 0.00 H new ATOM 0 HG CYS A 44 20.046 -1.500 -2.443 1.00 0.00 H new ATOM 631 N ASP A 45 16.134 -3.802 -4.818 1.00 0.00 N ATOM 632 CA ASP A 45 14.734 -4.174 -4.932 1.00 0.00 C ATOM 633 C ASP A 45 13.899 -3.293 -4.001 1.00 0.00 C ATOM 634 O ASP A 45 13.984 -3.417 -2.781 1.00 0.00 O ATOM 635 CB ASP A 45 14.517 -5.633 -4.523 1.00 0.00 C ATOM 636 CG ASP A 45 14.273 -6.600 -5.682 1.00 0.00 C ATOM 637 OD1 ASP A 45 13.830 -6.112 -6.745 1.00 0.00 O ATOM 638 OD2 ASP A 45 14.533 -7.806 -5.480 1.00 0.00 O ATOM 0 H ASP A 45 16.564 -4.028 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 45 14.434 -4.042 -5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.390 -5.972 -3.965 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.666 -5.681 -3.844 1.00 0.00 H new ATOM 643 N CYS A 46 13.110 -2.422 -4.614 1.00 0.00 N ATOM 644 CA CYS A 46 12.260 -1.520 -3.856 1.00 0.00 C ATOM 645 C CYS A 46 10.802 -1.840 -4.190 1.00 0.00 C ATOM 646 O CYS A 46 10.517 -2.454 -5.217 1.00 0.00 O ATOM 647 CB CYS A 46 12.601 -0.054 -4.133 1.00 0.00 C ATOM 648 SG CYS A 46 12.612 0.255 -5.937 1.00 0.00 S ATOM 0 H CYS A 46 13.042 -2.322 -5.627 1.00 0.00 H new ATOM 0 HA CYS A 46 12.428 -1.668 -2.789 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.872 0.595 -3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.575 0.188 -3.708 1.00 0.00 H new ATOM 0 HG CYS A 46 12.476 1.528 -6.160 1.00 0.00 H new ATOM 654 N TYR A 47 9.917 -1.409 -3.302 1.00 0.00 N ATOM 655 CA TYR A 47 8.495 -1.643 -3.490 1.00 0.00 C ATOM 656 C TYR A 47 7.664 -0.631 -2.697 1.00 0.00 C ATOM 657 O TYR A 47 8.140 -0.068 -1.712 1.00 0.00 O ATOM 658 CB TYR A 47 8.222 -3.046 -2.946 1.00 0.00 C ATOM 659 CG TYR A 47 8.639 -3.240 -1.487 1.00 0.00 C ATOM 660 CD1 TYR A 47 9.945 -3.565 -1.180 1.00 0.00 C ATOM 661 CD2 TYR A 47 7.710 -3.091 -0.478 1.00 0.00 C ATOM 662 CE1 TYR A 47 10.338 -3.747 0.194 1.00 0.00 C ATOM 663 CE2 TYR A 47 8.102 -3.273 0.896 1.00 0.00 C ATOM 664 CZ TYR A 47 9.397 -3.593 1.163 1.00 0.00 C ATOM 665 OH TYR A 47 9.768 -3.765 2.461 1.00 0.00 O ATOM 0 H TYR A 47 10.157 -0.900 -2.451 1.00 0.00 H new ATOM 0 HA TYR A 47 8.226 -1.543 -4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.157 -3.260 -3.040 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.749 -3.773 -3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.672 -3.683 -1.970 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.688 -2.838 -0.719 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.357 -4.000 0.448 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.385 -3.158 1.695 1.00 0.00 H new ATOM 0 HH TYR A 47 8.993 -3.623 3.044 1.00 0.00 H new ATOM 675 N VAL A 48 6.438 -0.432 -3.156 1.00 0.00 N ATOM 676 CA VAL A 48 5.536 0.502 -2.502 1.00 0.00 C ATOM 677 C VAL A 48 4.713 -0.243 -1.450 1.00 0.00 C ATOM 678 O VAL A 48 4.213 -1.337 -1.708 1.00 0.00 O ATOM 679 CB VAL A 48 4.671 1.212 -3.546 1.00 0.00 C ATOM 680 CG1 VAL A 48 3.826 2.312 -2.900 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.531 1.775 -4.679 1.00 0.00 C ATOM 0 H VAL A 48 6.047 -0.901 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 48 6.099 1.278 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 48 3.992 0.476 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.221 2.801 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.173 1.873 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.481 3.046 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.892 2.274 -5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.246 2.491 -4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.069 0.962 -5.166 1.00 0.00 H new ATOM 691 N GLN A 49 4.597 0.378 -0.286 1.00 0.00 N ATOM 692 CA GLN A 49 3.843 -0.212 0.807 1.00 0.00 C ATOM 693 C GLN A 49 2.711 0.723 1.236 1.00 0.00 C ATOM 694 O GLN A 49 2.937 1.907 1.478 1.00 0.00 O ATOM 695 CB GLN A 49 4.758 -0.544 1.987 1.00 0.00 C ATOM 696 CG GLN A 49 3.979 -1.245 3.103 1.00 0.00 C ATOM 697 CD GLN A 49 4.520 -0.852 4.479 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.666 -0.463 4.637 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.635 -0.975 5.464 1.00 0.00 N ATOM 0 H GLN A 49 5.013 1.285 -0.075 1.00 0.00 H new ATOM 0 HA GLN A 49 3.403 -1.146 0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.574 -1.184 1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.208 0.371 2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.923 -0.983 3.035 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.048 -2.325 2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.691 -1.307 5.263 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.900 -0.738 6.420 1.00 0.00 H new ATOM 708 N GLY A 50 1.516 0.155 1.318 1.00 0.00 N ATOM 709 CA GLY A 50 0.348 0.923 1.714 1.00 0.00 C ATOM 710 C GLY A 50 -0.339 0.289 2.925 1.00 0.00 C ATOM 711 O GLY A 50 -0.906 -0.798 2.824 1.00 0.00 O ATOM 0 H GLY A 50 1.332 -0.828 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.644 1.945 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.354 0.980 0.882 1.00 0.00 H new ATOM 715 N SER A 51 -0.267 0.997 4.043 1.00 0.00 N ATOM 716 CA SER A 51 -0.875 0.518 5.273 1.00 0.00 C ATOM 717 C SER A 51 -2.030 1.435 5.677 1.00 0.00 C ATOM 718 O SER A 51 -1.969 2.646 5.468 1.00 0.00 O ATOM 719 CB SER A 51 0.156 0.433 6.401 1.00 0.00 C ATOM 720 OG SER A 51 -0.292 -0.393 7.472 1.00 0.00 O ATOM 0 H SER A 51 0.203 1.899 4.123 1.00 0.00 H new ATOM 0 HA SER A 51 -1.262 -0.485 5.095 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.093 0.039 6.007 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.364 1.434 6.778 1.00 0.00 H new ATOM 0 HG SER A 51 -1.221 -0.660 7.313 1.00 0.00 H new ATOM 726 N VAL A 52 -3.057 0.824 6.250 1.00 0.00 N ATOM 727 CA VAL A 52 -4.225 1.571 6.685 1.00 0.00 C ATOM 728 C VAL A 52 -4.468 1.306 8.173 1.00 0.00 C ATOM 729 O VAL A 52 -3.952 0.337 8.727 1.00 0.00 O ATOM 730 CB VAL A 52 -5.429 1.217 5.810 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.679 0.992 6.663 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.673 2.294 4.752 1.00 0.00 C ATOM 0 H VAL A 52 -3.104 -0.180 6.423 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.060 2.642 6.568 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.205 0.284 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.520 0.742 6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.501 0.173 7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.907 1.900 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.534 2.018 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.866 3.248 5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.793 2.384 4.115 1.00 0.00 H new ATOM 742 N ALA A 53 -5.254 2.186 8.776 1.00 0.00 N ATOM 743 CA ALA A 53 -5.572 2.060 10.188 1.00 0.00 C ATOM 744 C ALA A 53 -7.049 2.395 10.406 1.00 0.00 C ATOM 745 O ALA A 53 -7.459 3.543 10.244 1.00 0.00 O ATOM 746 CB ALA A 53 -4.643 2.961 11.004 1.00 0.00 C ATOM 0 H ALA A 53 -5.680 2.989 8.313 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.413 1.036 10.527 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.882 2.866 12.063 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.608 2.662 10.837 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.776 3.997 10.694 1.00 0.00 H new ATOM 752 N ASN A 54 -7.808 1.371 10.770 1.00 0.00 N ATOM 753 CA ASN A 54 -9.230 1.543 11.012 1.00 0.00 C ATOM 754 C ASN A 54 -9.527 1.285 12.490 1.00 0.00 C ATOM 755 O ASN A 54 -8.664 0.808 13.226 1.00 0.00 O ATOM 756 CB ASN A 54 -10.053 0.553 10.185 1.00 0.00 C ATOM 757 CG ASN A 54 -9.206 -0.652 9.770 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.318 -1.093 10.481 1.00 0.00 O ATOM 759 ND2 ASN A 54 -9.528 -1.157 8.583 1.00 0.00 N ATOM 0 H ASN A 54 -7.465 0.420 10.903 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.499 2.561 10.729 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.912 0.216 10.765 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.443 1.051 9.297 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -9.020 -1.962 8.217 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.283 -0.739 8.039 1.00 0.00 H new ATOM 766 N ARG A 55 -10.750 1.612 12.881 1.00 0.00 N ATOM 767 CA ARG A 55 -11.171 1.421 14.259 1.00 0.00 C ATOM 768 C ARG A 55 -11.152 -0.066 14.619 1.00 0.00 C ATOM 769 O ARG A 55 -11.202 -0.424 15.795 1.00 0.00 O ATOM 770 CB ARG A 55 -12.579 1.976 14.486 1.00 0.00 C ATOM 771 CG ARG A 55 -12.536 3.246 15.338 1.00 0.00 C ATOM 772 CD ARG A 55 -13.948 3.706 15.707 1.00 0.00 C ATOM 773 NE ARG A 55 -14.634 2.656 16.492 1.00 0.00 N ATOM 774 CZ ARG A 55 -15.342 1.655 15.950 1.00 0.00 C ATOM 775 NH1 ARG A 55 -15.461 1.563 14.619 1.00 0.00 N ATOM 776 NH2 ARG A 55 -15.931 0.747 16.741 1.00 0.00 N ATOM 0 H ARG A 55 -11.463 2.008 12.268 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.472 1.961 14.897 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.047 2.193 13.526 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.195 1.224 14.978 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.961 3.060 16.245 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.023 4.038 14.792 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.899 4.629 16.284 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.516 3.925 14.803 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.564 2.696 17.509 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.013 2.255 14.018 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.000 0.801 14.207 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.840 0.818 17.754 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.470 -0.015 16.329 1.00 0.00 H new ATOM 790 N THR A 56 -11.080 -0.891 13.586 1.00 0.00 N ATOM 791 CA THR A 56 -11.054 -2.331 13.778 1.00 0.00 C ATOM 792 C THR A 56 -9.619 -2.814 13.999 1.00 0.00 C ATOM 793 O THR A 56 -9.397 -3.844 14.633 1.00 0.00 O ATOM 794 CB THR A 56 -11.735 -2.982 12.573 1.00 0.00 C ATOM 795 OG1 THR A 56 -10.941 -2.572 11.462 1.00 0.00 O ATOM 796 CG2 THR A 56 -13.114 -2.385 12.286 1.00 0.00 C ATOM 0 H THR A 56 -11.039 -0.590 12.612 1.00 0.00 H new ATOM 0 HA THR A 56 -11.603 -2.620 14.674 1.00 0.00 H new ATOM 0 HB THR A 56 -11.833 -4.054 12.747 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.311 -2.951 10.638 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.553 -2.883 11.421 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.759 -2.527 13.153 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.013 -1.320 12.079 1.00 0.00 H new ATOM 804 N GLY A 57 -8.681 -2.046 13.464 1.00 0.00 N ATOM 805 CA GLY A 57 -7.274 -2.382 13.595 1.00 0.00 C ATOM 806 C GLY A 57 -6.438 -1.668 12.530 1.00 0.00 C ATOM 807 O GLY A 57 -6.428 -0.440 12.464 1.00 0.00 O ATOM 0 H GLY A 57 -8.868 -1.192 12.939 