USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 897 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 ASN :FLIP amide:sc= -1.43! C(o=-7.4!,f=-6.5!) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -5.1! C(o=-6.5!,f=-11!) USER MOD Set 2.1: A 45 THR OG1 : rot 9:sc= 0.401 USER MOD Set 2.2: A 84 GLN :FLIP amide:sc= -0.733 F(o=-1.7,f=-0.33) USER MOD Set 3.1: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 101 TYR OH : rot 180:sc= -0.0364 USER MOD Set 4.1: A 62 HIS :FLIP no HD1:sc= -0.871 F(o=-2.3!,f=-0.91) USER MOD Set 4.2: A 70 SER OG : rot 160:sc= -0.0398 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0662 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 20:sc= 0.386 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 64:sc= 0.913 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= -1.27 (180deg=-2.71!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 90:sc= 0 USER MOD Single : A 48 SER OG : rot 32:sc= -1.49! USER MOD Single : A 52 THR OG1 : rot 120:sc= -0.0599 USER MOD Single : A 53 GLN : amide:sc= -0.347! K(o=-0.35!,f=-1) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 160:sc= 0 USER MOD Single : A 73 CYS SG : rot 25:sc= -0.903 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -173:sc= 0.894 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -126:sc= -0.595 (180deg=-1.5!) USER MOD Single : A 100 THR OG1 : rot 31:sc= 0.0441 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.0233 F(o=-0.65,f=-0.023) USER MOD Single : A 109 SER OG : rot -170:sc= -1.53 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 CYS SG : rot 180:sc= 0.0285 USER MOD Single : A 120 GLN : amide:sc= -4.73! C(o=-4.7!,f=-7.4!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 39:sc= 0.386 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.276 2.924 31.237 1.00 0.00 N ATOM 2 CA GLY A 1 20.832 4.166 31.841 1.00 0.00 C ATOM 3 C GLY A 1 21.109 5.370 30.962 1.00 0.00 C ATOM 4 O GLY A 1 21.496 5.224 29.803 1.00 0.00 O ATOM 0 H1 GLY A 1 20.500 2.232 31.256 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.559 3.099 30.252 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.087 2.550 31.769 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.763 4.106 32.043 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.331 4.298 32.801 1.00 0.00 H new ATOM 8 N SER A 2 20.908 6.562 31.514 1.00 0.00 N ATOM 9 CA SER A 2 21.134 7.796 30.770 1.00 0.00 C ATOM 10 C SER A 2 20.250 7.851 29.527 1.00 0.00 C ATOM 11 O SER A 2 20.696 8.252 28.452 1.00 0.00 O ATOM 12 CB SER A 2 22.605 7.913 30.369 1.00 0.00 C ATOM 13 OG SER A 2 23.413 8.246 31.484 1.00 0.00 O ATOM 0 H SER A 2 20.589 6.700 32.473 1.00 0.00 H new ATOM 0 HA SER A 2 20.874 8.634 31.417 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.944 6.970 29.939 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.715 8.674 29.596 1.00 0.00 H new ATOM 0 HG SER A 2 24.349 8.313 31.201 1.00 0.00 H new ATOM 19 N SER A 3 18.994 7.444 29.683 1.00 0.00 N ATOM 20 CA SER A 3 18.048 7.442 28.574 1.00 0.00 C ATOM 21 C SER A 3 16.630 7.711 29.069 1.00 0.00 C ATOM 22 O SER A 3 16.050 6.904 29.794 1.00 0.00 O ATOM 23 CB SER A 3 18.097 6.103 27.837 1.00 0.00 C ATOM 24 OG SER A 3 17.394 6.171 26.608 1.00 0.00 O ATOM 0 H SER A 3 18.608 7.111 30.567 1.00 0.00 H new ATOM 0 HA SER A 3 18.331 8.238 27.886 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.134 5.824 27.651 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.665 5.323 28.464 1.00 0.00 H new ATOM 0 HG SER A 3 17.442 5.303 26.155 1.00 0.00 H new ATOM 30 N GLY A 4 16.078 8.854 28.672 1.00 0.00 N ATOM 31 CA GLY A 4 14.733 9.211 29.085 1.00 0.00 C ATOM 32 C GLY A 4 14.074 10.187 28.131 1.00 0.00 C ATOM 33 O GLY A 4 13.411 11.132 28.559 1.00 0.00 O ATOM 0 H GLY A 4 16.538 9.539 28.072 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.126 8.308 29.154 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.767 9.649 30.082 1.00 0.00 H new ATOM 37 N SER A 5 14.258 9.961 26.834 1.00 0.00 N ATOM 38 CA SER A 5 13.681 10.831 25.817 1.00 0.00 C ATOM 39 C SER A 5 12.211 10.494 25.584 1.00 0.00 C ATOM 40 O SER A 5 11.883 9.615 24.788 1.00 0.00 O ATOM 41 CB SER A 5 14.459 10.704 24.505 1.00 0.00 C ATOM 42 OG SER A 5 14.332 11.878 23.721 1.00 0.00 O ATOM 0 H SER A 5 14.802 9.182 26.463 1.00 0.00 H new ATOM 0 HA SER A 5 13.748 11.859 26.173 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.511 10.518 24.719 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.092 9.846 23.942 1.00 0.00 H new ATOM 0 HG SER A 5 14.839 11.772 22.889 1.00 0.00 H new ATOM 48 N SER A 6 11.330 11.201 26.285 1.00 0.00 N ATOM 49 CA SER A 6 9.895 10.975 26.159 1.00 0.00 C ATOM 50 C SER A 6 9.115 12.248 26.474 1.00 0.00 C ATOM 51 O SER A 6 9.696 13.275 26.824 1.00 0.00 O ATOM 52 CB SER A 6 9.451 9.847 27.092 1.00 0.00 C ATOM 53 OG SER A 6 9.737 8.578 26.529 1.00 0.00 O ATOM 0 H SER A 6 11.585 11.935 26.946 1.00 0.00 H new ATOM 0 HA SER A 6 9.686 10.687 25.128 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.957 9.945 28.053 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.381 9.930 27.285 1.00 0.00 H new ATOM 0 HG SER A 6 10.418 8.676 25.831 1.00 0.00 H new ATOM 59 N GLY A 7 7.794 12.172 26.349 1.00 0.00 N ATOM 60 CA GLY A 7 6.955 13.324 26.623 1.00 0.00 C ATOM 61 C GLY A 7 6.165 13.769 25.408 1.00 0.00 C ATOM 62 O GLY A 7 6.384 14.861 24.883 1.00 0.00 O ATOM 0 H GLY A 7 7.289 11.333 26.063 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.266 13.083 27.432 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.578 14.149 26.970 1.00 0.00 H new ATOM 66 N HIS A 8 5.245 12.921 24.960 1.00 0.00 N ATOM 67 CA HIS A 8 4.420 13.233 23.798 1.00 0.00 C ATOM 68 C HIS A 8 2.937 13.151 24.146 1.00 0.00 C ATOM 69 O HIS A 8 2.487 12.187 24.767 1.00 0.00 O ATOM 70 CB HIS A 8 4.740 12.277 22.648 1.00 0.00 C ATOM 71 CG HIS A 8 6.045 12.567 21.973 1.00 0.00 C ATOM 72 ND1 HIS A 8 7.056 11.637 21.858 1.00 0.00 N ATOM 73 CD2 HIS A 8 6.500 13.692 21.372 1.00 0.00 C ATOM 74 CE1 HIS A 8 8.078 12.177 21.219 1.00 0.00 C ATOM 75 NE2 HIS A 8 7.766 13.424 20.912 1.00 0.00 N ATOM 0 H HIS A 8 5.052 12.013 25.383 1.00 0.00 H new ATOM 0 HA HIS A 8 4.646 14.253 23.486 1.00 0.00 H new ATOM 0 HB2 HIS A 8 4.757 11.256 23.029 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.939 12.329 21.910 1.00 0.00 H new ATOM 0 HD2 HIS A 8 5.967 14.626 21.273 1.00 0.00 H new ATOM 0 HE1 HIS A 8 9.010 11.683 20.987 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.368 14.081 20.414 1.00 0.00 H new ATOM 83 N PHE A 9 2.182 14.167 23.743 1.00 0.00 N ATOM 84 CA PHE A 9 0.750 14.211 24.014 1.00 0.00 C ATOM 85 C PHE A 9 -0.052 13.995 22.734 1.00 0.00 C ATOM 86 O PHE A 9 -0.169 14.882 21.888 1.00 0.00 O ATOM 87 CB PHE A 9 0.370 15.550 24.648 1.00 0.00 C ATOM 88 CG PHE A 9 -1.054 15.952 24.392 1.00 0.00 C ATOM 89 CD1 PHE A 9 -2.093 15.353 25.086 1.00 0.00 C ATOM 90 CD2 PHE A 9 -1.354 16.930 23.457 1.00 0.00 C ATOM 91 CE1 PHE A 9 -3.404 15.721 24.851 1.00 0.00 C ATOM 92 CE2 PHE A 9 -2.664 17.302 23.218 1.00 0.00 C ATOM 93 CZ PHE A 9 -3.690 16.697 23.917 1.00 0.00 C ATOM 0 H PHE A 9 2.538 14.972 23.227 1.00 0.00 H new ATOM 0 HA PHE A 9 0.512 13.407 24.711 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.535 15.493 25.724 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.033 16.326 24.264 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.876 14.590 25.819 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.555 17.407 22.909 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.205 15.245 25.398 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.885 18.065 22.486 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.714 16.987 23.733 1.00 0.00 H new ATOM 103 N PRO A 10 -0.619 12.788 22.588 1.00 0.00 N ATOM 104 CA PRO A 10 -1.420 12.427 21.415 1.00 0.00 C ATOM 105 C PRO A 10 -2.753 13.166 21.373 1.00 0.00 C ATOM 106 O PRO A 10 -3.338 13.469 22.413 1.00 0.00 O ATOM 107 CB PRO A 10 -1.647 10.923 21.590 1.00 0.00 C ATOM 108 CG PRO A 10 -1.535 10.692 23.057 1.00 0.00 C ATOM 109 CD PRO A 10 -0.521 11.683 23.556 1.00 0.00 C ATOM 0 HA PRO A 10 -0.920 12.691 20.483 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.626 10.624 21.216 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.905 10.344 21.040 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.497 10.836 23.549 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -1.219 9.670 23.268 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.748 12.015 24.569 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.482 11.256 23.578 1.00 0.00 H new ATOM 117 N ALA A 11 -3.229 13.452 20.166 1.00 0.00 N ATOM 118 CA ALA A 11 -4.495 14.153 19.990 1.00 0.00 C ATOM 119 C ALA A 11 -5.163 13.758 18.677 1.00 0.00 C ATOM 120 O ALA A 11 -4.493 13.358 17.725 1.00 0.00 O ATOM 121 CB ALA A 11 -4.276 15.658 20.041 1.00 0.00 C ATOM 0 H ALA A 11 -2.757 13.209 19.295 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.158 13.865 20.806 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.230 16.169 19.908 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.849 