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.921 -2.103 14.588 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.144 -3.460 13.502 1.00 0.00 H new ATOM 811 N SER A 58 -5.758 -2.469 11.723 1.00 0.00 N ATOM 812 CA SER A 58 -4.922 -1.930 10.664 1.00 0.00 C ATOM 813 C SER A 58 -4.677 -2.997 9.596 1.00 0.00 C ATOM 814 O SER A 58 -4.823 -4.190 9.860 1.00 0.00 O ATOM 815 CB SER A 58 -3.590 -1.420 11.220 1.00 0.00 C ATOM 816 OG SER A 58 -2.892 -2.429 11.944 1.00 0.00 O ATOM 0 H SER A 58 -5.769 -3.487 11.781 1.00 0.00 H new ATOM 0 HA SER A 58 -5.444 -1.086 10.212 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.966 -1.066 10.399 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.773 -0.566 11.873 1.00 0.00 H new ATOM 0 HG SER A 58 -2.047 -2.065 12.281 1.00 0.00 H new ATOM 822 N VAL A 59 -4.308 -2.530 8.412 1.00 0.00 N ATOM 823 CA VAL A 59 -4.042 -3.430 7.302 1.00 0.00 C ATOM 824 C VAL A 59 -2.763 -2.987 6.588 1.00 0.00 C ATOM 825 O VAL A 59 -2.241 -1.907 6.856 1.00 0.00 O ATOM 826 CB VAL A 59 -5.256 -3.489 6.373 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.361 -4.363 6.969 1.00 0.00 C ATOM 828 CG2 VAL A 59 -5.776 -2.084 6.061 1.00 0.00 C ATOM 0 H VAL A 59 -4.187 -1.540 8.197 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.878 -4.445 7.664 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.938 -3.945 5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.212 -4.388 6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.985 -5.375 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.675 -3.950 7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.639 -2.154 5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.069 -1.590 6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.991 -1.505 5.574 1.00 0.00 H new ATOM 838 N GLU A 60 -2.296 -3.846 5.694 1.00 0.00 N ATOM 839 CA GLU A 60 -1.088 -3.557 4.939 1.00 0.00 C ATOM 840 C GLU A 60 -1.118 -4.281 3.592 1.00 0.00 C ATOM 841 O GLU A 60 -1.817 -5.281 3.436 1.00 0.00 O ATOM 842 CB GLU A 60 0.161 -3.935 5.738 1.00 0.00 C ATOM 843 CG GLU A 60 0.529 -2.834 6.734 1.00 0.00 C ATOM 844 CD GLU A 60 1.795 -3.199 7.512 1.00 0.00 C ATOM 845 OE1 GLU A 60 1.685 -4.074 8.397 1.00 0.00 O ATOM 846 OE2 GLU A 60 2.845 -2.595 7.203 1.00 0.00 O ATOM 0 H GLU A 60 -2.732 -4.742 5.475 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.048 -2.484 4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.013 -4.869 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.994 -4.107 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.682 -1.895 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.296 -2.676 7.429 1.00 0.00 H new ATOM 853 N ALA A 61 -0.351 -3.748 2.652 1.00 0.00 N ATOM 854 CA ALA A 61 -0.280 -4.331 1.323 1.00 0.00 C ATOM 855 C ALA A 61 0.838 -3.652 0.531 1.00 0.00 C ATOM 856 O ALA A 61 1.092 -2.461 0.706 1.00 0.00 O ATOM 857 CB ALA A 61 -1.642 -4.203 0.637 1.00 0.00 C ATOM 0 H ALA A 61 0.227 -2.918 2.785 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.042 -5.393 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.590 -4.640 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.396 -4.728 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.912 -3.150 0.558 1.00 0.00 H new ATOM 863 N GLN A 62 1.477 -4.438 -0.323 1.00 0.00 N ATOM 864 CA GLN A 62 2.562 -3.926 -1.143 1.00 0.00 C ATOM 865 C GLN A 62 2.468 -4.492 -2.561 1.00 0.00 C ATOM 866 O GLN A 62 1.627 -5.346 -2.838 1.00 0.00 O ATOM 867 CB GLN A 62 3.920 -4.245 -0.515 1.00 0.00 C ATOM 868 CG GLN A 62 4.029 -3.648 0.890 1.00 0.00 C ATOM 869 CD GLN A 62 4.613 -4.664 1.874 1.00 0.00 C ATOM 870 OE1 GLN A 62 3.721 -5.173 2.719 1.00 0.00 O flip ATOM 871 NE2 GLN A 62 5.795 -4.965 1.865 1.00 0.00 N flip ATOM 0 H GLN A 62 1.264 -5.425 -0.465 1.00 0.00 H new ATOM 0 HA GLN A 62 2.469 -2.841 -1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.057 -5.325 -0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.717 -3.850 -1.145 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.659 -2.759 0.863 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.044 -3.331 1.232 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.426 -4.535 1.188 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.153 -5.646 2.534 1.00 0.00 H new ATOM 880 N THR A 63 3.342 -3.992 -3.423 1.00 0.00 N ATOM 881 CA THR A 63 3.368 -4.437 -4.806 1.00 0.00 C ATOM 882 C THR A 63 4.583 -5.332 -5.056 1.00 0.00 C ATOM 883 O THR A 63 5.372 -5.583 -4.145 1.00 0.00 O ATOM 884 CB THR A 63 3.332 -3.197 -5.702 1.00 0.00 C ATOM 885 OG1 THR A 63 4.463 -2.436 -5.286 1.00 0.00 O ATOM 886 CG2 THR A 63 2.139 -2.289 -5.397 1.00 0.00 C ATOM 0 H THR A 63 4.037 -3.283 -3.190 1.00 0.00 H new ATOM 0 HA THR A 63 2.498 -5.051 -5.040 1.00 0.00 H new ATOM 0 HB THR A 63 3.296 -3.505 -6.747 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.065 -2.302 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.161 -1.424 -6.060 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.212 -2.842 -5.552 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.193 -1.953 -4.361 1.00 0.00 H new ATOM 894 N ALA A 64 4.697 -5.789 -6.294 1.00 0.00 N ATOM 895 CA ALA A 64 5.803 -6.651 -6.675 1.00 0.00 C ATOM 896 C ALA A 64 7.079 -5.814 -6.793 1.00 0.00 C ATOM 897 O ALA A 64 7.060 -4.724 -7.363 1.00 0.00 O ATOM 898 CB ALA A 64 5.460 -7.377 -7.977 1.00 0.00 C ATOM 0 H ALA A 64 4.041 -5.579 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 64 5.976 -7.412 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.290 -8.024 -8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.564 -7.980 -7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.282 -6.646 -8.765 1.00 0.00 H new ATOM 904 N LEU A 65 8.156 -6.356 -6.244 1.00 0.00 N ATOM 905 CA LEU A 65 9.438 -5.673 -6.280 1.00 0.00 C ATOM 906 C LEU A 65 9.740 -5.241 -7.717 1.00 0.00 C ATOM 907 O LEU A 65 9.342 -5.912 -8.667 1.00 0.00 O ATOM 908 CB LEU A 65 10.529 -6.548 -5.659 1.00 0.00 C ATOM 909 CG LEU A 65 10.789 -6.336 -4.166 1.00 0.00 C ATOM 910 CD1 LEU A 65 11.422 -4.967 -3.909 1.00 0.00 C ATOM 911 CD2 LEU A 65 9.509 -6.537 -3.353 1.00 0.00 C ATOM 0 H LEU A 65 8.167 -7.260 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 65 9.405 -4.767 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.262 -7.593 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.460 -6.372 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 65 11.504 -7.089 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.596 -4.842 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.370 -4.899 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.751 -4.184 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.721 -6.381 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.754 -5.823 -3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.138 -7.551 -3.503 1.00 0.00 H new ATOM 923 N LYS A 66 10.442 -4.122 -7.829 1.00 0.00 N ATOM 924 CA LYS A 66 10.802 -3.593 -9.133 1.00 0.00 C ATOM 925 C LYS A 66 12.239 -3.070 -9.087 1.00 0.00 C ATOM 926 O LYS A 66 12.646 -2.447 -8.108 1.00 0.00 O ATOM 927 CB LYS A 66 9.781 -2.548 -9.588 1.00 0.00 C ATOM 928 CG LYS A 66 8.556 -3.215 -10.216 1.00 0.00 C ATOM 929 CD LYS A 66 8.548 -3.027 -11.734 1.00 0.00 C ATOM 930 CE LYS A 66 7.216 -3.482 -12.336 1.00 0.00 C ATOM 931 NZ LYS A 66 6.991 -2.831 -13.646 1.00 0.00 N ATOM 0 H LYS A 66 10.771 -3.568 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 66 10.773 -4.381 -9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.473 -1.941 -8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.242 -1.874 -10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.554 -4.279 -9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.647 -2.791 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.721 -1.978 -11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.365 -3.595 -12.179 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.216 -4.565 -12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.400 -3.237 -11.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.455 -3.472 -14.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.452 -1.952 -13.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.907 -2.611 -14.086 1.00 0.00 H new ATOM 945 N LYS A 67 12.969 -3.342 -10.159 1.00 0.00 N ATOM 946 CA LYS A 67 14.352 -2.907 -10.254 1.00 0.00 C ATOM 947 C LYS A 67 14.408 -1.381 -10.167 1.00 0.00 C ATOM 948 O LYS A 67 13.868 -0.686 -11.026 1.00 0.00 O ATOM 949 CB LYS A 67 15.008 -3.476 -11.513 1.00 0.00 C ATOM 950 CG LYS A 67 16.197 -2.617 -11.948 1.00 0.00 C ATOM 951 CD LYS A 67 17.386 -3.492 -12.352 1.00 0.00 C ATOM 952 CE LYS A 67 17.058 -4.322 -13.595 1.00 0.00 C ATOM 953 NZ LYS A 67 18.028 -5.429 -13.749 1.00 0.00 N ATOM 0 H LYS A 67 12.628 -3.859 -10.970 1.00 0.00 H new ATOM 0 HA LYS A 67 14.932 -3.296 -9.418 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.342 -4.496 -11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.276 -3.524 -12.319 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.906 -1.984 -12.786 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.489 -1.954 -11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.255 -2.863 -12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.652 -4.154 -11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.048 -4.724 -13.515 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.079 -3.686 -14.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.791 -5.982 -14.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.987 -5.039 -13.