15.931 21.006 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.592 15.953 19.245 1.00 0.00 H new ATOM 127 N ARG A 12 -6.486 13.872 18.635 1.00 0.00 N ATOM 128 CA ARG A 12 -7.245 13.525 17.439 1.00 0.00 C ATOM 129 C ARG A 12 -7.642 14.778 16.664 1.00 0.00 C ATOM 130 O ARG A 12 -8.755 14.873 16.146 1.00 0.00 O ATOM 131 CB ARG A 12 -8.495 12.728 17.817 1.00 0.00 C ATOM 132 CG ARG A 12 -8.191 11.362 18.410 1.00 0.00 C ATOM 133 CD ARG A 12 -9.420 10.753 19.066 1.00 0.00 C ATOM 134 NE ARG A 12 -10.410 10.323 18.083 1.00 0.00 N ATOM 135 CZ ARG A 12 -11.418 9.504 18.363 1.00 0.00 C ATOM 136 NH1 ARG A 12 -11.568 9.030 19.592 1.00 0.00 N ATOM 137 NH2 ARG A 12 -12.278 9.159 17.414 1.00 0.00 N ATOM 0 H ARG A 12 -7.055 14.202 19.415 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.610 12.911 16.801 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.080 13.304 18.534 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.116 12.600 16.930 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.828 10.697 17.627 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.392 11.453 19.146 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.120 9.900 19.675 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.871 11.483 19.739 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.323 10.671 17.128 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.909 9.294 20.324 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.342 8.401 19.805 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.166 9.523 16.468 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.051 8.530 17.631 1.00 0.00 H new ATOM 151 N VAL A 13 -6.725 15.737 16.590 1.00 0.00 N ATOM 152 CA VAL A 13 -6.979 16.984 15.878 1.00 0.00 C ATOM 153 C VAL A 13 -6.295 16.988 14.516 1.00 0.00 C ATOM 154 O VAL A 13 -5.114 16.658 14.400 1.00 0.00 O ATOM 155 CB VAL A 13 -6.493 18.201 16.688 1.00 0.00 C ATOM 156 CG1 VAL A 13 -4.990 18.132 16.906 1.00 0.00 C ATOM 157 CG2 VAL A 13 -6.880 19.495 15.987 1.00 0.00 C ATOM 0 H VAL A 13 -5.800 15.675 17.014 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.058 17.056 15.740 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.978 18.184 17.664 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.665 19.000 17.480 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.743 17.222 17.453 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.482 18.124 15.941 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.529 20.345 16.572 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.424 19.523 14.997 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.964 19.545 15.888 1.00 0.00 H new ATOM 167 N LYS A 14 -7.044 17.364 13.485 1.00 0.00 N ATOM 168 CA LYS A 14 -6.511 17.413 12.129 1.00 0.00 C ATOM 169 C LYS A 14 -5.959 18.799 11.811 1.00 0.00 C ATOM 170 O LYS A 14 -6.404 19.800 12.374 1.00 0.00 O ATOM 171 CB LYS A 14 -7.597 17.042 11.117 1.00 0.00 C ATOM 172 CG LYS A 14 -8.793 17.978 11.138 1.00 0.00 C ATOM 173 CD LYS A 14 -8.572 19.185 10.241 1.00 0.00 C ATOM 174 CE LYS A 14 -9.824 20.042 10.141 1.00 0.00 C ATOM 175 NZ LYS A 14 -10.016 20.886 11.352 1.00 0.00 N ATOM 0 H LYS A 14 -8.023 17.639 13.563 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.697 16.691 12.060 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.164 17.041 10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.938 16.026 11.318 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.683 17.440 10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.978 18.311 12.159 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.750 19.784 10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.278 18.851 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.758 20.681 9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.694 19.400 10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.880 21.455 11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.105 20.276 12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.198 21.517 11.469 1.00 0.00 H new ATOM 189 N VAL A 15 -4.987 18.851 10.905 1.00 0.00 N ATOM 190 CA VAL A 15 -4.376 20.115 10.511 1.00 0.00 C ATOM 191 C VAL A 15 -4.433 20.305 9.000 1.00 0.00 C ATOM 192 O VAL A 15 -3.994 19.443 8.239 1.00 0.00 O ATOM 193 CB VAL A 15 -2.910 20.198 10.973 1.00 0.00 C ATOM 194 CG1 VAL A 15 -2.089 19.079 10.350 1.00 0.00 C ATOM 195 CG2 VAL A 15 -2.319 21.558 10.631 1.00 0.00 C ATOM 0 H VAL A 15 -4.606 18.032 10.430 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.947 20.907 10.996 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.882 20.077 12.056 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.056 19.154 10.688 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.500 18.115 10.651 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.122 19.165 9.264 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.282 21.599 10.965 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.359 21.711 9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.892 22.340 11.130 1.00 0.00 H new ATOM 205 N GLU A 16 -4.977 21.440 8.571 1.00 0.00 N ATOM 206 CA GLU A 16 -5.091 21.743 7.149 1.00 0.00 C ATOM 207 C GLU A 16 -3.813 21.361 6.408 1.00 0.00 C ATOM 208 O GLU A 16 -2.701 21.665 6.839 1.00 0.00 O ATOM 209 CB GLU A 16 -5.388 23.230 6.944 1.00 0.00 C ATOM 210 CG GLU A 16 -6.728 23.667 7.512 1.00 0.00 C ATOM 211 CD GLU A 16 -7.020 25.133 7.256 1.00 0.00 C ATOM 212 OE1 GLU A 16 -7.592 25.446 6.190 1.00 0.00 O ATOM 213 OE2 GLU A 16 -6.676 25.967 8.119 1.00 0.00 O ATOM 0 H GLU A 16 -5.345 22.164 9.188 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.915 21.156 6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.597 23.817 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.365 23.453 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.520 23.061 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.742 23.480 8.586 1.00 0.00 H new ATOM 220 N PRO A 17 -3.975 20.678 5.265 1.00 0.00 N ATOM 221 CA PRO A 17 -2.846 20.240 4.438 1.00 0.00 C ATOM 222 C PRO A 17 -2.139 21.406 3.756 1.00 0.00 C ATOM 223 O PRO A 17 -2.784 22.309 3.223 1.00 0.00 O ATOM 224 CB PRO A 17 -3.502 19.329 3.397 1.00 0.00 C ATOM 225 CG PRO A 17 -4.911 19.805 3.311 1.00 0.00 C ATOM 226 CD PRO A 17 -5.272 20.282 4.691 1.00 0.00 C ATOM 0 HA PRO A 17 -2.074 19.748 5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.999 19.404 2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.455 18.283 3.701 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.007 20.610 2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.575 19.003 2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.969 21.119 4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.747 19.495 5.277 1.00 0.00 H new ATOM 234 N ALA A 18 -0.811 21.380 3.776 1.00 0.00 N ATOM 235 CA ALA A 18 -0.017 22.434 3.156 1.00 0.00 C ATOM 236 C ALA A 18 0.909 21.867 2.086 1.00 0.00 C ATOM 237 O ALA A 18 1.833 22.541 1.630 1.00 0.00 O ATOM 238 CB ALA A 18 0.786 23.179 4.212 1.00 0.00 C ATOM 0 H ALA A 18 -0.262 20.641 4.215 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.700 23.134 2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.374 23.963 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.106 23.625 4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.453 22.483 4.720 1.00 0.00 H new ATOM 244 N VAL A 19 0.657 20.624 1.690 1.00 0.00 N ATOM 245 CA VAL A 19 1.469 19.966 0.673 1.00 0.00 C ATOM 246 C VAL A 19 0.593 19.267 -0.361 1.00 0.00 C ATOM 247 O VAL A 19 -0.524 18.845 -0.061 1.00 0.00 O ATOM 248 CB VAL A 19 2.426 18.935 1.299 1.00 0.00 C ATOM 249 CG1 VAL A 19 1.644 17.786 1.917 1.00 0.00 C ATOM 250 CG2 VAL A 19 3.411 18.422 0.259 1.00 0.00 C ATOM 0 H VAL A 19 -0.103 20.052 2.058 1.00 0.00 H new ATOM 0 HA VAL A 19 2.055 20.744 0.184 1.00 0.00 H new ATOM 0 HB VAL A 19 2.992 19.425 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.337 17.068 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.983 18.172 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.050 17.294 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.080 17.694 0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.865 17.948 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.995 19.255 -0.131 1.00 0.00 H new ATOM 260 N ASP A 20 1.108 19.148 -1.580 1.00 0.00 N ATOM 261 CA ASP A 20 0.374 18.499 -2.660 1.00 0.00 C ATOM 262 C ASP A 20 0.754 17.025 -2.766 1.00 0.00 C ATOM 263 O ASP A 20 1.871 16.687 -3.160 1.00 0.00 O ATOM 264 CB ASP A 20 0.647 19.206 -3.989 1.00 0.00 C ATOM 265 CG ASP A 20 2.014 19.860 -4.026 1.00 0.00 C ATOM 266 OD1 ASP A 20 3.025 19.127 -3.983 1.00 0.00 O ATOM 267 OD2 ASP A 20 2.074 21.105 -4.098 1.00 0.00 O ATOM 0 H ASP A 20 2.031 19.492 -1.845 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.690 18.566 -2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.570 18.485 -4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.119 19.962 -4.159 1.00 0.00 H new ATOM 272 N THR A 21 -0.183 16.150 -2.411 1.00 0.00 N ATOM 273 CA THR A 21 0.054 14.713 -2.464 1.00 0.00 C ATOM 274 C THR A 21 -1.106 13.989 -3.138 1.00 0.00 C ATOM 275 O THR A 21 -1.589 12.973 -2.639 1.00 0.00 O ATOM 276 CB THR A 21 0.263 14.126 -1.055 1.00 0.00 C ATOM 277 OG1 THR A 21 -0.995 14.019 -0.379 1.00 0.00 O ATOM 278 CG2 THR A 21 1.209 14.995 -0.241 1.00 0.00 C ATOM 0 H THR A 21 -1.113 16.412 -2.084 1.00 0.00 H new ATOM 0 HA THR A 21 0.961 14.563 -3.050 1.00 0.00 H new ATOM 0 HB THR A 21 0.705 13.135 -1.160 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.570 13.385 -0.857 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.341 14.560 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.174 15.052 -0.744 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.791 15.997 -0.145 1.00 0.00 H new ATOM 286 N SER A 22 -1.548 14.519 -4.274 1.00 0.00 N ATOM 287 CA SER A 22 -2.654 13.924 -5.015 1.00 0.00 C ATOM 288 C SER A 22 -2.171 13.349 -6.343 1.00 0.00 C ATOM 289 O SER A 22 -2.970 12.892 -7.161 1.00 0.00 O ATOM 290 CB SER A 22 -3.747 14.965 -5.264 1.00 0.00 C ATOM 291 OG SER A 22 -4.711 14.951 -4.226 1.00 0.00 O ATOM 0 H SER A 22 -1.157 15.359 -4.701 1.00 0.00 H new ATOM 0 HA SER A 22 -3.066 13.112 -4.416 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.300 15.956 -5.336 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.233 14.765 -6.219 1.00 0.00 H new ATOM 0 HG SER A 22 -5.397 15.626 -4.408 1.00 0.00 H new ATOM 297 N ARG A 23 -0.859 13.375 -6.550 1.00 0.00 N ATOM 298 CA ARG A 23 -0.268 12.858 -7.778 1.00 0.00 C ATOM 299 C ARG A 23 0.797 11.810 -7.470 1.00 0.00 C ATOM 300 O ARG A 23 1.554 11.403 -8.352 1.00 0.00 O ATOM 301 CB ARG A 23 0.343 13.998 -8.595 1.00 0.00 C ATOM 302 CG ARG A 23 1.442 14.751 -7.862 1.00 0.00 C ATOM 303 CD ARG A 23 1.506 16.206 -8.299 1.00 0.00 C ATOM 304 NE ARG A 23 2.190 16.364 -9.579 1.00 0.00 N ATOM 305 CZ ARG A 23 2.103 17.457 -10.329 1.00 0.00 C ATOM 306 NH1 ARG A 23 1.366 18.483 -9.928 1.00 0.00 N ATOM 307 NH2 ARG A 23 2.755 17.525 -11.483 1.00 0.00 N ATOM 0 H ARG A 23 -0.184 13.749 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.059 12.386 -8.361 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.748 13.593 -9.522 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.445 14.699 -8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.266 14.700 -6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.402 14.271 -8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.495 16.606 -8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.022 16.791 -7.538 1.00 0.00 H new ATOM 0 HE ARG A 23 2.766 15.593 -9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.864 18.435 -9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.301 19.321 -10.506 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.323 16.738 -11.795 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.688 18.365 -12.058 1.00 0.00 H new ATOM 321 N ILE A 24 0.851 11.380 -6.214 1.00 0.00 N ATOM 322 CA ILE A 24 1.823 10.380 -5.791 1.00 0.00 C ATOM 323 C ILE A 24 1.505 9.015 -6.392 1.00 0.00 C ATOM 324 O ILE A 24 0.362 8.558 -6.354 1.00 0.00 O ATOM 325 CB ILE A 24 1.870 10.254 -4.257 1.00 0.00 C ATOM 326 CG1 ILE A 24 2.655 11.420 -3.652 1.00 0.00 C ATOM 327 CG2 ILE A 24 2.489 8.925 -3.853 1.00 0.00 C ATOM 328 CD1 ILE A 24 2.835 11.314 -2.154 1.00 0.00 C ATOM 0 H ILE A 24 0.233 11.708 -5.472 1.00 0.00 H new ATOM 0 HA ILE A 24 2.796 10.715 -6.150 1.00 0.00 H new ATOM 0 HB ILE A 24 0.851 10.289 -3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.636 11.471 -4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.140 12.353 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.515 8.851 -2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.892 8.108 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.504 8.862 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.400 12.174 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.858 11.293 -1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.377 10.398 -1.917 1.00 0.00 H new ATOM 340 N LYS A 25 2.524 8.366 -6.946 1.00 0.00 N ATOM 341 CA LYS A 25 2.355 7.051 -7.553 1.00 0.00 C ATOM 342 C LYS A 25 3.161 5.998 -6.800 1.00 0.00 C ATOM 343 O LYS A 25 4.295 6.245 -6.390 1.00 0.00 O ATOM 344 CB LYS A 25 2.786 7.086 -9.021 1.00 0.00 C ATOM 345 CG LYS A 25 1.659 7.432 -9.978 1.00 0.00 C ATOM 346 CD LYS A 25 2.097 7.301 -11.427 1.00 0.00 C ATOM 347 CE LYS A 25 1.894 5.886 -11.945 1.00 0.00 C ATOM 348 NZ LYS A 25 0.494 5.657 -12.401 1.00 0.00 N ATOM 0 H LYS A 25 3.476 8.730 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 25 1.300 6.784 -7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.588 7.815 -9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.197 6.114 -9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.809 6.775 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.321 8.451 -9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.532 8.000 -12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.148 7.575 -11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.580 5.700 -12.771 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.141 5.173 -11.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.397 4.681 -12.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.159 5.810 -11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.266 6.320 -13.169 1.00 0.00 H new ATOM 362 N VAL A 26 2.568 4.821 -6.623 1.00 0.00 N ATOM 363 CA VAL A 26 3.232 3.728 -5.922 1.00 0.00 C ATOM 364 C VAL A 26 3.135 2.429 -6.713 1.00 0.00 C ATOM 365 O VAL A 26 2.043 1.984 -7.065 1.00 0.00 O ATOM 366 CB VAL A 26 2.628 3.511 -4.522 1.00 0.00 C ATOM 367 CG1 VAL A 26 2.680 4.797 -3.713 1.00 0.00 C ATOM 368 CG2 VAL A 26 1.201 2.997 -4.632 1.00 0.00 C ATOM 0 H VAL A 26 1.629 4.600 -6.955 1.00 0.00 H new ATOM 0 HA VAL A 26 4.280 4.008 -5.818 1.00 0.00 H new ATOM 0 HB VAL A 26 3.221 2.759 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.249 4.624 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.716 5.117 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.112 5.573 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.790 2.849 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.593 3.724 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.196 2.049 -5.170 1.00 0.00 H new ATOM 378 N PHE A 27 4.285 1.823 -6.989 1.00 0.00 N ATOM 379 CA PHE A 27 4.331 0.573 -7.739 1.00 0.00 C ATOM 380 C PHE A 27 5.174 -0.469 -7.009 1.00 0.00 C ATOM 381 O PHE A 27 5.928 -0.143 -6.094 1.00 0.00 O ATOM 382 CB PHE A 27 4.898 0.815 -9.139 1.00 0.00 C ATOM 383 CG PHE A 27 6.043 1.786 -9.163 1.00 0.00 C ATOM 384 CD1 PHE A 27 7.346 1.345 -8.996 1.00 0.00 C ATOM 385 CD2 PHE A 27 5.817 3.140 -9.353 1.00 0.00 C ATOM 386 CE1 PHE A 27 8.402 2.237 -9.017 1.00 0.00 C ATOM 387 CE2 PHE A 27 6.869 4.036 -9.374 1.00 0.00 C ATOM 388 CZ PHE A 27 8.163 3.584 -9.207 1.00 0.00 C ATOM 0 H PHE A 27 5.198 2.177 -6.704 1.00 0.00 H new ATOM 0 HA PHE A 27 3.313 0.193 -7.827 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.229 -0.135 -9.557 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.103 1.187 -9.785 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.539 0.293 -8.848 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.807 3.499 -9.486 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.413 1.881 -8.885 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.679 5.089 -9.521 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.987 4.282 -9.225 1.00 0.00 H new ATOM 398 N GLY A 28 5.038 -1.726 -7.422 1.00 0.00 N ATOM 399 CA GLY A 28 5.791 -2.797 -6.797 1.00 0.00 C ATOM 400 C GLY A 28 4.897 -3.887 -6.241 1.00 0.00 C ATOM 401 O GLY A 28 3.681 -3.726 -6.130 1.00 0.00 O ATOM 0 H GLY A 28 4.420 -2.021 -8.178 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.475 -3.230 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.401 -2.386 -5.993 1.00 0.00 H new ATOM 405 N PRO A 29 5.502 -5.029 -5.882 1.00 0.00 N ATOM 406 CA PRO A 29 4.771 -6.173 -5.330 1.00 0.00 C ATOM 407 C PRO A 29 4.240 -5.899 -3.927 1.00 0.00 C ATOM 408 O PRO A 29 3.190 -6.410 -3.540 1.00 0.00 O ATOM 409 CB PRO A 29 5.824 -7.284 -5.296 1.00 0.00 C ATOM 410 CG PRO A 29 7.128 -6.568 -5.214 1.00 0.00 C ATOM 411 CD PRO A 29 6.948 -5.291 -5.987 1.00 0.00 C ATOM 0 HA PRO A 29 3.891 -6.419 -5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.679 -7.941 -4.439 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.770 -7.908 -6.188 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.396 -6.362 -4.178 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.932 -7.171 -5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.536 -4.478 -5.561 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.262 -5.402 -7.025 1.00 0.00 H new ATOM 419 N GLY A 30 4.972 -5.088 -3.170 1.00 0.00 N ATOM 420 CA GLY A 30 4.558 -4.760 -1.818 1.00 0.00 C ATOM 421 C GLY A 30 3.238 -4.015 -1.781 1.00 0.00 C ATOM 422 O GLY A 30 2.545 -4.019 -0.763 1.00 0.00 O ATOM 0 H GLY A 30 5.844 -4.652 -3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.471 -5.677 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.328 -4.153 -1.343 1.00 0.00 H new ATOM 426 N ILE A 31 2.891 -3.374 -2.891 1.00 0.00 N ATOM 427 