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.988 -6.045 -12.912 1.00 0.00 H new ATOM 967 N ARG A 68 15.068 -0.903 -9.121 1.00 0.00 N ATOM 968 CA ARG A 68 15.202 0.528 -8.911 1.00 0.00 C ATOM 969 C ARG A 68 15.410 1.244 -10.247 1.00 0.00 C ATOM 970 O ARG A 68 16.272 0.858 -11.034 1.00 0.00 O ATOM 971 CB ARG A 68 16.379 0.840 -7.984 1.00 0.00 C ATOM 972 CG ARG A 68 16.295 2.274 -7.455 1.00 0.00 C ATOM 973 CD ARG A 68 15.670 2.307 -6.059 1.00 0.00 C ATOM 974 NE ARG A 68 15.794 3.664 -5.481 1.00 0.00 N ATOM 975 CZ ARG A 68 15.525 3.964 -4.203 1.00 0.00 C ATOM 976 NH1 ARG A 68 15.117 3.004 -3.362 1.00 0.00 N ATOM 977 NH2 ARG A 68 15.665 5.223 -3.767 1.00 0.00 N ATOM 0 H ARG A 68 15.515 -1.482 -8.410 1.00 0.00 H new ATOM 0 HA ARG A 68 14.283 0.882 -8.445 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.384 0.140 -7.148 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.317 0.701 -8.522 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.293 2.712 -7.421 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.702 2.883 -8.137 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.620 2.021 -6.115 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.164 1.581 -5.413 1.00 0.00 H new ATOM 0 HE ARG A 68 16.104 4.418 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.011 2.046 -3.695 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.912 3.232 -2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.976 5.953 -4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.460 5.452 -2.794 1.00 0.00 H new ATOM 991 N GLN A 69 14.604 2.273 -10.462 1.00 0.00 N ATOM 992 CA GLN A 69 14.688 3.047 -11.689 1.00 0.00 C ATOM 993 C GLN A 69 14.382 4.520 -11.410 1.00 0.00 C ATOM 994 O GLN A 69 13.862 4.859 -10.349 1.00 0.00 O ATOM 995 CB GLN A 69 13.749 2.484 -12.757 1.00 0.00 C ATOM 996 CG GLN A 69 14.384 1.289 -13.471 1.00 0.00 C ATOM 997 CD GLN A 69 15.667 1.702 -14.196 1.00 0.00 C ATOM 998 OE1 GLN A 69 15.729 2.714 -14.874 1.00 0.00 O ATOM 999 NE2 GLN A 69 16.684 0.864 -14.017 1.00 0.00 N ATOM 0 H GLN A 69 13.889 2.589 -9.807 1.00 0.00 H new ATOM 0 HA GLN A 69 15.706 2.975 -12.072 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.809 2.179 -12.296 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.511 3.261 -13.483 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.607 0.505 -12.747 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.676 0.870 -14.187 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.565 0.034 -13.436 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.583 1.051 -14.460 1.00 0.00 H new ATOM 1008 N LEU A 70 14.717 5.355 -12.383 1.00 0.00 N ATOM 1009 CA LEU A 70 14.484 6.783 -12.256 1.00 0.00 C ATOM 1010 C LEU A 70 12.979 7.045 -12.170 1.00 0.00 C ATOM 1011 O LEU A 70 12.553 8.077 -11.654 1.00 0.00 O ATOM 1012 CB LEU A 70 15.177 7.542 -13.390 1.00 0.00 C ATOM 1013 CG LEU A 70 16.096 8.689 -12.966 1.00 0.00 C ATOM 1014 CD1 LEU A 70 15.364 9.665 -12.042 1.00 0.00 C ATOM 1015 CD2 LEU A 70 17.383 8.156 -12.333 1.00 0.00 C ATOM 0 H LEU A 70 15.148 5.070 -13.262 1.00 0.00 H new ATOM 0 HA LEU A 70 14.926 7.160 -11.334 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.762 6.830 -13.972 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.411 7.943 -14.053 1.00 0.00 H new ATOM 0 HG LEU A 70 16.383 9.244 -13.859 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.040 10.471 -11.755 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.502 10.082 -12.563 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.028 9.138 -11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.018 8.992 -12.041 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.137 7.562 -11.453 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.912 7.533 -13.054 1.00 0.00 H new ATOM 1027 N HIS A 71 12.215 6.092 -12.684 1.00 0.00 N ATOM 1028 CA HIS A 71 10.767 6.206 -12.672 1.00 0.00 C ATOM 1029 C HIS A 71 10.141 4.813 -12.767 1.00 0.00 C ATOM 1030 O HIS A 71 9.674 4.410 -13.831 1.00 0.00 O ATOM 1031 CB HIS A 71 10.287 7.148 -13.778 1.00 0.00 C ATOM 1032 CG HIS A 71 8.840 7.560 -13.650 1.00 0.00 C ATOM 1033 ND1 HIS A 71 8.148 8.196 -14.666 1.00 0.00 N ATOM 1034 CD2 HIS A 71 7.962 7.418 -12.616 1.00 0.00 C ATOM 1035 CE1 HIS A 71 6.911 8.424 -14.250 1.00 0.00 C ATOM 1036 NE2 HIS A 71 6.797 7.941 -12.980 1.00 0.00 N ATOM 0 H HIS A 71 12.572 5.237 -13.111 1.00 0.00 H new ATOM 0 HA HIS A 71 10.442 6.649 -11.731 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.910 8.042 -13.775 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.432 6.662 -14.743 1.00 0.00 H new ATOM 0 HD1 HIS A 71 8.526 8.447 -15.580 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.178 6.958 -11.663 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.130 8.908 -14.817 1.00 0.00 H new ATOM 1044 N THR A 72 10.153 4.116 -11.640 1.00 0.00 N ATOM 1045 CA THR A 72 9.592 2.777 -11.583 1.00 0.00 C ATOM 1046 C THR A 72 8.066 2.833 -11.668 1.00 0.00 C ATOM 1047 O THR A 72 7.456 3.832 -11.289 1.00 0.00 O ATOM 1048 CB THR A 72 10.106 2.104 -10.309 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.519 2.058 -10.485 1.00 0.00 O ATOM 1050 CG2 THR A 72 9.694 0.633 -10.216 1.00 0.00 C ATOM 0 H THR A 72 10.542 4.453 -10.760 1.00 0.00 H new ATOM 0 HA THR A 72 9.911 2.178 -12.436 1.00 0.00 H new ATOM 0 HB THR A 72 9.730 2.642 -9.439 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.933 1.637 -9.702 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.084 0.203 -9.293 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.607 0.559 -10.219 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.097 0.088 -11.069 1.00 0.00 H new ATOM 1058 N THR A 73 7.492 1.749 -12.167 1.00 0.00 N ATOM 1059 CA THR A 73 6.048 1.662 -12.307 1.00 0.00 C ATOM 1060 C THR A 73 5.576 0.225 -12.078 1.00 0.00 C ATOM 1061 O THR A 73 6.261 -0.725 -12.454 1.00 0.00 O ATOM 1062 CB THR A 73 5.672 2.214 -13.683 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.571 1.562 -14.576 1.00 0.00 O ATOM 1064 CG2 THR A 73 6.012 3.699 -13.831 1.00 0.00 C ATOM 0 H THR A 73 8.001 0.922 -12.480 1.00 0.00 H new ATOM 0 HA THR A 73 5.540 2.262 -11.551 1.00 0.00 H new ATOM 0 HB THR A 73 4.606 2.067 -13.854 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.396 1.861 -15.493 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.725 4.041 -14.825 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.470 4.273 -13.080 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.084 3.842 -13.693 1.00 0.00 H new ATOM 1072 N TRP A 74 4.408 0.111 -11.463 1.00 0.00 N ATOM 1073 CA TRP A 74 3.836 -1.194 -11.180 1.00 0.00 C ATOM 1074 C TRP A 74 2.566 -1.346 -12.021 1.00 0.00 C ATOM 1075 O TRP A 74 1.917 -0.357 -12.356 1.00 0.00 O ATOM 1076 CB TRP A 74 3.585 -1.370 -9.682 1.00 0.00 C ATOM 1077 CG TRP A 74 4.861 -1.460 -8.843 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.509 -2.563 -8.443 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.623 -0.354 -8.314 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.628 -2.250 -7.699 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.699 -0.864 -7.618 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.409 1.031 -8.421 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.647 -0.059 -6.974 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.364 1.822 -7.773 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.454 1.325 -7.067 1.00 0.00 C ATOM 0 H TRP A 74 3.842 0.901 -11.153 1.00 0.00 H new ATOM 0 HA TRP A 74 4.532 -1.987 -11.453 1.00 0.00 H new ATOM 0 HB2 TRP A 74 2.985 -0.533 -9.324 1.00 0.00 H new ATOM 0 HB3 TRP A 74 2.996 -2.274 -9.527 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.195 -3.570 -8.674 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.283 -2.913 -7.285 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.573 1.451 -8.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.482 -0.483 -6.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.246 2.894 -7.825 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.148 2.003 -6.593 1.00 0.00 H new ATOM 1096 N GLU A 75 2.250 -2.593 -12.338 1.00 0.00 N ATOM 1097 CA GLU A 75 1.070 -2.888 -13.133 1.00 0.00 C ATOM 1098 C GLU A 75 -0.081 -3.332 -12.229 1.00 0.00 C ATOM 1099 O GLU A 75 -0.991 -4.029 -12.675 1.00 0.00 O ATOM 1100 CB GLU A 75 1.374 -3.947 -14.195 1.00 0.00 C ATOM 1101 CG GLU A 75 0.630 -3.647 -15.497 1.00 0.00 C ATOM 1102 CD GLU A 75 1.059 -4.608 -16.608 1.00 0.00 C ATOM 1103 OE1 GLU A 75 2.111 -4.331 -17.223 1.00 0.00 O ATOM 1104 OE2 GLU A 75 0.325 -5.598 -16.815 1.00 0.00 O ATOM 0 H GLU A 75 2.791 -3.411 -12.058 1.00 0.00 H new ATOM 0 HA GLU A 75 0.769 -1.978 -13.652 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.447 -3.980 -14.384 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.085 -4.931 -13.826 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.444 -3.731 -15.334 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.827 -2.620 -15.804 1.00 0.00 H new ATOM 1111 N GLU A 76 -0.004 -2.910 -10.976 1.00 0.00 N ATOM 1112 CA GLU A 76 -1.029 -3.256 -10.005 1.00 0.00 C ATOM 1113 C GLU A 76 -1.132 -2.170 -8.932 1.00 0.00 C ATOM 1114 O GLU A 76 -0.458 -1.145 -9.015 1.00 0.00 O ATOM 1115 CB GLU A 76 -0.750 -4.623 -9.377 1.00 0.00 C ATOM 1116 CG GLU A 76 0.385 -4.535 -8.355 1.00 0.00 C ATOM 1117 CD GLU A 76 0.884 -5.929 -7.968 1.00 0.00 C ATOM 1118 OE1 GLU A 76 1.262 -6.674 -8.898 1.00 0.00 O ATOM 1119 OE2 GLU A 76 0.876 -6.218 -6.752 1.00 0.00 O ATOM 0 H GLU A 76 0.752 -2.332 -10.610 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.986 -3.319 -10.523 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.652 -4.996 -8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.488 -5.339 -10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.208 -3.952 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.038 -4.009 -7.465 1.00 0.00 H new ATOM 1126 N GLY A 77 -1.982 -2.432 -7.950 1.00 0.00 N ATOM 1127 CA GLY A 77 -2.182 -1.490 -6.862 1.00 0.00 C ATOM 1128 C GLY A 77 -2.452 -2.222 -5.546 1.00 0.00 C ATOM 1129 O GLY A 77 -2.752 -3.415 -5.545 1.00 0.00 O ATOM 0 H GLY A 77 -2.540 -3.283 -7.885 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.300 -0.858 -6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.019 -0.832 -7.095 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.334 -1.477 -4.457 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.562 -2.039 -3.136 1.00 0.00 C ATOM 1135 C LEU A 78 -4.067 -2.149 -2.886 1.00 0.00 C ATOM 1136 O LEU A 78 -4.868 -1.615 -3.652 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.819 -1.228 -2.073 1.00 0.00 C ATOM 1138 CG LEU A 78 -0.312 -1.065 -2.285 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.339 -0.377 -1.084 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.346 -2.409 -2.603 1.00 0.00 C ATOM 0 H LEU A 78 -2.083 -0.488 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.154 -3.048 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.268 -0.236 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.980 -1.701 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.156 -0.419 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.410 -0.273 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.103 0.610 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.175 -0.976 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.416 -2.265 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.183 -3.099 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.092 -2.822 -3.512 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.407 -2.844 -1.810 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.802 -3.030 -1.449 1.00 0.00 C ATOM 1154 C VAL A 79 -5.911 -3.222 0.065 1.00 0.00 C ATOM 1155 O VAL A 79 -5.509 -4.257 0.594 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.397 -4.195 -2.243 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -7.908 -4.291 -2.026 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -6.064 -4.070 -3.732 1.00 0.00 C ATOM 0 H VAL A 79 -3.740 -3.285 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.385 -2.146 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.946 -5.117 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.306 -5.127 -2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.114 -4.448 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.382 -3.366 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.498 -4.910 -4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.474 -3.137 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.982 -4.073 -3.864 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.457 -2.208 0.720 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.624 -2.251 2.162 1.00 0.00 C ATOM 1170 C LEU A 80 -8.116 -2.303 2.497 1.00 0.00 C ATOM 1171 O LEU A 80 -8.896 -1.495 1.997 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.885 -1.085 2.823 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.361 -1.202 2.879 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -3.917 -2.660 2.738 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.703 -0.299 1.834 1.00 0.00 C ATOM 0 H LEU A 80 -6.790 -1.351 0.278 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.173 -3.156 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.140 -0.170 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.259 -0.974 3.841 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.028 -0.857 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.829 -2.715 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.343 -3.250 3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.263 -3.055 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.620 -0.401 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.039 -0.589 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.981 0.738 2.023 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.476 -3.287 3.364 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.861 -3.455 3.772 1.00 0.00 C ATOM 1189 C PRO A 81 -10.272 -2.375 4.774 1.00 0.00 C ATOM 1190 O PRO A 81 -9.653 -2.230 5.826 1.00 0.00 O ATOM 1191 CB PRO A 81 -9.933 -4.859 4.349 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.501 -5.253 4.670 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.579 -4.263 3.977 1.00 0.00 C ATOM 0 HA PRO A 81 -10.560 -3.343 2.944 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.554 -4.882 5.244 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.378 -5.552 3.635 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.334 -5.241 5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.298 -6.268 4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.903 -3.788 4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.959 -4.756 3.228 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.316 -1.643 4.411 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.817 -0.579 5.265 1.00 0.00 C ATOM 1203 C LEU A 82 -13.320 -0.411 5.032 1.00 0.00 C ATOM 1204 O LEU A 82 -13.816 -0.672 3.937 1.00 0.00 O ATOM 1205 CB LEU A 82 -11.014 0.705 5.049 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.640 1.988 5.599 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -11.402 2.112 7.106 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -11.136 3.215 4.837 1.00 0.00 C ATOM 0 H LEU A 82 -11.828 -1.766 3.538 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.683 -0.838 6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.033 0.578 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.852 0.833 3.979 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.718 1.934 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.857 3.032 7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.849 1.259 7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.330 2.133 7.305 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.597 4.113 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.053 3.285 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.399 3.122 3.783 1.00 0.00 H new ATOM 1220 N ALA A 83 -14.003 0.025 6.080 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.439 0.232 6.004 1.00 0.00 C ATOM 1222 C ALA A 83 -15.722 1.697 5.665 1.00 0.00 C ATOM 1223 O ALA A 83 -15.090 2.598 6.214 1.00 0.00 O ATOM 1224 CB ALA A 83 -16.088 -0.197 7.322 1.00 0.00 C ATOM 0 H ALA A 83 -13.588 0.241 6.987 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.873 -0.379 5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.165 -0.042 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.883 -1.252 7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.679 0.397 8.139 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.673 1.889 4.762 1.00 0.00 N ATOM 1231 CA GLU A 84 -17.047 3.229 4.343 1.00 0.00 C ATOM 1232 C GLU A 84 -17.413 4.083 5.559 1.00 0.00 C ATOM 1233 O GLU A 84 -17.399 5.310 5.488 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.198 3.188 3.336 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.330 4.522 2.599 1.00 0.00 C ATOM 1236 CD GLU A 84 -19.792 4.818 2.258 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.572 5.002 3.217 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.096 4.853 1.047 1.00 0.00 O ATOM 0 H GLU A 84 -17.195 1.139 4.309 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.190 3.685 3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -18.028 2.387 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.130 2.960 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.927 5.324 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.738 4.496 1.684 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.733 3.398 6.648 1.00 0.00 N ATOM 1246 CA GLU A 85 -18.103 4.078 7.878 1.00 0.00 C ATOM 1247 C GLU A 85 -16.851 4.461 8.669 1.00 0.00 C ATOM 1248 O GLU A 85 -16.934 5.201 9.649 1.00 0.00 O ATOM 1249 CB GLU A 85 -19.042 3.213 8.721 1.00 0.00 C ATOM 1250 CG GLU A 85 -18.385 1.878 9.078 1.00 0.00 C ATOM 1251 CD GLU A 85 -19.009 1.281 10.341 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -19.198 2.057 11.302 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -19.282 0.061 10.317 1.00 0.00 O ATOM 0 H GLU A 85 -17.744 2.380 6.704 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.639 4.991 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.312 3.745 9.633 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.966 3.032 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -18.496 1.180 8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.316 2.024 9.230 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.720 3.941 8.215 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.453 4.219 8.869 1.00 0.00 C ATOM 1262 C GLU A 86 -13.560 5.065 7.958 1.00 0.00 C ATOM 1263 O GLU A 86 -12.481 5.492 8.363 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.750 2.923 9.276 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.692 2.012 10.065 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.987 1.421 11.287 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -12.737 1.438 11.285 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -14.714 0.965 12.196 1.00 0.00 O ATOM 0 H GLU A 86 -15.655 3.329 7.402 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.652 4.786 9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.396 2.402 8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.873 3.155 9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.568 2.577 10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.049 1.207 9.422 1.00 0.00 H new ATOM 1275 N LEU A 87 -14.045 5.281 6.743 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.304 6.068 5.772 1.00 0.00 C ATOM 1277 C LEU A 87 -12.714 7.299 6.462 1.00 0.00 C ATOM 1278 O LEU A 87 -11.520 7.569 6.343 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.188 6.402 4.568 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.197 5.372 3.436 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.369 5.615 2.484 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.855 5.354 2.701 1.00 0.00 C ATOM 0 H LEU A 87 -14.941 4.925 6.410 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.467 5.494 5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.211 6.535 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.864 7.359 4.159 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.337 4.384 3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.352 4.870 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.307 5.538 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.284 6.611 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.888 4.614 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.660 6.339 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.060 5.097 3.401 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.601 8.032 7.187 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.180 9.228 7.897 1.00 0.00 C ATOM 1296 C PRO A 88 -12.392 8.868 9.158 1.00 0.00 C ATOM 1297 O PRO A 88 -11.571 9.656 9.627 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.466 9.982 8.194 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.587 8.965 8.055 1.00 0.00 C ATOM 1300 CD PRO A 88 -15.022 7.742 7.351 1.00 0.00 C ATOM 0 HA PRO A 88 -12.498 9.846 7.313 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.447 10.407 9.197 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.602 10.811 7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.980 8.694 9.035 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.415 9.385 7.484 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.176 6.839 7.941 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.507 7.580 6.388 1.00 0.00 H new ATOM 1308 N THR A 89 -12.670 7.679 9.672 1.00 0.00 N ATOM 1309 CA THR A 89 -11.997 7.206 10.870 1.00 0.00 C ATOM 1310 C THR A 89 -10.848 6.265 10.500 1.00 0.00 C ATOM 1311 O THR A 89 -10.481 5.391 11.284 1.00 0.00 O ATOM 1312 CB THR A 89 -13.046 6.557 11.776 1.00 0.00 C ATOM 1313 OG1 THR A 89 -13.169 5.231 11.270 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.439 7.161 11.584 1.00 0.00 C ATOM 0 H THR A 89 -13.352 7.029 9.281 1.00 0.00 H new ATOM 0 HA THR A 89 -11.538 8.029 11.417 1.00 0.00 H new ATOM 0 HB THR A 89 -12.744 6.666 12.818 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.926 4.784 11.704 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.145 6.665 12.250 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.409 8.226 11.815 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.756 7.023 10.550 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.314 6.476 9.307 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.214 5.658 8.824 1.00 0.00 C ATOM 1324 C ALA A 90 -8.244 6.534 8.027 1.00 0.00 C ATOM 1325 O