CA ILE A 31 1.646 -2.621 -2.981 1.00 0.00 C ATOM 428 C ILE A 31 0.700 -3.243 -4.001 1.00 0.00 C ATOM 429 O ILE A 31 -0.493 -2.940 -4.021 1.00 0.00 O ATOM 430 CB ILE A 31 1.904 -1.152 -3.365 1.00 0.00 C ATOM 431 CG1 ILE A 31 0.665 -0.302 -3.075 1.00 0.00 C ATOM 432 CG2 ILE A 31 2.293 -1.048 -4.832 1.00 0.00 C ATOM 433 CD1 ILE A 31 0.364 -0.155 -1.600 1.00 0.00 C ATOM 0 H ILE A 31 3.454 -3.361 -3.741 1.00 0.00 H new ATOM 0 HA ILE A 31 1.184 -2.655 -1.994 1.00 0.00 H new ATOM 0 HB ILE A 31 2.730 -0.774 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.804 0.688 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.197 -0.750 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.472 -0.004 -5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.200 -1.626 -5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.486 -1.440 -5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.527 0.459 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.193 -1.139 -1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.209 0.321 -1.102 1.00 0.00 H new ATOM 445 N GLU A 32 1.239 -4.116 -4.846 1.00 0.00 N ATOM 446 CA GLU A 32 0.441 -4.782 -5.869 1.00 0.00 C ATOM 447 C GLU A 32 -0.088 -6.119 -5.360 1.00 0.00 C ATOM 448 O GLU A 32 -1.250 -6.462 -5.577 1.00 0.00 O ATOM 449 CB GLU A 32 1.273 -4.998 -7.135 1.00 0.00 C ATOM 450 CG GLU A 32 1.655 -3.708 -7.840 1.00 0.00 C ATOM 451 CD GLU A 32 0.596 -3.243 -8.822 1.00 0.00 C ATOM 452 OE1 GLU A 32 -0.059 -4.109 -9.440 1.00 0.00 O ATOM 453 OE2 GLU A 32 0.423 -2.016 -8.972 1.00 0.00 O ATOM 0 H GLU A 32 2.225 -4.379 -4.842 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.408 -4.141 -6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.181 -5.542 -6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.711 -5.627 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.823 -2.928 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.597 -3.853 -8.369 1.00 0.00 H new ATOM 460 N GLY A 33 0.773 -6.872 -4.682 1.00 0.00 N ATOM 461 CA GLY A 33 0.375 -8.163 -4.154 1.00 0.00 C ATOM 462 C GLY A 33 0.870 -9.316 -5.005 1.00 0.00 C ATOM 463 O GLY A 33 0.131 -10.264 -5.270 1.00 0.00 O ATOM 0 H GLY A 33 1.740 -6.610 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.761 -8.272 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.712 -8.205 -4.088 1.00 0.00 H new ATOM 467 N LYS A 34 2.123 -9.234 -5.437 1.00 0.00 N ATOM 468 CA LYS A 34 2.717 -10.278 -6.264 1.00 0.00 C ATOM 469 C LYS A 34 3.480 -11.283 -5.407 1.00 0.00 C ATOM 470 O LYS A 34 3.052 -12.427 -5.248 1.00 0.00 O ATOM 471 CB LYS A 34 3.657 -9.661 -7.303 1.00 0.00 C ATOM 472 CG LYS A 34 3.077 -8.444 -8.002 1.00 0.00 C ATOM 473 CD LYS A 34 1.836 -8.800 -8.803 1.00 0.00 C ATOM 474 CE LYS A 34 2.193 -9.280 -10.201 1.00 0.00 C ATOM 475 NZ LYS A 34 2.904 -10.588 -10.174 1.00 0.00 N ATOM 0 H LYS A 34 2.748 -8.455 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 34 1.911 -10.802 -6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.590 -9.379 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.904 -10.415 -8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.828 -7.683 -7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.827 -8.012 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.276 -9.577 -8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.184 -7.929 -8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.284 -9.373 -10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.820 -8.536 -10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.747 -11.087 -11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.923 -10.427 -10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.539 -11.165 -9.389 1.00 0.00 H new ATOM 489 N ASP A 35 4.609 -10.850 -4.858 1.00 0.00 N ATOM 490 CA ASP A 35 5.429 -11.712 -4.015 1.00 0.00 C ATOM 491 C ASP A 35 5.247 -11.362 -2.541 1.00 0.00 C ATOM 492 O ASP A 35 6.153 -11.555 -1.730 1.00 0.00 O ATOM 493 CB ASP A 35 6.903 -11.588 -4.403 1.00 0.00 C ATOM 494 CG ASP A 35 7.105 -11.558 -5.905 1.00 0.00 C ATOM 495 OD1 ASP A 35 6.886 -12.603 -6.553 1.00 0.00 O ATOM 496 OD2 ASP A 35 7.484 -10.491 -6.432 1.00 0.00 O ATOM 0 H ASP A 35 4.978 -9.907 -4.982 1.00 0.00 H new ATOM 0 HA ASP A 35 5.107 -12.742 -4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.316 -10.679 -3.965 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.459 -12.426 -3.981 1.00 0.00 H new ATOM 501 N VAL A 36 4.070 -10.846 -2.201 1.00 0.00 N ATOM 502 CA VAL A 36 3.769 -10.470 -0.825 1.00 0.00 C ATOM 503 C VAL A 36 3.302 -11.674 -0.015 1.00 0.00 C ATOM 504 O VAL A 36 2.685 -11.525 1.039 1.00 0.00 O ATOM 505 CB VAL A 36 2.687 -9.375 -0.766 1.00 0.00 C ATOM 506 CG1 VAL A 36 2.487 -8.897 0.664 1.00 0.00 C ATOM 507 CG2 VAL A 36 3.054 -8.215 -1.679 1.00 0.00 C ATOM 0 H VAL A 36 3.309 -10.679 -2.860 1.00 0.00 H new ATOM 0 HA VAL A 36 4.692 -10.082 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 36 1.746 -9.799 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.719 -8.124 0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.175 -9.735 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.423 -8.489 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.279 -7.450 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.006 -7.790 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.140 -8.573 -2.705 1.00 0.00 H new ATOM 517 N PHE A 37 3.602 -12.868 -0.515 1.00 0.00 N ATOM 518 CA PHE A 37 3.213 -14.100 0.162 1.00 0.00 C ATOM 519 C PHE A 37 3.558 -14.037 1.647 1.00 0.00 C ATOM 520 O PHE A 37 4.364 -13.210 2.073 1.00 0.00 O ATOM 521 CB PHE A 37 3.906 -15.302 -0.483 1.00 0.00 C ATOM 522 CG PHE A 37 3.947 -15.237 -1.983 1.00 0.00 C ATOM 523 CD1 PHE A 37 2.867 -14.744 -2.698 1.00 0.00 C ATOM 524 CD2 PHE A 37 5.065 -15.668 -2.678 1.00 0.00 C ATOM 525 CE1 PHE A 37 2.901 -14.682 -4.079 1.00 0.00 C ATOM 526 CE2 PHE A 37 5.105 -15.608 -4.059 1.00 0.00 C ATOM 527 CZ PHE A 37 4.022 -15.116 -4.760 1.00 0.00 C ATOM 0 H PHE A 37 4.113 -13.009 -1.386 1.00 0.00 H new ATOM 0 HA PHE A 37 2.134 -14.215 0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.925 -15.371 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.391 -16.214 -0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.988 -14.404 -2.170 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.915 -16.055 -2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.053 -14.295 -4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.983 -15.946 -4.589 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.051 -15.071 -5.839 1.00 0.00 H new ATOM 537 N ARG A 38 2.941 -14.916 2.429 1.00 0.00 N ATOM 538 CA ARG A 38 3.180 -14.960 3.867 1.00 0.00 C ATOM 539 C ARG A 38 4.629 -15.333 4.166 1.00 0.00 C ATOM 540 O ARG A 38 5.188 -16.237 3.545 1.00 0.00 O ATOM 541 CB ARG A 38 2.236 -15.963 4.532 1.00 0.00 C ATOM 542 CG ARG A 38 1.942 -15.648 5.990 1.00 0.00 C ATOM 543 CD ARG A 38 0.827 -16.527 6.535 1.00 0.00 C ATOM 544 NE ARG A 38 0.888 -16.648 7.990 1.00 0.00 N ATOM 545 CZ ARG A 38 1.705 -17.480 8.625 1.00 0.00 C ATOM 546 NH1 ARG A 38 2.527 -18.261 7.937 1.00 0.00 N ATOM 547 NH2 ARG A 38 1.702 -17.533 9.950 1.00 0.00 N ATOM 0 H ARG A 38 2.272 -15.608 2.091 1.00 0.00 H new ATOM 0 HA ARG A 38 2.988 -13.967 4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.298 -15.988 3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.673 -16.960 4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.844 -15.793 6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.661 -14.599 6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.138 -16.110 6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.894 -17.518 6.086 1.00 0.00 H new ATOM 0 HE ARG A 38 0.269 -16.061 8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.533 -18.223 6.918 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.154 -18.899 8.427 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.071 -16.934 10.483 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.330 -18.173 10.436 1.00 0.00 H new ATOM 561 N GLU A 39 5.231 -14.630 5.120 1.00 0.00 N ATOM 562 CA GLU A 39 6.616 -14.888 5.499 1.00 0.00 C ATOM 563 C GLU A 39 7.564 -14.570 4.347 1.00 0.00 C ATOM 564 O GLU A 39 8.619 -15.189 4.208 1.00 0.00 O ATOM 565 CB GLU A 39 6.787 -16.346 5.929 1.00 0.00 C ATOM 566 CG GLU A 39 5.809 -16.783 7.006 1.00 0.00 C ATOM 567 CD GLU A 39 6.279 -18.014 7.757 1.00 0.00 C ATOM 568 OE1 GLU A 39 7.491 -18.313 7.705 1.00 0.00 O ATOM 569 OE2 GLU A 39 5.437 -18.678 8.395 1.00 0.00 O ATOM 0 H GLU A 39 4.783 -13.879 5.644 1.00 0.00 H new ATOM 0 HA GLU A 39 6.863 -14.238 6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.666 -16.989 5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.804 -16.491 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.663 -15.965 7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.840 -16.988 6.550 1.00 0.00 H new ATOM 576 N ALA A 40 7.179 -13.602 3.521 1.00 0.00 N ATOM 577 CA ALA A 40 7.994 -13.201 2.382 1.00 0.00 C ATOM 578 C ALA A 40 8.401 -11.735 2.487 1.00 0.00 C ATOM 579 O ALA A 40 7.612 -10.889 2.910 1.00 0.00 O ATOM 580 CB ALA A 40 7.243 -13.451 1.082 1.00 0.00 C ATOM 0 H ALA A 40 6.307 -13.081 3.620 1.00 0.00 H new ATOM 0 HA ALA A 40 8.902 -13.804 2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.864 -13.147 0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.008 -14.512 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.319 -12.873 1.079 1.00 0.00 H new ATOM 586 N THR A 41 9.638 -11.440 2.099 1.00 0.00 N ATOM 587 CA THR A 41 10.150 -10.076 2.152 1.00 0.00 C ATOM 588 C THR A 41 9.794 -9.306 0.886 1.00 0.00 C ATOM 589 O THR A 41 10.439 -9.461 -0.152 1.00 0.00 O ATOM 590 CB THR A 41 11.679 -10.057 2.337 1.00 0.00 C ATOM 591 OG1 THR A 41 12.044 -10.838 3.481 1.00 0.00 O ATOM 592 CG2 THR A 41 12.186 -8.633 2.506 1.00 0.00 C ATOM 0 H THR A 41 10.303 -12.127 1.745 1.00 0.00 H new ATOM 0 HA THR A 41 9.681 -9.595 3.011 1.00 0.00 H new ATOM 0 HB THR A 41 12.136 -10.485 1.445 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.018 -10.822 3.591 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.268 -8.645 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.933 -8.049 1.621 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.721 -8.183 3.383 1.00 0.00 H new ATOM 600 N THR A 42 8.761 -8.473 0.976 1.00 0.00 N ATOM 601 CA THR A 42 8.318 -7.678 -0.162 1.00 0.00 C ATOM 602 C THR A 42 8.342 -6.189 0.164 1.00 0.00 C ATOM 603 O THR A 42 8.139 -5.792 1.311 1.00 0.00 O ATOM 604 CB THR A 42 6.896 -8.073 -0.604 1.00 0.00 C ATOM 605 OG1 THR A 42 6.606 -7.506 -1.887 1.00 0.00 O ATOM 606 CG2 THR A 42 5.865 -7.601 0.410 1.00 0.00 C ATOM 0 H THR A 42 8.216 -8.332 1.826 1.00 0.00 H new ATOM 0 HA THR A 42 9.013 -7.879 -0.977 1.00 0.00 H new ATOM 0 HB THR A 42 6.848 -9.160 -0.669 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.879 -8.132 -2.590 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.868 -7.891 0.077 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.071 -8.057 1.378 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.916 -6.516 0.502 1.00 0.00 H new ATOM 614 N ASP A 43 8.591 -5.370 -0.852 1.00 0.00 N ATOM 615 CA ASP A 43 8.640 -3.924 -0.673 1.00 0.00 C ATOM 616 C ASP A 43 8.211 -3.204 -1.948 1.00 0.00 C ATOM 617 O ASP A 43 8.229 -3.781 -3.035 1.00 0.00 O ATOM 618 CB ASP A 43 10.050 -3.484 -0.275 1.00 0.00 C ATOM 619 CG ASP A 43 11.043 -3.626 -1.412 1.00 0.00 C ATOM 620 OD1 ASP A 43 11.116 -4.723 -2.003 1.00 0.00 O ATOM 621 OD2 ASP A 43 11.747 -2.638 -1.710 1.00 0.00 O ATOM 0 H ASP A 43 8.762 -5.683 -1.808 1.00 0.00 H new ATOM 0 HA ASP A 43 7.946 -3.658 0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.024 -2.445 0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.387 -4.078 0.574 1.00 0.00 H new ATOM 626 N PHE A 44 7.823 -1.940 -1.806 1.00 0.00 N ATOM 627 CA PHE A 44 7.387 -1.142 -2.946 1.00 0.00 C ATOM 628 C PHE A 44 8.196 0.148 -3.048 1.00 0.00 C ATOM 629 O PHE A 44 9.003 0.460 -2.172 1.00 0.00 O ATOM 630 CB PHE A 44 5.897 -0.815 -2.826 1.00 0.00 C ATOM 631 CG PHE A 44 5.541 -0.097 -1.556 1.00 0.00 C ATOM 632 CD1 PHE A 44 5.617 1.285 -1.481 1.00 0.00 C ATOM 633 CD2 PHE A 44 5.133 -0.803 -0.436 1.00 0.00 C ATOM 634 CE1 PHE A 44 5.290 1.949 -0.313 1.00 0.00 C ATOM 635 CE2 PHE A 44 4.804 -0.144 0.734 1.00 0.00 C ATOM 636 CZ PHE A 44 4.884 1.233 0.796 1.00 0.00 C ATOM 0 H PHE A 44 7.802 -1.447 -0.913 1.00 0.00 H new ATOM 0 HA PHE A 44 7.552 -1.726 -3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.598 -0.202 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.324 -1.741 -2.883 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.935 1.850 -2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.071 -1.880 -0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.352 3.026 -0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.485 -0.706 1.599 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.630 1.749 1.710 1.00 0.00 H new ATOM 646 N THR A 45 7.974 0.895 -4.125 1.00 0.00 N ATOM 647 CA THR A 45 8.682 2.149 -4.344 1.00 0.00 C ATOM 648 C THR A 45 7.709 3.317 -4.462 1.00 0.00 C ATOM 649 O THR A 45 6.661 3.203 -5.098 1.00 0.00 O ATOM 650 CB THR A 45 9.551 2.090 -5.615 1.00 0.00 C ATOM 651 OG1 THR A 45 10.516 1.038 -5.499 1.00 0.00 O ATOM 652 CG2 THR A 45 10.263 3.414 -5.846 1.00 0.00 C ATOM 0 H THR A 45 7.309 0.653 -4.859 1.00 0.00 H new ATOM 0 HA THR A 45 9.327 2.302 -3.479 1.00 0.00 H new ATOM 0 HB THR A 45 8.899 1.893 -6.466 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.323 0.503 -4.701 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.870 3.348 -6.749 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.526 4.208 -5.962 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.904 3.636 -4.993 1.00 0.00 H new ATOM 660 N VAL A 46 8.062 4.440 -3.846 1.00 0.00 N ATOM 661 CA VAL A 46 7.221 5.630 -3.883 1.00 0.00 C ATOM 662 C VAL A 46 7.853 6.724 -4.736 1.00 0.00 C ATOM 663 O VAL A 46 8.968 7.171 -4.464 1.00 0.00 O ATOM 664 CB VAL A 46 6.964 6.181 -2.468 1.00 0.00 C ATOM 665 CG1 VAL A 46 6.046 7.392 -2.525 1.00 0.00 C ATOM 666 CG2 VAL A 46 6.378 5.099 -1.574 1.00 0.00 C ATOM 0 H VAL A 46 8.926 4.551 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 46 6.271 5.332 -4.326 1.00 0.00 H new ATOM 0 HB VAL A 46 7.916 6.497 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.876 7.767 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.510 8.172 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.093 7.106 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.203 5.505 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.435 4.751 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.076 4.264 -1.508 1.00 0.00 H new ATOM 676 N ASP A 47 7.134 7.152 -5.768 1.00 0.00 N ATOM 677 CA ASP A 47 7.624 8.196 -6.661 1.00 0.00 C ATOM 678 C ASP A 47 7.121 9.567 -6.221 1.00 0.00 C ATOM 679 O ASP A 47 5.917 9.821 -6.202 1.00 0.00 O ATOM 680 CB ASP A 47 7.185 7.915 -8.098 1.00 0.00 C ATOM 681 CG ASP A 47 8.194 7.076 -8.858 1.00 0.00 C ATOM 682 OD1 ASP A 47 8.873 6.243 -8.222 1.00 0.00 O ATOM 683 OD2 ASP A 47 8.305 7.253 -10.089 1.00 0.00 O ATOM 0 H ASP A 47 6.210 6.792 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 47 8.713 8.197 -6.616 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.224 7.401 -8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.035 8.860 -8.620 1.00 0.00 H new ATOM 688 N SER A 48 8.051 10.448 -5.867 1.00 0.00 N ATOM 689 CA SER A 48 7.702 11.792 -5.423 1.00 0.00 C ATOM 690 C SER A 48 8.513 12.842 -6.177 1.00 0.00 C ATOM 691 O SER A 48 9.740 12.765 -6.242 1.00 0.00 O ATOM 692 CB SER A 48 7.939 11.933 -3.918 1.00 0.00 C ATOM 693 OG SER A 48 9.068 11.181 -3.507 1.00 0.00 O ATOM 0 H SER A 48 9.052 10.255 -5.879 1.00 0.00 H new ATOM 0 HA SER A 48 6.645 11.954 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.087 12.983 -3.667 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.056 11.596 -3.374 1.00 0.00 H new ATOM 0 HG SER A 48 9.728 11.159 -4.231 1.00 0.00 H new ATOM 699 N ARG A 49 7.818 13.821 -6.746 1.00 0.00 N ATOM 700 CA ARG A 49 8.472 14.886 -7.497 1.00 0.00 C ATOM 701 C ARG A 49 8.350 16.220 -6.767 1.00 0.00 C ATOM 702 O ARG A 49 9.319 16.746 -6.218 1.00 0.00 O ATOM 703 CB ARG A 49 7.863 15.001 -8.896 1.00 0.00 C ATOM 704 CG ARG A 49 8.647 14.258 -9.964 1.00 0.00 C ATOM 705 CD ARG A 49 7.855 14.140 -11.257 1.00 0.00 C ATOM 706 NE ARG A 49 8.684 13.679 -12.367 1.00 0.00 N ATOM 707 CZ ARG A 49 9.660 14.402 -12.905 1.00 0.00 C ATOM 708 NH1 ARG A 49 9.928 15.613 -12.436 1.00 0.00 N ATOM 709 NH2 ARG A 49 10.370 13.913 -13.914 1.00 0.00 N ATOM 0 H ARG A 49 6.802 13.899 -6.701 1.00 0.00 H new ATOM 0 HA ARG A 49 9.529 14.636 -7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.843 14.616 -8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.800 16.054 -9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.585 14.779 -10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.904 13.263 -9.602 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.026 13.448 -11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.422 15.109 -11.506 1.00 0.00 H new ATOM 0 HE ARG A 49 8.504 12.751 -12.750 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.384 15.991 -11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.678 16.166 -12.851 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.166 12.982 -14.277 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.119 14.469 -14.327 1.00 0.00 H new ATOM 723 N PRO A 50 7.132 16.782 -6.759 1.00 0.00 N ATOM 724 CA PRO A 50 6.855 18.062 -6.099 1.00 0.00 C ATOM 725 C PRO A 50 6.925 17.958 -4.580 1.00 0.00 C ATOM 726 O PRO A 50 6.647 18.924 -3.868 1.00 0.00 O ATOM 727 CB PRO A 50 5.429 18.391 -6.548 1.00 0.00 C ATOM 728 CG PRO A 50 4.817 17.069 -6.862 1.00 0.00 C ATOM 729 CD PRO A 50 5.932 16.211 -7.392 1.00 0.00 C ATOM 0 HA PRO A 50 7.587 18.825 -6.365 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.876 18.907 -5.763 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.429 19.045 -7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.372 16.624 -5.972 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.021 17.173 -7.599 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.796 