ALA A 90 -8.648 7.534 7.436 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.767 4.498 7.995 1.00 0.00 C ATOM 0 H ALA A 90 -10.622 7.202 8.660 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.660 5.228 9.658 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.942 3.884 7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.427 3.890 8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.327 4.892 7.146 1.00 0.00 H new ATOM 1332 N THR A 91 -6.984 6.125 8.038 1.00 0.00 N ATOM 1333 CA THR A 91 -5.954 6.860 7.324 1.00 0.00 C ATOM 1334 C THR A 91 -4.979 5.892 6.650 1.00 0.00 C ATOM 1335 O THR A 91 -4.542 4.919 7.263 1.00 0.00 O ATOM 1336 CB THR A 91 -5.279 7.811 8.314 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.328 8.192 9.199 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.846 9.125 7.661 1.00 0.00 C ATOM 0 H THR A 91 -6.653 5.295 8.530 1.00 0.00 H new ATOM 0 HA THR A 91 -6.381 7.457 6.518 1.00 0.00 H new ATOM 0 HB THR A 91 -4.410 7.321 8.754 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.978 8.808 9.876 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.373 9.763 8.407 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.137 8.917 6.859 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.719 9.632 7.251 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.666 6.193 5.398 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.751 5.362 4.635 1.00 0.00 C ATOM 1348 C LEU A 92 -2.362 6.003 4.639 1.00 0.00 C ATOM 1349 O LEU A 92 -2.237 7.223 4.535 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.305 5.104 3.232 1.00 0.00 C ATOM 1351 CG LEU A 92 -3.291 4.631 2.187 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -2.347 5.766 1.788 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -2.531 3.398 2.679 1.00 0.00 C ATOM 0 H LEU A 92 -5.030 7.001 4.893 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.651 4.381 5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.095 4.357 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.768 6.023 2.871 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.836 4.335 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.637 5.404 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.925 6.589 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.806 6.115 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.817 3.083 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.998 3.642 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.236 2.589 2.873 1.00 0.00 H new ATOM 1365 N THR A 93 -1.353 5.153 4.760 1.00 0.00 N ATOM 1366 CA THR A 93 0.022 5.622 4.779 1.00 0.00 C ATOM 1367 C THR A 93 0.873 4.819 3.794 1.00 0.00 C ATOM 1368 O THR A 93 0.892 3.590 3.843 1.00 0.00 O ATOM 1369 CB THR A 93 0.528 5.546 6.221 1.00 0.00 C ATOM 1370 OG1 THR A 93 -0.185 6.580 6.894 1.00 0.00 O ATOM 1371 CG2 THR A 93 1.995 5.959 6.350 1.00 0.00 C ATOM 0 H THR A 93 -1.460 4.142 4.846 1.00 0.00 H new ATOM 0 HA THR A 93 0.090 6.659 4.449 1.00 0.00 H new ATOM 0 HB THR A 93 0.404 4.530 6.596 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.081 6.601 7.837 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.303 5.887 7.393 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.614 5.298 5.743 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.115 6.986 6.006 1.00 0.00 H new ATOM 1379 N LEU A 94 1.557 5.546 2.922 1.00 0.00 N ATOM 1380 CA LEU A 94 2.408 4.916 1.927 1.00 0.00 C ATOM 1381 C LEU A 94 3.847 4.875 2.444 1.00 0.00 C ATOM 1382 O LEU A 94 4.367 5.882 2.923 1.00 0.00 O ATOM 1383 CB LEU A 94 2.260 5.617 0.575 1.00 0.00 C ATOM 1384 CG LEU A 94 1.336 4.936 -0.437 1.00 0.00 C ATOM 1385 CD1 LEU A 94 0.019 4.516 0.220 1.00 0.00 C ATOM 1386 CD2 LEU A 94 1.108 5.828 -1.659 1.00 0.00 C ATOM 0 H LEU A 94 1.539 6.565 2.884 1.00 0.00 H new ATOM 0 HA LEU A 94 2.100 3.884 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.891 6.628 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.249 5.712 0.127 1.00 0.00 H new ATOM 0 HG LEU A 94 1.825 4.028 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.620 4.035 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.224 3.818 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.486 5.396 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.448 5.320 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.650 6.766 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.063 6.034 -2.142 1.00 0.00 H new ATOM 1398 N THR A 95 4.450 3.701 2.331 1.00 0.00 N ATOM 1399 CA THR A 95 5.819 3.516 2.782 1.00 0.00 C ATOM 1400 C THR A 95 6.654 2.845 1.689 1.00 0.00 C ATOM 1401 O THR A 95 6.238 1.840 1.114 1.00 0.00 O ATOM 1402 CB THR A 95 5.783 2.725 4.091 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.393 2.575 4.368 1.00 0.00 O ATOM 1404 CG2 THR A 95 6.313 3.532 5.277 1.00 0.00 C ATOM 0 H THR A 95 4.016 2.868 1.934 1.00 0.00 H new ATOM 0 HA THR A 95 6.304 4.472 2.977 1.00 0.00 H new ATOM 0 HB THR A 95 6.370 1.813 3.980 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.278 2.071 5.201 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.265 2.925 6.181 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.347 3.821 5.088 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.705 4.427 5.409 1.00 0.00 H new ATOM 1412 N LEU A 96 7.816 3.428 1.436 1.00 0.00 N ATOM 1413 CA LEU A 96 8.713 2.899 0.423 1.00 0.00 C ATOM 1414 C LEU A 96 9.923 2.256 1.104 1.00 0.00 C ATOM 1415 O LEU A 96 10.865 2.948 1.487 1.00 0.00 O ATOM 1416 CB LEU A 96 9.083 3.988 -0.587 1.00 0.00 C ATOM 1417 CG LEU A 96 10.178 3.626 -1.592 1.00 0.00 C ATOM 1418 CD1 LEU A 96 9.703 2.532 -2.550 1.00 0.00 C ATOM 1419 CD2 LEU A 96 10.669 4.868 -2.339 1.00 0.00 C ATOM 0 H LEU A 96 8.157 4.261 1.915 1.00 0.00 H new ATOM 0 HA LEU A 96 8.218 2.117 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.185 4.262 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.401 4.873 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 96 11.028 3.224 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.500 2.293 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.441 1.639 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.828 2.883 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.447 4.583 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.837 5.321 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.073 5.586 -1.625 1.00 0.00 H new ATOM 1431 N ARG A 97 9.857 0.939 1.235 1.00 0.00 N ATOM 1432 CA ARG A 97 10.935 0.195 1.864 1.00 0.00 C ATOM 1433 C ARG A 97 11.855 -0.408 0.800 1.00 0.00 C ATOM 1434 O ARG A 97 11.397 -0.802 -0.271 1.00 0.00 O ATOM 1435 CB ARG A 97 10.388 -0.926 2.749 1.00 0.00 C ATOM 1436 CG ARG A 97 10.128 -0.425 4.171 1.00 0.00 C ATOM 1437 CD ARG A 97 8.719 -0.798 4.636 1.00 0.00 C ATOM 1438 NE ARG A 97 8.629 -0.697 6.110 1.00 0.00 N ATOM 1439 CZ ARG A 97 7.683 -1.295 6.847 1.00 0.00 C ATOM 1440 NH1 ARG A 97 6.742 -2.042 6.253 1.00 0.00 N ATOM 1441 NH2 ARG A 97 7.679 -1.147 8.179 1.00 0.00 N ATOM 0 H ARG A 97 9.074 0.368 0.916 1.00 0.00 H new ATOM 0 HA ARG A 97 11.499 0.891 2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.463 -1.313 2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.098 -1.753 2.775 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.864 -0.853 4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.252 0.657 4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.987 -0.136 4.173 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.479 -1.812 4.317 1.00 0.00 H new ATOM 0 HE ARG A 97 9.331 -0.137 6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.746 -2.156 5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.022 -2.497 6.815 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.396 -0.579 8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.959 -1.602 8.741 1.00 0.00 H new ATOM 1455 N THR A 98 13.137 -0.460 1.133 1.00 0.00 N ATOM 1456 CA THR A 98 14.125 -1.008 0.219 1.00 0.00 C ATOM 1457 C THR A 98 14.520 -2.423 0.647 1.00 0.00 C ATOM 1458 O THR A 98 14.934 -2.638 1.785 1.00 0.00 O ATOM 1459 CB THR A 98 15.307 -0.038 0.164 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.558 0.282 1.529 1.00 0.00 O ATOM 1461 CG2 THR A 98 14.934 1.304 -0.470 1.00 0.00 C ATOM 0 H THR A 98 13.514 -0.132 2.022 1.00 0.00 H new ATOM 0 HA THR A 98 13.720 -1.108 -0.788 1.00 0.00 H new ATOM 0 HB THR A 98 16.122 -0.492 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 98 16.331 -0.229 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.808 1.955 -0.484 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.586 1.140 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.141 1.774 0.112 1.00 0.00 H new ATOM 1469 N CYS A 99 14.379 -3.351 -0.288 1.00 0.00 N ATOM 1470 CA CYS A 99 14.716 -4.739 -0.022 1.00 0.00 C ATOM 1471 C CYS A 99 16.232 -4.839 0.157 1.00 0.00 C ATOM 1472 O CYS A 99 16.972 -4.926 -0.822 1.00 0.00 O ATOM 1473 CB CYS A 99 14.210 -5.666 -1.129 1.00 0.00 C ATOM 1474 SG CYS A 99 14.096 -7.382 -0.505 1.00 0.00 S ATOM 0 H CYS A 99 14.036 -3.169 -1.231 1.00 0.00 H new ATOM 0 HA CYS A 99 14.220 -5.068 0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.233 -5.331 -1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 99 14.884 -5.626 -1.985 1.00 0.00 H new ATOM 0 HG CYS A 99 13.663 -8.160 -1.452 1.00 0.00 H new ATOM 1480 N ASP A 100 16.649 -4.824 1.414 1.00 0.00 N ATOM 1481 CA ASP A 100 18.064 -4.912 1.734 1.00 0.00 C ATOM 1482 C ASP A 100 18.300 -6.110 2.656 1.00 0.00 C ATOM 1483 O ASP A 100 17.352 -6.771 3.076 1.00 0.00 O ATOM 1484 CB ASP A 100 18.544 -3.654 2.461 1.00 0.00 C ATOM 1485 CG ASP A 100 18.795 -2.443 1.561 1.00 0.00 C ATOM 1486 OD1 ASP A 100 19.922 -2.356 1.027 1.00 0.00 O ATOM 1487 OD2 ASP A 100 17.854 -1.631 1.426 1.00 0.00 O ATOM 0 H ASP A 100 16.032 -4.752 2.223 1.00 0.00 H new ATOM 0 HA ASP A 100 18.615 -5.021 0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.803 -3.382 3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 100 19.466 -3.890 2.993 1.00 0.00 H new ATOM 1492 N ARG A 101 19.570 -6.352 2.945 1.00 0.00 N ATOM 1493 CA ARG A 101 19.943 -7.459 3.810 1.00 0.00 C ATOM 1494 C ARG A 101 19.058 -7.479 5.058 1.00 0.00 C ATOM 1495 O ARG A 101 18.452 -8.500 5.377 1.00 0.00 O ATOM 1496 CB ARG A 101 21.409 -7.357 4.234 1.00 0.00 C ATOM 1497 CG ARG A 101 21.887 -8.661 4.875 1.00 0.00 C ATOM 1498 CD ARG A 101 23.241 -9.089 4.306 1.00 0.00 C ATOM 1499 NE ARG A 101 23.137 -10.441 3.714 1.00 0.00 N ATOM 1500 CZ ARG A 101 22.707 -10.685 2.468 1.00 0.00 C ATOM 1501 NH1 ARG A 101 22.339 -9.669 1.676 1.00 0.00 N ATOM 1502 NH2 ARG A 101 22.646 -11.945 2.015 1.00 0.00 N ATOM 0 H ARG A 101 20.354 -5.801 2.596 1.00 0.00 H new ATOM 0 HA ARG A 101 19.803 -8.382 3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 