15.164 -7.123 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.991 16.256 -8.479 1.00 0.00 H new ATOM 737 N LEU A 51 7.296 16.781 -4.088 1.00 0.00 N ATOM 738 CA LEU A 51 7.403 16.551 -2.652 1.00 0.00 C ATOM 739 C LEU A 51 8.862 16.415 -2.229 1.00 0.00 C ATOM 740 O LEU A 51 9.278 16.959 -1.205 1.00 0.00 O ATOM 741 CB LEU A 51 6.626 15.294 -2.257 1.00 0.00 C ATOM 742 CG LEU A 51 5.309 15.059 -2.998 1.00 0.00 C ATOM 743 CD1 LEU A 51 4.525 13.930 -2.348 1.00 0.00 C ATOM 744 CD2 LEU A 51 4.480 16.336 -3.030 1.00 0.00 C ATOM 0 H LEU A 51 7.528 15.971 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 51 6.974 17.412 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.269 14.428 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.415 15.342 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 51 5.538 14.771 -4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.591 13.777 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.115 13.014 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.306 14.188 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.546 16.150 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.261 16.653 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.039 17.120 -3.541 1.00 0.00 H new ATOM 756 N THR A 52 9.638 15.685 -3.025 1.00 0.00 N ATOM 757 CA THR A 52 11.051 15.477 -2.734 1.00 0.00 C ATOM 758 C THR A 52 11.883 15.499 -4.011 1.00 0.00 C ATOM 759 O THR A 52 11.348 15.383 -5.113 1.00 0.00 O ATOM 760 CB THR A 52 11.284 14.141 -2.005 1.00 0.00 C ATOM 761 OG1 THR A 52 12.626 14.081 -1.510 1.00 0.00 O ATOM 762 CG2 THR A 52 11.029 12.965 -2.936 1.00 0.00 C ATOM 0 H THR A 52 9.311 15.228 -3.876 1.00 0.00 H new ATOM 0 HA THR A 52 11.364 16.295 -2.085 1.00 0.00 H new ATOM 0 HB THR A 52 10.586 14.081 -1.170 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.611 13.983 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.200 12.032 -2.399 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.998 12.997 -3.289 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.706 13.022 -3.788 1.00 0.00 H new ATOM 770 N GLN A 53 13.195 15.647 -3.854 1.00 0.00 N ATOM 771 CA GLN A 53 14.101 15.683 -4.996 1.00 0.00 C ATOM 772 C GLN A 53 15.293 14.757 -4.775 1.00 0.00 C ATOM 773 O GLN A 53 15.776 14.117 -5.709 1.00 0.00 O ATOM 774 CB GLN A 53 14.589 17.112 -5.242 1.00 0.00 C ATOM 775 CG GLN A 53 13.467 18.097 -5.531 1.00 0.00 C ATOM 776 CD GLN A 53 12.851 17.893 -6.901 1.00 0.00 C ATOM 777 OE1 GLN A 53 13.470 18.192 -7.923 1.00 0.00 O ATOM 778 NE2 GLN A 53 11.626 17.382 -6.929 1.00 0.00 N ATOM 0 H GLN A 53 13.654 15.744 -2.948 1.00 0.00 H new ATOM 0 HA GLN A 53 13.554 15.337 -5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.144 17.453 -4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.285 17.110 -6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.693 17.994 -4.770 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.853 19.114 -5.458 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.151 17.149 -6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.160 17.222 -7.822 1.00 0.00 H new ATOM 787 N VAL A 54 15.762 14.691 -3.533 1.00 0.00 N ATOM 788 CA VAL A 54 16.897 13.843 -3.189 1.00 0.00 C ATOM 789 C VAL A 54 16.573 12.948 -1.999 1.00 0.00 C ATOM 790 O VAL A 54 17.415 12.723 -1.130 1.00 0.00 O ATOM 791 CB VAL A 54 18.146 14.683 -2.861 1.00 0.00 C ATOM 792 CG1 VAL A 54 18.488 15.607 -4.019 1.00 0.00 C ATOM 793 CG2 VAL A 54 17.933 15.475 -1.580 1.00 0.00 C ATOM 0 H VAL A 54 15.374 15.215 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 54 17.104 13.222 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 54 18.987 14.007 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 54 19.373 16.192 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 54 18.686 15.014 -4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 54 17.651 16.279 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 54 18.825 16.063 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.080 16.142 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.741 14.788 -0.755 1.00 0.00 H new ATOM 803 N GLY A 55 15.345 12.438 -1.966 1.00 0.00 N ATOM 804 CA GLY A 55 14.931 11.572 -0.877 1.00 0.00 C ATOM 805 C GLY A 55 14.608 12.343 0.387 1.00 0.00 C ATOM 806 O GLY A 55 14.927 13.526 0.499 1.00 0.00 O ATOM 0 H GLY A 55 14.630 12.609 -2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.055 11.001 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.723 10.853 -0.668 1.00 0.00 H new ATOM 810 N GLY A 56 13.970 11.672 1.341 1.00 0.00 N ATOM 811 CA GLY A 56 13.612 12.319 2.590 1.00 0.00 C ATOM 812 C GLY A 56 13.165 11.330 3.648 1.00 0.00 C ATOM 813 O GLY A 56 13.249 10.118 3.449 1.00 0.00 O ATOM 0 H GLY A 56 13.695 10.692 1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 56 14.468 12.882 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.813 13.037 2.407 1.00 0.00 H new ATOM 817 N ASP A 57 12.690 11.847 4.776 1.00 0.00 N ATOM 818 CA ASP A 57 12.228 11.000 5.870 1.00 0.00 C ATOM 819 C ASP A 57 10.851 11.442 6.355 1.00 0.00 C ATOM 820 O ASP A 57 10.564 11.413 7.552 1.00 0.00 O ATOM 821 CB ASP A 57 13.227 11.037 7.028 1.00 0.00 C ATOM 822 CG ASP A 57 13.125 9.814 7.919 1.00 0.00 C ATOM 823 OD1 ASP A 57 13.761 8.790 7.594 1.00 0.00 O ATOM 824 OD2 ASP A 57 12.409 9.882 8.940 1.00 0.00 O ATOM 0 H ASP A 57 12.615 12.848 4.957 1.00 0.00 H new ATOM 0 HA ASP A 57 12.151 9.978 5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.239 11.109 6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.055 11.933 7.624 1.00 0.00 H new ATOM 829 N HIS A 58 10.003 11.853 5.418 1.00 0.00 N ATOM 830 CA HIS A 58 8.655 12.303 5.750 1.00 0.00 C ATOM 831 C HIS A 58 7.615 11.285 5.291 1.00 0.00 C ATOM 832 O HIS A 58 6.473 11.640 4.999 1.00 0.00 O ATOM 833 CB HIS A 58 8.375 13.661 5.107 1.00 0.00 C ATOM 834 CG HIS A 58 8.806 14.822 5.949 1.00 0.00 C ATOM 835 ND1 HIS A 58 8.138 16.029 5.967 1.00 0.00 N ATOM 836 CD2 HIS A 58 9.844 14.956 6.808 1.00 0.00 C ATOM 837 CE1 HIS A 58 8.748 16.855 6.798 1.00 0.00 C ATOM 838 NE2 HIS A 58 9.786 16.228 7.322 1.00 0.00 N ATOM 0 H HIS A 58 10.225 11.884 4.423 1.00 0.00 H new ATOM 0 HA HIS A 58 8.588 12.402 6.833 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.886 13.711 4.145 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.307 13.745 4.906 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.581 14.203 7.045 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.449 17.870 7.013 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.438 16.624 7.999 1.00 0.00 H new ATOM 846 N ILE A 59 8.018 10.021 5.230 1.00 0.00 N ATOM 847 CA ILE A 59 7.120 8.953 4.807 1.00 0.00 C ATOM 848 C ILE A 59 6.831 7.991 5.954 1.00 0.00 C ATOM 849 O ILE A 59 7.696 7.724 6.789 1.00 0.00 O ATOM 850 CB ILE A 59 7.706 8.160 3.623 1.00 0.00 C ATOM 851 CG1 ILE A 59 7.828 9.058 2.390 1.00 0.00 C ATOM 852 CG2 ILE A 59 6.841 6.947 3.319 1.00 0.00 C ATOM 853 CD1 ILE A 59 6.503 9.606 1.909 1.00 0.00 C ATOM 0 H ILE A 59 8.960 9.711 5.468 1.00 0.00 H new ATOM 0 HA ILE A 59 6.191 9.429 4.492 1.00 0.00 H new ATOM 0 HB ILE A 59 8.702 7.812 3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.494 9.890 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.293 8.492 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.268 6.397 2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.801 6.300 4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.833 7.274 3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.665 10.233 1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.841 8.780 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.046 10.200 2.701 1.00 0.00 H new ATOM 865 N LYS A 60 5.608 7.472 5.989 1.00 0.00 N ATOM 866 CA LYS A 60 5.203 6.537 7.032 1.00 0.00 C ATOM 867 C LYS A 60 4.051 5.657 6.557 1.00 0.00 C ATOM 868 O LYS A 60 3.104 6.141 5.938 1.00 0.00 O ATOM 869 CB LYS A 60 4.792 7.296 8.296 1.00 0.00 C ATOM 870 CG LYS A 60 4.546 6.396 9.494 1.00 0.00 C ATOM 871 CD LYS A 60 5.817 6.179 10.299 1.00 0.00 C ATOM 872 CE LYS A 60 5.624 5.115 11.368 1.00 0.00 C ATOM 873 NZ LYS A 60 4.852 5.631 12.532 1.00 0.00 N ATOM 0 H LYS A 60 4.880 7.683 5.307 1.00 0.00 H new ATOM 0 HA LYS A 60 6.055 5.897 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.571 8.016 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.886 7.866 8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.781 6.839 10.132 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.160 5.435 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.626 5.883 9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.117 7.117 10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.104 4.259 10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.597 4.760 11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.742 4.875 13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.360 6.432 12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.913 5.946 12.214 1.00 0.00 H new ATOM 887 N ALA A 61 4.138 4.365 6.853 1.00 0.00 N ATOM 888 CA ALA A 61 3.101 3.419 6.459 1.00 0.00 C