101 22.027 -7.127 3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 101 21.531 -6.535 4.939 1.00 0.00 H new ATOM 0 HG2 ARG A 101 21.967 -8.532 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 101 21.151 -9.446 4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 101 23.568 -8.376 3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 101 23.994 -9.085 5.094 1.00 0.00 H new ATOM 0 HE ARG A 101 23.410 -11.237 4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 101 22.386 -8.710 2.021 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.012 -9.854 0.728 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.927 -12.718 2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.319 -12.131 1.067 1.00 0.00 H new ATOM 1516 N PHE A 102 19.012 -6.337 5.729 1.00 0.00 N ATOM 1517 CA PHE A 102 18.211 -6.211 6.935 1.00 0.00 C ATOM 1518 C PHE A 102 17.027 -5.269 6.711 1.00 0.00 C ATOM 1519 O PHE A 102 15.921 -5.533 7.181 1.00 0.00 O ATOM 1520 CB PHE A 102 19.120 -5.620 8.015 1.00 0.00 C ATOM 1521 CG PHE A 102 20.445 -6.364 8.189 1.00 0.00 C ATOM 1522 CD1 PHE A 102 20.464 -7.592 8.774 1.00 0.00 C ATOM 1523 CD2 PHE A 102 21.605 -5.798 7.760 1.00 0.00 C ATOM 1524 CE1 PHE A 102 21.694 -8.283 8.935 1.00 0.00 C ATOM 1525 CE2 PHE A 102 22.835 -6.489 7.922 1.00 0.00 C ATOM 1526 CZ PHE A 102 22.853 -7.717 8.506 1.00 0.00 C ATOM 0 H PHE A 102 19.516 -5.492 5.461 1.00 0.00 H new ATOM 0 HA PHE A 102 17.816 -7.185 7.223 1.00 0.00 H new ATOM 0 HB2 PHE A 102 19.329 -4.579 7.769 1.00 0.00 H new ATOM 0 HB3 PHE A 102 18.586 -5.622 8.965 1.00 0.00 H new ATOM 0 HD1 PHE A 102 19.543 -8.041 9.116 1.00 0.00 H new ATOM 0 HD2 PHE A 102 21.591 -4.823 7.296 1.00 0.00 H new ATOM 0 HE1 PHE A 102 21.709 -9.258 9.398 1.00 0.00 H new ATOM 0 HE2 PHE A 102 23.756 -6.039 7.581 1.00 0.00 H new ATOM 0 HZ PHE A 102 23.788 -8.243 8.629 1.00 0.00 H new ATOM 1536 N SER A 103 17.298 -4.189 5.992 1.00 0.00 N ATOM 1537 CA SER A 103 16.268 -3.207 5.699 1.00 0.00 C ATOM 1538 C SER A 103 15.865 -2.474 6.980 1.00 0.00 C ATOM 1539 O SER A 103 14.680 -2.252 7.226 1.00 0.00 O ATOM 1540 CB SER A 103 15.046 -3.865 5.057 1.00 0.00 C ATOM 1541 OG SER A 103 15.413 -4.892 4.140 1.00 0.00 O ATOM 0 H SER A 103 18.216 -3.973 5.604 1.00 0.00 H new ATOM 0 HA SER A 103 16.674 -2.487 4.988 1.00 0.00 H new ATOM 0 HB2 SER A 103 14.409 -4.285 5.836 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.458 -3.108 4.538 1.00 0.00 H new ATOM 0 HG SER A 103 14.661 -5.078 3.539 1.00 0.00 H new ATOM 1547 N ARG A 104 16.873 -2.119 7.764 1.00 0.00 N ATOM 1548 CA ARG A 104 16.638 -1.416 9.013 1.00 0.00 C ATOM 1549 C ARG A 104 16.389 0.070 8.748 1.00 0.00 C ATOM 1550 O ARG A 104 16.347 0.500 7.596 1.00 0.00 O ATOM 1551 CB ARG A 104 17.829 -1.566 9.962 1.00 0.00 C ATOM 1552 CG ARG A 104 19.086 -0.928 9.367 1.00 0.00 C ATOM 1553 CD ARG A 104 20.235 -0.936 10.378 1.00 0.00 C ATOM 1554 NE ARG A 104 21.422 -0.266 9.800 1.00 0.00 N ATOM 1555 CZ ARG A 104 22.419 0.254 10.528 1.00 0.00 C ATOM 1556 NH1 ARG A 104 22.379 0.186 11.866 1.00 0.00 N ATOM 1557 NH2 ARG A 104 23.457 0.843 9.919 1.00 0.00 N ATOM 0 H ARG A 104 17.854 -2.305 7.558 1.00 0.00 H new ATOM 0 HA ARG A 104 15.758 -1.857 9.481 1.00 0.00 H new ATOM 0 HB2 ARG A 104 17.597 -1.099 10.919 1.00 0.00 H new ATOM 0 HB3 ARG A 104 18.011 -2.622 10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 104 19.383 -1.470 8.469 1.00 0.00 H new ATOM 0 HG3 ARG A 104 18.870 0.097 9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 104 19.929 -0.428 11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 104 20.483 -1.962 10.651 1.00 0.00 H new ATOM 0 HE ARG A 104 21.484 -0.196 8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 104 21.589 -0.262 12.330 1.00 0.00 H new ATOM 0 HH12 ARG A 104 23.139 0.582 12.420 1.00 0.00 H new ATOM 0 HH21 ARG A 104 23.488 0.896 8.901 1.00 0.00 H new ATOM 0 HH22 ARG A 104 24.216 1.239 10.474 1.00 0.00 H new ATOM 1571 N HIS A 105 16.231 0.814 9.833 1.00 0.00 N ATOM 1572 CA HIS A 105 15.988 2.243 9.732 1.00 0.00 C ATOM 1573 C HIS A 105 14.596 2.486 9.145 1.00 0.00 C ATOM 1574 O HIS A 105 13.878 1.540 8.828 1.00 0.00 O ATOM 1575 CB HIS A 105 17.098 2.927 8.930 1.00 0.00 C ATOM 1576 CG HIS A 105 17.974 3.841 9.752 1.00 0.00 C ATOM 1577 ND1 HIS A 105 19.211 4.284 9.318 1.00 0.00 N ATOM 1578 CD2 HIS A 105 17.780 4.391 10.985 1.00 0.00 C ATOM 1579 CE1 HIS A 105 19.730 5.064 10.255 1.00 0.00 C ATOM 1580 NE2 HIS A 105 18.841 5.129 11.288 1.00 0.00 N ATOM 0 H HIS A 105 16.267 0.454 10.787 1.00 0.00 H new ATOM 0 HA HIS A 105 16.009 2.691 10.726 1.00 0.00 H new ATOM 0 HB2 HIS A 105 17.722 2.162 8.467 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.647 3.503 8.122 1.00 0.00 H new ATOM 0 HD2 HIS A 105 16.910 4.250 11.609 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.688 5.561 10.209 1.00 0.00 H new ATOM 0 HE2 HIS A 105 18.970 5.657 12.151 1.00 0.00 H new ATOM 1588 N SER A 106 14.258 3.761 9.017 1.00 0.00 N ATOM 1589 CA SER A 106 12.965 4.141 8.474 1.00 0.00 C ATOM 1590 C SER A 106 12.881 3.746 6.998 1.00 0.00 C ATOM 1591 O SER A 106 13.829 3.190 6.445 1.00 0.00 O ATOM 1592 CB SER A 106 12.719 5.642 8.637 1.00 0.00 C ATOM 1593 OG SER A 106 13.043 6.097 9.948 1.00 0.00 O ATOM 0 H SER A 106 14.857 4.544 9.280 1.00 0.00 H new ATOM 0 HA SER A 106 12.191 3.611 9.030 1.00 0.00 H new ATOM 0 HB2 SER A 106 13.315 6.188 7.906 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.673 5.863 8.425 1.00 0.00 H new ATOM 0 HG SER A 106 12.874 7.060 10.011 1.00 0.00 H new ATOM 1599 N VAL A 107 11.738 4.050 6.401 1.00 0.00 N ATOM 1600 CA VAL A 107 11.518 3.734 5.000 1.00 0.00 C ATOM 1601 C VAL A 107 12.234 4.769 4.130 1.00 0.00 C ATOM 1602 O VAL A 107 12.749 5.764 4.638 1.00 0.00 O ATOM 1603 CB VAL A 107 10.018 3.647 4.712 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.328 2.686 5.683 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.369 5.032 4.759 1.00 0.00 C ATOM 0 H VAL A 107 10.954 4.512 6.862 1.00 0.00 H new ATOM 0 HA VAL A 107 11.939 2.758 4.758 1.00 0.00 H new ATOM 0 HB VAL A 107 9.893 3.252 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.263 2.643 5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.762 1.691 5.580 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.468 3.039 6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.303 4.941 4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.510 5.466 5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.831 5.676 4.011 1.00 0.00 H new ATOM 1615 N ALA A 108 12.245 4.499 2.833 1.00 0.00 N ATOM 1616 CA ALA A 108 12.890 5.394 1.887 1.00 0.00 C ATOM 1617 C ALA A 108 12.020 6.638 1.695 1.00 0.00 C ATOM 1618 O ALA A 108 12.486 7.651 1.176 1.00 0.00 O ATOM 1619 CB ALA A 108 13.144 4.652 0.573 1.00 0.00 C ATOM 0 H ALA A 108 11.817 3.673 2.415 1.00 0.00 H new ATOM 0 HA ALA A 108 13.857 5.723 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.628 5.323 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.790 3.794 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.195 4.309 0.159 1.00 0.00 H new ATOM 1625 N GLY A 109 10.772 6.521 2.124 1.00 0.00 N ATOM 1626 CA GLY A 109 9.833 7.624 2.006 1.00 0.00 C ATOM 1627 C GLY A 109 8.473 7.251 2.598 1.00 0.00 C ATOM 1628 O GLY A 109 7.917 6.203 2.274 1.00 0.00 O ATOM 0 H GLY A 109 10.389 5.679 2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.229 8.500 2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.715 7.895 0.957 1.00 0.00 H new ATOM 1632 N GLU A 110 7.976 8.131 3.455 1.00 0.00 N ATOM 1633 CA GLU A 110 6.690 7.907 4.096 1.00 0.00 C ATOM 1634 C GLU A 110 5.661 8.919 3.588 1.00 0.00 C ATOM 1635 O GLU A 110 5.930 10.119 3.555 1.00 0.00 O ATOM 1636 CB GLU A 110 6.818 7.973 5.619 1.00 0.00 C ATOM 1637 CG GLU A 110 6.781 6.572 6.233 1.00 0.00 C ATOM 1638 CD GLU A 110 7.722 6.475 7.435 1.00 0.00 C ATOM 1639 OE1 GLU A 110 8.673 7.285 7.478 1.00 0.00 O ATOM 1640 OE2 GLU A 110 7.470 5.592 8.284 1.00 0.00 O ATOM 0 H GLU A 110 8.440 9.000 3.721 1.00 0.00 H new ATOM 0 HA GLU A 110 6.346 6.906 3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.751 8.467 5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.008 8.576 6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.764 6.334 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.066 5.835 5.483 1.00 0.00 H new ATOM 1647 N LEU A 111 4.505 8.398 3.205 1.00 0.00 N ATOM 1648 CA LEU A 111 3.435 9.241 2.700 1.00 0.00 C ATOM 1649 C LEU A 111 2.139 8.913 3.445 1.00 0.00 C ATOM 1650 O LEU A 111 1.936 7.779 3.876 1.00 0.00 O ATOM 1651 CB LEU A 111 3.320 9.109 1.180 1.00 0.00 C ATOM 1652 CG LEU A 111 3.507 10.399 0.379 1.00 0.00 C ATOM 1653 CD1 LEU A 111 4.123 10.109 -0.991 1.00 0.00 C ATOM 1654 CD2 LEU A 111 2.189 11.168 0.263 1.00 0.00 C ATOM 0 H LEU A 111 4.286 7.402 3.234 1.00 0.00 H new ATOM 0 HA LEU A 111 3.656 10.291 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.060 8.384 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.339 8.697 0.944 1.00 0.00 H new ATOM 0 HG LEU A 111 4.207 11.038 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.245 11.043 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.096 9.635 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.467 9.442 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.350 12.081 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.449 10.547 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.829 11.424 1.259 1.00 0.00 H new ATOM 1666 N ARG A 112 1.296 9.927 3.574 1.00 0.00 N ATOM 1667 CA ARG A 112 0.026 9.762 4.260 1.00 0.00 C ATOM 1668 C ARG A 112 -1.115 10.323 3.408 1.00 0.00 C ATOM 1669 O ARG A 112 -1.006 11.421 2.865 1.00 0.00 O ATOM 1670 CB ARG A 112 0.035 10.469 5.616 1.00 0.00 C ATOM 1671 CG ARG A 112 -1.388 10.673 6.139 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.388 11.515 7.416 1.00 0.00 C ATOM 1673 NE ARG A 112 -2.696 12.189 7.578 1.00 0.00 N ATOM 1674 CZ ARG A 112 -3.049 12.893 8.661 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -2.194 13.021 9.685 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -4.257 13.470 8.721 1.00 0.00 N ATOM 0 H ARG A 112 1.468 10.866 3.215 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.126 8.695 4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.609 9.881 6.333 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.534 11.434 5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.993 11.163 5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.848 9.705 6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.187 10.881 8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.590 12.257 7.372 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.371 12.112 6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.274 12.582 9.639 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.463 13.557 10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.908 13.373 7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -4.526 14.006 9.546 1.00 0.00 H new ATOM 1690 N LEU A 113 -2.182 9.543 3.317 1.00 0.00 N ATOM 1691 CA LEU A 113 -3.341 9.948 2.540 1.00 0.00 C ATOM 1692 C LEU A 113 -4.584 9.914 3.431 1.00 0.00 C ATOM 1693 O LEU A 113 -4.515 9.489 4.583 1.00 0.00 O ATOM 1694 CB LEU A 113 -3.466 9.092 1.278 1.00 0.00 C ATOM 1695 CG LEU A 113 -2.243 9.071 0.358 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -2.057 10.420 -0.338 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -0.989 8.643 1.123 1.00 0.00 C ATOM 0 H LEU A 113 -2.268 8.632 3.769 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.226 10.974 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.688 8.068 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.321 9.449 0.704 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.414 8.328 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.181 10.378 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.940 10.646 -0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.917 11.200 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.135 8.636 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.802 9.344 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.136 7.643 1.532 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.692 10.368 2.864 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.949 10.395 3.593 1.00 0.00 C ATOM 1711 C GLY A 114 -8.078 9.782 2.763 1.00 0.00 C ATOM 1712 O GLY A 114 -8.271 10.149 1.605 1.00 0.00 O ATOM 0 H GLY A 114 -5.746 10.720 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.842 9.847 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.201 11.423 3.853 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.793 8.857 3.387 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.898 8.189 2.720 1.00 0.00 C ATOM 1718 C LEU A 115 -11.186 8.977 2.963 1.00 0.00 C ATOM 1719 O LEU A 115 -12.271 8.528 2.596 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.980 6.725 3.156 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.645 6.029 3.424 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -7.571 6.507 2.446 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -8.215 6.210 4.881 1.00 0.00 C ATOM 0 H LEU A 115 -8.629 8.554 4.347 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.736 8.168 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.584 6.670 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.510 6.166 2.385 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.778 4.960 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.632 5.996 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.883 6.283 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.432 7.583 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.263 5.705 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.105 7.272 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.971 5.781 5.539 1.00 0.00 H new ATOM 1735 N ASP A 116 -11.024 10.139 3.579 1.00 0.00 N ATOM 1736 CA ASP A 116 -12.162 10.994 3.875 1.00 0.00 C ATOM 1737 C ASP A 116 -12.346 12.002 2.739 1.00 0.00 C ATOM 1738 O ASP A 116 -13.353 12.706 2.687 1.00 0.00 O ATOM 1739 CB ASP A 116 -11.939 11.776 5.171 1.00 0.00 C ATOM 1740 CG ASP A 116 -13.214 12.291 5.842 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -14.303 11.887 5.378 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -13.072 13.076 6.805 1.00 0.00 O ATOM 0 H ASP A 116 -10.123 10.509 3.881 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.042 10.360 3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.408 11.137 5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.290 12.625 4.958 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.357 12.040 1.858 1.00 0.00 N ATOM 1748 CA GLY A 117 -11.397 12.950 0.727 1.00 0.00 C ATOM 1749 C GLY A 117 -11.050 14.376 1.158 1.00 0.00 C ATOM 1750 O GLY A 117 -11.941 15.191 1.397 1.00 0.00 O ATOM 0 H GLY A 117 -10.523 11.455 1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.695 12.617 -0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.390 12.934 0.277 1.00 0.00 H new ATOM 1754 N THR A 118 -9.754 14.635 1.244 1.00 0.00 N ATOM 1755 CA THR A 118 -9.278 15.949 1.642 1.00 0.00 C ATOM 1756 C THR A 118 -7.877 16.202 1.081 1.00 0.00 C ATOM 1757 O THR A 118 -7.729 16.813 0.024 1.00 0.00 O ATOM 1758 CB THR A 118 -9.345 16.034 3.168 1.00 0.00 C ATOM 1759 OG1 THR A 118 -10.712 16.331 3.440 1.00 0.00 O ATOM 1760 CG2 THR A 118 -8.585 17.241 3.722 1.00 0.00 C ATOM 0 H THR A 118 -9.018 13.957 1.045 1.00 0.00 H new ATOM 0 HA THR A 118 -9.907 16.738 1.230 1.00 0.00 H new ATOM 0 HB THR A 118 -8.938 15.120 3.600 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.232 16.263 2.612 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.665 17.254 4.809 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.535 17.173 3.436 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.013 18.158 3.316 1.00 0.00 H new ATOM 1768 N SER A 119 -6.884 15.718 1.813 1.00 0.00 N ATOM 1769 CA SER A 119 -5.501 15.883 1.401 1.00 0.00 C ATOM 1770 C SER A 119 -5.285 15.252 0.024 1.00 0.00 C ATOM 1771 O SER A 119 -4.482 15.742 -0.768 1.00 0.00 O ATOM 1772 CB SER A 119 -4.544 15.266 2.424 1.00 0.00 C ATOM 1773 OG SER A 119 -4.318 16.131 3.534 1.00 0.00 O ATOM 0 H SER A 119 -7.010 15.211 2.689 1.00 0.00 H new ATOM 0 HA SER A 119 -5.288 16.950 1.341 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.954 14.320 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.593 15.040 1.941 1.00 0.00 H new ATOM 0 HG SER A 119 -3.704 15.700 4.165 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.018 14.175 -0.219 1.00 0.00 N ATOM 1780 CA VAL A 120 -5.917 13.472 -1.486 1.00 0.00 C ATOM 1781 C VAL A 120 -7.299 12.956 -1.890 1.00 0.00 C ATOM 1782 O VAL A 120 -7.960 12.267 -1.113 1.00 0.00 O ATOM 1783 CB VAL A 120 -4.869 12.361 -1.387 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -5.043 11.558 -0.096 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -4.921 11.448 -2.613 1.00 0.00 C ATOM 0 H VAL A 120 -6.684 13.772 0.440 1.00 0.00 H new ATOM 0 HA VAL A 120 -5.580 14.148 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 120 -3.885 12.829 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -4.286 10.775 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.932 12.221 0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.035 11.106 -0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.166 10.667 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.908 10.992 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -4.725 12.034 -3.511 1.00 0.00 H new ATOM 1795 N PRO A 121 -7.707 13.317 -3.136 1.00 0.00 N ATOM 1796 CA PRO A 121 -8.999 12.898 -3.652 1.00 0.00 C ATOM 1797 C PRO A 121 -8.977 11.420 -4.049 1.00 0.00 C ATOM 1798 O PRO A 121 -7.918 10.795 -4.071 1.00 0.00 O ATOM 1799 CB PRO A 121 -9.274 13.824 -4.824 1.00 0.00 C ATOM 1800 CG PRO A 121 -7.929 14.417 -5.211 1.00 0.00 C ATOM 1801 CD PRO A 121 -6.951 14.131 -4.083 1.00 0.00 C ATOM 0 HA PRO A 121 -9.793 12.972 -2.909 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -9.715 13.278 -5.658 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.980 14.606 -4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -7.574 13.980 -6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.018 15.491 -5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.071 13.601 -4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -6.599 15.053 -3.620 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.159 10.905 -4.354 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.289 9.513 -4.750 1.00 0.00 C ATOM 1811 C LEU A 122 -10.458 9.433 -6.268 1.00 0.00 C ATOM 1812 O LEU A 122 -10.887 10.397 -6.900 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.418 8.837 -3.969 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.137 8.555 -2.492 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -12.426 8.212 -1.743 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.075 7.464 -2.335 1.00 0.00 C ATOM 0 H LEU A 122 -11.035 11.427 -4.335 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.384 8.960 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.306 9.466 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -11.658 7.893 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 122 -10.736 9.463 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.197 8.016 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.121 9.049 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -12.880 7.326 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -9.894 7.283 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.425 6.545 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.149 7.786 -2.812 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.112 8.274 -6.809 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.220 8.055 -8.242 1.00 0.00 C ATOM 1830 C GLY A 123 -9.398 9.087 -9.017 1.00 0.00 C ATOM 1831 O GLY A 123 -9.589 9.261 -10.220 1.00 0.00 O ATOM 0 H GLY A 123 -9.757 7.477 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.874 7.051 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.265 8.115 -8.545 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.502 9.745 -8.297 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.650 10.755 -8.903 1.00 0.00 C ATOM 1837 C ALA A 124 -6.186 10.337 -8.754 1.00 0.00 C ATOM 1838 O ALA A 124 -5.844 9.570 -7.855 1.00 0.00 O ATOM 1839 CB ALA A 124 -7.937 12.115 -8.263 1.00 0.00 C ATOM 0 H ALA A 124 -8.347 9.599 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.860 10.846 -9.969 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.298 12.873 -8.717 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.983 12.379 -8.422 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.735 12.064 -7.193 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.361 10.861 -9.648 1.00 0.00 N ATOM 1846 CA ALA A 125 -3.941 10.552 -9.627 1.00 0.00 C ATOM 1847 C ALA A 125 -3.148 11.835 -9.372 1.00 0.00 C ATOM 1848 O ALA A 125 -3.079 12.708 -10.236 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.547 9.874 -10.941 1.00 0.00 C ATOM 0 H ALA A 125 -5.648 11.497 -10.392 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.711 9.857 -8.820 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.482 9.642 -10.926 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.117 8.953 -11.060 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -3.761 10.544 -11.774 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.569 11.908 -8.183 1.00 0.00 N ATOM 1856 CA GLN A 126 -1.783 13.070 -7.803 1.00 0.00 C ATOM 1857 C GLN A 126 -0.378 12.644 -7.374 1.00 0.00 C ATOM 1858 O GLN A 126 -0.208 11.606 -6.736 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.478 13.864 -6.695 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.268 12.936 -5.769 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.629 12.586 -6.374 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -5.228 13.356 -7.105 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.081 11.384 -6.028 1.00 0.00 N ATOM 0 H GLN A 126 -2.628 11.181 -7.470 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.694 13.723 -8.671 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.736 14.415 -6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.149 14.601 -7.137 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -2.699 12.023 -5.592 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -3.409 13.417 -4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -4.528 10.789 -5.411 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -5.981 11.057 -6.379 1.00 0.00 H new ATOM 1872 N TRP A 127 0.594 13.466 -7.741 1.00 0.00 N ATOM 1873 CA TRP A 127 1.978 13.187 -7.401 1.00 0.00 C ATOM 1874 C TRP A 127 2.246 13.751 -6.004 1.00 0.00 C ATOM 1875 O TRP A 127 2.335 14.965 -5.828 1.00 0.00 O ATOM 1876 CB TRP A 127 2.927 13.747 -8.464 1.00 0.00 C ATOM 1877 CG TRP A 127 3.112 12.833 -9.676 1.00 0.00 C ATOM 1878 CD1 TRP A 127 2.455 12.868 -10.844 1.00 0.00 C ATOM 1879 CD2 TRP A 127 4.047 11.740 -9.794 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.897 11.882 -11.702 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.895 11.174 -11.044 1.00 0.00 C ATOM 1882 CE3 TRP A 127 4.990 11.246 -8.876 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.653 10.084 -11.488 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.739 10.156 -9.335 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.598 9.575 -10.590 1.00 0.00 C ATOM 0 H TRP A 127 0.450 14.326 -8.271 1.00 0.00 H new ATOM 0 HA TRP A 127 2.161 12.113 -7.383 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.548 14.711 -8.803 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.900 13.930 -8.008 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.678 13.579 -11.083 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.554 11.705 -12.646 1.00 0.00 H new ATOM 0 HE3 TRP A 127 5.126 11.674 -7.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.516 9.659 -12.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.478 9.737 -8.668 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.215 8.734 -10.871 1.00 0.00 H new ATOM 1896 N GLY A 128 2.366 12.842 -5.048 1.00 0.00 N ATOM 1897 CA GLY A 128 2.621 13.234 -3.672 1.00 0.00 C ATOM 1898 C GLY A 128 4.070 12.940 -3.278 1.00 0.00 C ATOM 1899 O GLY A 128 4.567 11.837 -3.502 1.00 0.00 O ATOM 0 H GLY A 128 2.291 11.836 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.415 14.297 -3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 128 1.944 12.699 -3.006 1.00 0.00 H new ATOM 1903 N GLU A 129 4.708 13.946 -2.698 1.00 0.00 N ATOM 1904 CA GLU A 129 6.090 13.809 -2.271 1.00 0.00 C ATOM 1905 C GLU A 129 6.177 12.910 -1.036 1.00 0.00 C ATOM 1906 O GLU A 129 5.284 12.921 -0.191 1.00 0.00 O ATOM 1907 CB GLU A 129 6.717 15.178 -1.998 1.00 0.00 C ATOM 1908 CG GLU A 129 8.053 15.325 -2.730 1.00 0.00 C ATOM 1909 CD GLU A 129 8.371 16.797 -3.000 1.00 0.00 C ATOM 1910 OE1 GLU A 129 8.684 17.500 -2.015 1.00 0.00 O ATOM 1911 OE2 GLU A 129 8.294 17.186 -4.186 1.00 0.00 O ATOM 0 H GLU A 129 4.293 14.859 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 129 6.655 13.341 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.034 15.965 -2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.870 15.305 -0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.850 14.881 -2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.018 14.778 -3.672 1.00 0.00 H new ATOM 1918 N LEU A 130 7.262 12.152 -0.971 1.00 0.00 N ATOM 1919 CA LEU A 130 7.478 11.248 0.146 1.00 0.00 C ATOM 1920 C LEU A 130 8.045 12.034 1.330 1.00 0.00 C ATOM 1921 O LEU A 130 8.957 12.843 1.163 1.00 0.00 O ATOM 1922 CB LEU A 130 8.351 10.066 -0.282 1.00 0.00 C ATOM 1923 CG LEU A 130 7.663 9.001 -1.139 1.00 0.00 C ATOM 1924 CD1 LEU A 130 8.693 8.148 -1.883 1.00 0.00 C ATOM 1925 CD2 LEU A 130 6.714 8.148 -0.296 1.00 0.00 C ATOM 0 H LEU A 130 8.001 12.145 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 130 6.533 10.814 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.206 10.453 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.743 9.586 0.615 1.00 0.00 H new ATOM 0 HG LEU A 130 7.058 9.506 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.178 7.399 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.293 8.786 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.343 7.651 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.238 7.399 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.277 7.651 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 130 5.950 8.785 0.149 1.00 0.00 H new ATOM 1937 N LYS A 131 7.482 11.769 2.499 1.00 0.00 N ATOM 1938 CA LYS A 131 7.919 12.442 3.710 1.00 0.00 C ATOM 1939 C LYS A 131 8.955 11.571 4.426 1.00 0.00 C ATOM 1940 O LYS A 131 8.740 11.153 5.563 1.00 0.00 O ATOM 1941 CB LYS A 131 6.718 12.811 4.583 1.00 0.00 C ATOM 1942 CG LYS A 131 5.835 13.849 3.889 1.00 0.00 C ATOM 1943 CD LYS A 131 6.512 15.221 3.872 1.00 0.00 C ATOM 1944 CE LYS A 131 6.981 15.584 2.462 1.00 0.00 C ATOM 1945 NZ LYS A 131 8.418 15.939 2.469 1.00 0.00 N ATOM 0 H LYS A 131 6.727 11.097 2.634 1.00 0.00 H new ATOM 0 HA LYS A 131 8.407 13.386 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.133 11.917 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.065 13.204 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.626 13.530 2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 131 4.877 13.919 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 131 5.816 15.978 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.363 15.219 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 131 6.811 14.744 1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 131 6.395 16.421 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 8.605 16.643 1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 8.673 16.337 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.987 15.087 2.290 1.00 0.00 H new ATOM 1959 N THR A 132 10.055 11.324 3.731 1.00 0.00 N ATOM 1960 CA THR A 132 11.124 10.511 4.285 1.00 0.00 C ATOM 1961 C THR A 132 11.292 10.798 5.778 1.00 0.00 C ATOM 1962 O THR A 132 11.248 11.953 6.201 1.00 0.00 O ATOM 1963 CB THR A 132 12.391 10.775 3.469 1.00 0.00 C ATOM 1964 OG1 THR A 132 12.619 12.173 3.623 1.00 0.00 O ATOM 1965 CG2 THR A 132 12.166 10.598 1.966 1.00 0.00 C ATOM 0 H THR A 132 10.229 11.673 2.788 1.00 0.00 H new ATOM 0 HA THR A 132 10.891 9.449 4.214 1.00 0.00 H new ATOM 0 HB THR A 132 13.182 10.102 3.800 1.00 0.00 H new ATOM 0 HG1 THR A 132 13.066 12.522 2.823 1.00 0.00 H new ATOM 0 HG21 THR A 132 13.096 10.797 1.433 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.843 9.577 1.764 1.00 0.00 H new ATOM 0 HG23 THR A 132 11.398 11.294 1.629 1.00 0.00 H new ATOM 1973 N SER A 133 11.482 9.728 6.537 1.00 0.00 N ATOM 1974 CA SER A 133 11.657 9.851 7.974 1.00 0.00 C ATOM 1975 C SER A 133 10.336 10.257 8.629 1.00 0.00 C ATOM 1976 O SER A 133 9.631 11.129 8.125 1.00 0.00 O ATOM 1977 CB SER A 133 12.751 10.866 8.311 1.00 0.00 C ATOM 1978 OG SER A 133 13.875 10.748 7.443 1.00 0.00 O ATOM 0 H SER A 133 11.519 8.772 6.183 1.00 0.00 H new ATOM 0 HA SER A 133 11.966 8.882 8.365 1.00 0.00 H new ATOM 0 HB2 SER A 133 12.344 11.875 8.241 1.00 0.00 H new ATOM 0 HB3 SER A 133 13.073 10.723 9.342 1.00 0.00 H new ATOM 0 HG SER A 133 14.550 11.414 7.690 1.00 0.00 H new ATOM 1984 N GLY A 134 10.040 9.604 9.744 1.00 0.00 N ATOM 1985 CA GLY A 134 8.816 9.886 10.474 1.00 0.00 C ATOM 1986 C GLY A 134 8.185 8.598 11.004 1.00 0.00 C ATOM 1987 O GLY A 134 8.666 7.503 10.717 1.00 0.00 O ATOM 0 H GLY A 134 10.627 8.881 10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 134 9.030 10.559 11.304 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.110 10.400 9.822 1.00 0.00 H new ATOM 1991 N PRO A 135 7.088 8.775 11.789 1.00 0.00 N ATOM 1992 CA PRO A 135 6.386 7.640 12.362 1.00 0.00 C ATOM 1993 C PRO A 135 5.552 6.919 11.301 1.00 0.00 C ATOM 1994 O PRO A 135 4.902 7.559 10.476 1.00 0.00 O ATOM 1995 CB PRO A 135 5.542 8.224 13.483 1.00 0.00 C ATOM 1996 CG PRO A 135 5.446 9.714 13.200 1.00 0.00 C ATOM 1997 CD PRO A 135 6.490 10.057 12.150 1.00 0.00 C ATOM 0 HA PRO A 135 7.063 6.878 12.747 1.00 0.00 H new ATOM 0 HB2 PRO A 135 4.553 7.766 13.506 1.00 0.00 H new ATOM 0 HB3 PRO A 135 6.001 8.040 14.454 1.00 0.00 H new ATOM 0 HG2 PRO A 135 4.448 9.972 12.845 1.00 0.00 H new ATOM 0 HG3 PRO A 135 5.618 10.287 14.111 1.00 0.00 H new ATOM 0 HD2 PRO A 135 6.037 10.540 11.284 1.00 0.00 H new ATOM 0 HD3 PRO A 135 7.237 10.745 12.545 1.00 0.00 H new ATOM 2005 N SER A 136 5.599 5.596 11.356 1.00 0.00 N ATOM 2006 CA SER A 136 4.856 4.780 10.410 1.00 0.00 C ATOM 2007 C SER A 136 3.389 4.692 10.834 1.00 0.00 C ATOM 2008 O SER A 136 2.496 5.075 10.080 1.00 0.00 O ATOM 2009 CB SER A 136 5.461 3.380 10.296 1.00 0.00 C ATOM 2010 OG SER A 136 4.588 2.474 9.626 1.00 0.00 O ATOM 0 H SER A 136 6.140 5.068 12.041 1.00 0.00 H new ATOM 0 HA SER A 136 4.916 5.253 9.430 1.00 0.00 H new ATOM 0 HB2 SER A 136 6.407 3.437 9.758 1.00 0.00 H new ATOM 0 HB3 SER A 136 5.684 2.999 11.293 1.00 0.00 H new ATOM 0 HG SER A 136 5.011 1.592 9.572 1.00 0.00 H new ATOM 2016 N SER A 137 3.184 4.184 12.041 1.00 0.00 N ATOM 2017 CA SER A 137 1.841 4.040 12.575 1.00 0.00 C ATOM 2018 C SER A 137 1.736 4.751 13.926 1.00 0.00 C ATOM 2019 O SER A 137 2.750 5.058 14.550 1.00 0.00 O ATOM 2020 CB SER A 137 1.461 2.565 12.720 1.00 0.00 C ATOM 2021 OG SER A 137 0.083 2.398 13.043 1.00 0.00 O ATOM 0 H SER A 137 3.927 3.867 12.664 1.00 0.00 H new ATOM 0 HA SER A 137 1.143 4.499 11.875 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.682 2.041 11.790 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.074 2.107 13.497 1.00 0.00 H new ATOM 0 HG SER A 137 -0.120 1.443 13.125 1.00 0.00 H new ATOM 2027 N GLY A 138 0.499 4.992 14.337 1.00 0.00 N ATOM 2028 CA GLY A 138 0.248 5.660 15.602 1.00 0.00 C ATOM 2029 C GLY A 138 -0.811 4.914 16.416 1.00 0.00 C ATOM 2030 O GLY A 138 -1.733 4.328 15.852 1.00 0.00 O ATOM 0 H GLY A 138 -0.340 4.736 13.816 1.00 0.00 H new ATOM 0 HA2 GLY A 138 1.174 5.723 16.174 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -0.083 6.682 15.418 1.00 0.00 H new TER 2034 GLY A 138