ATOM 889 C ALA A 61 2.708 2.518 7.625 1.00 0.00 C ATOM 890 O ALA A 61 3.447 2.393 8.602 1.00 0.00 O ATOM 891 CB ALA A 61 3.570 2.583 5.277 1.00 0.00 C ATOM 0 H ALA A 61 4.916 3.949 7.365 1.00 0.00 H new ATOM 0 HA ALA A 61 2.220 3.987 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.786 1.881 4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.793 3.237 4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.468 2.031 5.555 1.00 0.00 H new ATOM 897 N HIS A 62 1.541 1.891 7.515 1.00 0.00 N ATOM 898 CA HIS A 62 1.050 1.001 8.561 1.00 0.00 C ATOM 899 C HIS A 62 0.126 -0.064 7.978 1.00 0.00 C ATOM 900 O HIS A 62 -0.997 0.232 7.570 1.00 0.00 O ATOM 901 CB HIS A 62 0.313 1.800 9.636 1.00 0.00 C ATOM 902 CG HIS A 62 -0.227 0.953 10.747 1.00 0.00 C ATOM 903 ND1 HIS A 62 -0.961 -0.184 10.717 1.00 0.00 N flip ATOM 904 CD2 HIS A 62 -0.032 1.247 12.080 1.00 0.00 C flip ATOM 905 CE1 HIS A 62 -1.193 -0.553 12.019 1.00 0.00 C flip ATOM 906 NE2 HIS A 62 -0.621 0.326 12.822 1.00 0.00 N flip ATOM 0 H HIS A 62 0.918 1.983 6.712 1.00 0.00 H new ATOM 0 HA HIS A 62 1.908 0.504 9.014 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.992 2.543 10.054 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.510 2.344 9.172 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.516 2.097 12.458 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.752 -1.421 12.335 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.632 0.298 13.842 1.00 0.00 H new ATOM 914 N ILE A 63 0.607 -1.302 7.942 1.00 0.00 N ATOM 915 CA ILE A 63 -0.176 -2.410 7.410 1.00 0.00 C ATOM 916 C ILE A 63 -1.173 -2.925 8.443 1.00 0.00 C ATOM 917 O ILE A 63 -0.892 -2.933 9.641 1.00 0.00 O ATOM 918 CB ILE A 63 0.727 -3.573 6.960 1.00 0.00 C ATOM 919 CG1 ILE A 63 1.592 -3.147 5.772 1.00 0.00 C ATOM 920 CG2 ILE A 63 -0.114 -4.789 6.601 1.00 0.00 C ATOM 921 CD1 ILE A 63 2.823 -4.004 5.582 1.00 0.00 C ATOM 0 H ILE A 63 1.535 -1.563 8.275 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.718 -2.026 6.545 1.00 0.00 H new ATOM 0 HB ILE A 63 1.385 -3.842 7.786 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.990 -3.183 4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.899 -2.110 5.910 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.539 -5.603 6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.690 -5.103 7.472 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.795 -4.534 5.789 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.388 -3.644 4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.446 -3.949 6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.524 -5.038 5.412 1.00 0.00 H new ATOM 933 N ALA A 64 -2.337 -3.357 7.970 1.00 0.00 N ATOM 934 CA ALA A 64 -3.374 -3.878 8.852 1.00 0.00 C ATOM 935 C ALA A 64 -3.914 -5.209 8.338 1.00 0.00 C ATOM 936 O ALA A 64 -4.599 -5.258 7.317 1.00 0.00 O ATOM 937 CB ALA A 64 -4.502 -2.868 8.994 1.00 0.00 C ATOM 0 H ALA A 64 -2.586 -3.357 6.981 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.930 -4.050 9.832 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.269 -3.270 9.655 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.110 -1.942 9.414 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.936 -2.667 8.015 1.00 0.00 H new ATOM 943 N ASN A 65 -3.601 -6.285 9.052 1.00 0.00 N ATOM 944 CA ASN A 65 -4.054 -7.616 8.666 1.00 0.00 C ATOM 945 C ASN A 65 -5.569 -7.735 8.801 1.00 0.00 C ATOM 946 O ASN A 65 -6.199 -7.063 9.618 1.00 0.00 O ATOM 947 CB ASN A 65 -3.369 -8.680 9.527 1.00 0.00 C ATOM 948 CG ASN A 65 -1.913 -8.877 9.151 1.00 0.00 C ATOM 949 OD1 ASN A 65 -1.113 -9.336 10.107 1.00 0.00 O flip ATOM 950 ND2 ASN A 65 -1.513 -8.620 8.016 1.00 0.00 N flip ATOM 0 H ASN A 65 -3.036 -6.261 9.901 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.786 -7.775 7.621 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.435 -8.392 10.576 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.900 -9.626 9.422 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.164 -8.269 7.313 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.531 -8.758 7.778 1.00 0.00 H new ATOM 957 N PRO A 66 -6.170 -8.611 7.982 1.00 0.00 N ATOM 958 CA PRO A 66 -7.618 -8.840 7.991 1.00 0.00 C ATOM 959 C PRO A 66 -8.083 -9.554 9.255 1.00 0.00 C ATOM 960 O PRO A 66 -9.275 -9.803 9.436 1.00 0.00 O ATOM 961 CB PRO A 66 -7.845 -9.724 6.763 1.00 0.00 C ATOM 962 CG PRO A 66 -6.544 -10.417 6.548 1.00 0.00 C ATOM 963 CD PRO A 66 -5.481 -9.446 6.983 1.00 0.00 C ATOM 0 HA PRO A 66 -8.179 -7.906 7.970 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.650 -10.438 6.933 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.125 -9.129 5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.492 -11.338 7.128 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.417 -10.692 5.501 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.620 -9.958 7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.113 -8.851 6.147 1.00 0.00 H new ATOM 971 N SER A 67 -7.136 -9.881 10.128 1.00 0.00 N ATOM 972 CA SER A 67 -7.449 -10.570 11.374 1.00 0.00 C ATOM 973 C SER A 67 -7.398 -9.606 12.556 1.00 0.00 C ATOM 974 O SER A 67 -7.966 -9.872 13.614 1.00 0.00 O ATOM 975 CB SER A 67 -6.473 -11.726 11.602 1.00 0.00 C ATOM 976 OG SER A 67 -6.935 -12.913 10.981 1.00 0.00 O ATOM 0 H SER A 67 -6.145 -9.680 9.995 1.00 0.00 H new ATOM 0 HA SER A 67 -8.461 -10.968 11.295 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.493 -11.462 11.205 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.349 -11.896 12.672 1.00 0.00 H new ATOM 0 HG SER A 67 -6.293 -13.636 11.140 1.00 0.00 H new ATOM 982 N GLY A 68 -6.711 -8.483 12.366 1.00 0.00 N ATOM 983 CA GLY A 68 -6.597 -7.496 13.424 1.00 0.00 C ATOM 984 C GLY A 68 -5.159 -7.111 13.705 1.00 0.00 C ATOM 985 O GLY A 68 -4.886 -6.010 14.182 1.00 0.00 O ATOM 0 H GLY A 68 -6.232 -8.240 11.499 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.161 -6.605 13.148 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.049 -7.890 14.334 1.00 0.00 H new ATOM 989 N ALA A 69 -4.236 -8.021 13.410 1.00 0.00 N ATOM 990 CA ALA A 69 -2.817 -7.770 13.634 1.00 0.00 C ATOM 991 C ALA A 69 -2.273 -6.762 12.628 1.00 0.00 C ATOM 992 O ALA A 69 -2.940 -6.423 11.651 1.00 0.00 O ATOM 993 CB ALA A 69 -2.033 -9.072 13.556 1.00 0.00 C ATOM 0 H ALA A 69 -4.445 -8.938 13.016 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.700 -7.347 14.632 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.975 -8.870 13.725 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.397 -9.762 14.317 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.164 -9.517 12.570 1.00 0.00 H new ATOM 999 N SER A 70 -1.057 -6.284 12.875 1.00 0.00 N ATOM 1000 CA SER A 70 -0.424 -5.310 11.994 1.00 0.00 C ATOM 1001 C SER A 70 1.041 -5.664 11.756 1.00 0.00 C ATOM 1002 O SER A 70 1.777 -5.976 12.692 1.00 0.00 O ATOM 1003 CB SER A 70 -0.531 -3.906 12.590 1.00 0.00 C ATOM 1004 OG SER A 70 -1.849 -3.642 13.041 1.00 0.00 O ATOM 0 H SER A 70 -0.491 -6.556 13.679 1.00 0.00 H new ATOM 0 HA SER A 70 -0.945 -5.331 11.037 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.168 -3.806 13.421 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.245 -3.167 11.842 1.00 0.00 H new ATOM 0 HG SER A 70 -1.832 -2.905 13.687 1.00 0.00 H new ATOM 1010 N THR A 71 1.458 -5.613 10.494 1.00 0.00 N ATOM 1011 CA THR A 71 2.834 -5.928 10.131 1.00 0.00 C ATOM 1012 C THR A 71 3.702 -4.675 10.123 1.00 0.00 C ATOM 1013 O THR A 71 3.411 -3.713 9.413 1.00 0.00 O ATOM 1014 CB THR A 71 2.910 -6.600 8.748 1.00 0.00 C ATOM 1015 OG1 THR A 71 1.913 -7.623 8.644 1.00 0.00 O ATOM 1016 CG2 THR A 71 4.287 -7.202 8.513 1.00 0.00 C ATOM 0 H THR A 71 0.862 -5.357 9.707 1.00 0.00 H new ATOM 0 HA THR A 71 3.209 -6.621 10.885 1.00 0.00 H new ATOM 0 HB THR A 71 2.729 -5.839 7.989 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.745 -7.821 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.316 -7.671 7.529 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.041 -6.416 8.563 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.492 -7.951 9.278 1.00 0.00 H new ATOM 1024 N GLU A 72 4.768 -4.693 10.916 1.00 0.00 N ATOM 1025 CA GLU A 72 5.678 -3.557 10.999 1.00 0.00 C ATOM 1026 C GLU A 72 6.239 -3.207 9.623 1.00 0.00 C ATOM 1027 O GLU A 72 6.699 -4.082 8.889 1.00 0.00 O ATOM 1028 CB GLU A 72 6.824 -3.862 11.966 1.00 0.00 C ATOM 1029 CG GLU A 72 7.514 -2.619 12.503 1.00 0.00 C ATOM 1030 CD GLU A 72 8.683 -2.947 13.411 1.00 0.00 C ATOM 1031 OE1 GLU A 72 8.518 -3.807 14.302 1.00 0.00 O ATOM 1032 OE2 GLU A 72 9.762 -2.344 13.233 1.00 0.00 O ATOM 0 H GLU A 72 5.023 -5.482 11.510 1.00 0.00 H new ATOM 0 HA GLU A 72 5.116 -2.701 11.372 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.437 -4.443 12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.560 -4.486 11.459 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.866 -2.014 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.791 -2.015 13.051 1.00 0.00 H new ATOM 1039 N CYS A 73 6.196 -1.924 9.282 1.00 0.00 N ATOM 1040 CA CYS A 73 6.698 -1.458 7.994 1.00 0.00 C ATOM 1041 C CYS A 73 8.044 -0.760 8.156 1.00 0.00 C ATOM 1042 O CYS A 73 8.278 -0.061 9.142 1.00 0.00 O ATOM 1043 CB CYS A 73 5.691 -0.508 7.345 1.00 0.00 C ATOM 1044 SG CYS A 73 4.029 -1.197 7.174 1.00 0.00 S ATOM 0 H CYS A 73 5.819 -1.188 9.879 1.00 0.00 H new ATOM 0 HA CYS A 73 6.835 -2.326 7.349 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.635 0.405 7.938 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.058 -0.225 6.359 1.00 0.00 H new ATOM 0 HG CYS A 73 3.853 -2.130 8.062 1.00 0.00 H new ATOM 1050 N PHE A 74 8.927 -0.956 7.183 1.00 0.00 N ATOM 1051 CA PHE A 74 10.252 -0.347 7.218 1.00 0.00 C ATOM 1052 C PHE A 74 10.478 0.536 5.994 1.00 0.00 C ATOM 1053 O PHE A 74 10.683 0.040 4.886 1.00 0.00 O ATOM 1054 CB PHE A 74 11.332 -1.429 7.287 1.00 0.00 C ATOM 1055 CG PHE A 74 11.137 -2.399 8.417 1.00 0.00 C ATOM 1056 CD1 PHE A 74 10.022 -3.221 8.457 1.00 0.00 C ATOM 1057 CD2 PHE A 74 12.068 -2.489 9.439 1.00 0.00 C ATOM 1058 CE1 PHE A 74 9.839 -4.115 9.495 1.00 0.00 C ATOM 1059 CE2 PHE A 74 11.891 -3.382 10.479 1.00 0.00 C ATOM 1060 CZ PHE A 74 10.775 -4.195 10.508 1.00 0.00 C ATOM 0 H PHE A 74 8.749 -1.532 6.360 1.00 0.00 H new ATOM 0 HA PHE A 74 10.314 0.276 8.110 1.00 0.00 H new ATOM 0 HB2 PHE A 74 11.346 -1.978 6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.307 -0.952 7.392 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.287 -3.162 7.668 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.942 -1.854 9.423 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.966 -4.750 9.514 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.625 -3.444 11.269 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.634 -4.892 11.321 1.00 0.00 H new ATOM 1070 N VAL A 75 10.437 1.848 6.203 1.00 0.00 N ATOM 1071 CA VAL A 75 10.638 2.801 5.118 1.00 0.00 C ATOM 1072 C VAL A 75 12.120 3.089 4.906 1.00 0.00 C ATOM 1073 O VAL A 75 12.859 3.338 5.860 1.00 0.00 O ATOM 1074 CB VAL A 75 9.903 4.126 5.392 1.00 0.00 C ATOM 1075 CG1 VAL A 75 8.425 3.874 5.646 1.00 0.00 C ATOM 1076 CG2 VAL A 75 10.538 4.855 6.567 1.00 0.00 C ATOM 0 H VAL A 75 10.266 2.275 7.113 1.00 0.00 H new ATOM 0 HA VAL A 75 10.227 2.346 4.217 1.00 0.00 H new ATOM 0 HB VAL A 75 9.993 4.760 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.922 4.822 5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.981 3.398 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.311 3.221 6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.006 5.789 6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.482 4.229 7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.582 5.070 6.340 1.00 0.00 H new ATOM 1086 N THR A 76 12.551 3.055 3.649 1.00 0.00 N ATOM 1087 CA THR A 76 13.945 3.311 3.311 1.00 0.00 C ATOM 1088 C THR A 76 14.057 4.266 2.128 1.00 0.00 C ATOM 1089 O THR A 76 13.628 3.948 1.019 1.00 0.00 O ATOM 1090 CB THR A 76 14.691 2.006 2.976 1.00 0.00 C ATOM 1091 OG1 THR A 76 14.600 1.093 4.075 1.00 0.00 O ATOM 1092 CG2 THR A 76 16.153 2.284 2.661 1.00 0.00 C ATOM 0 H THR A 76 11.954 2.852 2.848 1.00 0.00 H new ATOM 0 HA THR A 76 14.404 3.768 4.188 1.00 0.00 H new ATOM 0 HB THR A 76 14.224 1.562 2.097 1.00 0.00 H new ATOM 0 HG1 THR A 76 15.076 0.265 3.853 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.659 1.347 2.428 1.00 0.00 H new ATOM 0 HG22 THR A 76 16.219 2.956 1.805 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.629 2.748 3.524 1.00 0.00 H new ATOM 1100 N ASP A 77 14.637 5.436 2.371 1.00 0.00 N ATOM 1101 CA ASP A 77 14.808 6.437 1.324 1.00 0.00 C ATOM 1102 C ASP A 77 16.110 6.210 0.562 1.00 0.00 C ATOM 1103 O ASP A 77 17.173 6.058 1.162 1.00 0.00 O ATOM 1104 CB ASP A 77 14.793 7.843 1.926 1.00 0.00 C ATOM 1105 CG ASP A 77 16.023 8.126 2.766 1.00 0.00 C ATOM 1106 OD1 ASP A 77 16.463 7.215 3.498 1.00 0.00 O ATOM 1107 OD2 ASP A 77 16.545 9.258 2.692 1.00 0.00 O ATOM 0 H ASP A 77 14.997 5.715 3.284 1.00 0.00 H new ATOM 0 HA ASP A 77 13.978 6.341 0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.727 8.578 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.901 7.962 2.541 1.00 0.00 H new ATOM 1112 N ASN A 78 16.017 6.186 -0.764 1.00 0.00 N ATOM 1113 CA ASN A 78 17.187 5.976 -1.608 1.00 0.00 C ATOM 1114 C ASN A 78 17.930 7.287 -1.845 1.00 0.00 C ATOM 1115 O ASN A 78 18.755 7.390 -2.753 1.00 0.00 O ATOM 1116 CB ASN A 78 16.772 5.363 -2.947 1.00 0.00 C ATOM 1117 CG ASN A 78 16.165 3.982 -2.787 1.00 0.00 C ATOM 1118 OD1 ASN A 78 16.881 2.990 -2.645 1.00 0.00 O ATOM 1119 ND2 ASN A 78 14.839 3.912 -2.811 1.00 0.00 N ATOM 0 H ASN A 78 15.144 6.309 -1.276 1.00 0.00 H new ATOM 0 HA ASN A 78 17.857 5.288 -1.092 1.00 0.00 H new ATOM 0 HB2 ASN A 78 16.052 6.019 -3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 78 17.642 5.301 -3.600 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.374 3.010 -2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.286 4.760 -2.931 1.00 0.00 H new ATOM 1126 N ALA A 79 17.632 8.287 -1.022 1.00 0.00 N ATOM 1127 CA ALA A 79 18.273 9.591 -1.139 1.00 0.00 C ATOM 1128 C ALA A 79 18.379 10.021 -2.599 1.00 0.00 C ATOM 1129 O ALA A 79 19.359 10.646 -3.002 1.00 0.00 O ATOM 1130 CB ALA A 79 19.651 9.561 -0.495 1.00 0.00 C ATOM 0 H ALA A 79 16.950 8.219 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 79 17.655 10.321 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 79 20.118 10.541 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.554 9.306 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 79 20.269 8.815 -0.994 1.00 0.00 H new ATOM 1136 N ASP A 80 17.364 9.680 -3.385 1.00 0.00 N ATOM 1137 CA ASP A 80 17.343 10.032 -4.801 1.00 0.00 C ATOM 1138 C ASP A 80 16.059 10.776 -5.156 1.00 0.00 C ATOM 1139 O ASP A 80 16.054 11.644 -6.029 1.00 0.00 O ATOM 1140 CB ASP A 80 17.473 8.775 -5.662 1.00 0.00 C ATOM 1141 CG ASP A 80 17.620 9.096 -7.136 1.00 0.00 C ATOM 1142 OD1 ASP A 80 18.672 9.648 -7.522 1.00 0.00 O ATOM 1143 OD2 ASP A 80 16.683 8.795 -7.905 1.00 0.00 O ATOM 0 H ASP A 80 16.546 9.161 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 80 18.190 10.689 -5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 80 18.337 8.199 -5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 80 16.595 8.146 -5.516 1.00 0.00 H new ATOM 1148 N GLY A 81 14.972 10.430 -4.475 1.00 0.00 N ATOM 1149 CA GLY A 81 13.697 11.074 -4.734 1.00 0.00 C ATOM 1150 C GLY A 81 12.520 10.151 -4.488 1.00 0.00 C ATOM 1151 O GLY A 81 11.369 10.587 -4.487 1.00 0.00 O ATOM 0 H GLY A 81 14.951 9.715 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.603 11.955 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.672 11.422 -5.767 1.00 0.00 H new ATOM 1155 N THR A 82 12.808 8.870 -4.281 1.00 0.00 N ATOM 1156 CA THR A 82 11.765 7.882 -4.036 1.00 0.00 C ATOM 1157 C THR A 82 11.990 7.161 -2.712 1.00 0.00 C ATOM 1158 O THR A 82 13.075 7.229 -2.134 1.00 0.00 O ATOM 1159 CB THR A 82 11.700 6.841 -5.170 1.00 0.00 C ATOM 1160 OG1 THR A 82 12.943 6.134 -5.258 1.00 0.00 O ATOM 1161 CG2 THR A 82 11.396 7.509 -6.502 1.00 0.00 C ATOM 0 H THR A 82 13.756 8.492 -4.278 1.00 0.00 H new ATOM 0 HA THR A 82 10.820 8.424 -3.995 1.00 0.00 H new ATOM 0 HB THR A 82 10.898 6.139 -4.943 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.893 5.473 -5.980 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.355 6.754 -7.287 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.436 8.021 -6.441 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.179 8.231 -6.734 1.00 0.00 H new ATOM 1169 N TYR A 83 10.959 6.471 -2.237 1.00 0.00 N ATOM 1170 CA TYR A 83 11.044 5.739 -0.979 1.00 0.00 C ATOM 1171 C TYR A 83 10.794 4.250 -1.198 1.00 0.00 C ATOM 1172 O TYR A 83 10.086 3.858 -2.125 1.00 0.00 O ATOM 1173 CB TYR A 83 10.036 6.294 0.028 1.00 0.00 C ATOM 1174 CG TYR A 83 10.096 7.798 0.178 1.00 0.00 C ATOM 1175 CD1 TYR A 83 9.402 8.630 -0.691 1.00 0.00 C ATOM 1176 CD2 TYR A 83 10.846 8.385 1.189 1.00 0.00 C ATOM 1177 CE1 TYR A 83 9.454 10.004 -0.558 1.00 0.00 C ATOM 1178 CE2 TYR A 83 10.903 9.758 1.331 1.00 0.00 C ATOM 1179 CZ TYR A 83 10.206 10.563 0.455 1.00 0.00 C ATOM 1180 OH TYR A 83 10.261 11.932 0.591 1.00 0.00 O ATOM 0 H TYR A 83 10.055 6.403 -2.704 1.00 0.00 H new ATOM 0 HA TYR A 83 12.051 5.866 -0.582 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.031 6.008 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 83 10.214 5.833 0.999 1.00 0.00 H new ATOM 0 HD1 TYR A 83 8.812 8.195 -1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 83 11.394 7.757 1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.909 10.637 -1.243 1.00 0.00 H new ATOM 0 HE2 TYR A 83 11.490 10.198 2.123 1.00 0.00 H new ATOM 0 HH TYR A 83 10.832 12.162 1.353 1.00 0.00 H new ATOM 1190 N GLN A 84 11.381 3.425 -0.336 1.00 0.00 N ATOM 1191 CA GLN A 84 11.223 1.979 -0.434 1.00 0.00 C ATOM 1192 C GLN A 84 10.802 1.385 0.906 1.00 0.00 C ATOM 1193 O GLN A 84 11.596 1.319 1.845 1.00 0.00 O ATOM 1194 CB GLN A 84 12.527 1.333 -0.905 1.00 0.00 C ATOM 1195 CG GLN A 84 12.342 -0.064 -1.476 1.00 0.00 C ATOM 1196 CD GLN A 84 12.084 -0.054 -2.970 1.00 0.00 C ATOM 1197 OE1 GLN A 84 11.082 -0.810 -3.404 1.00 0.00 O flip ATOM 1198 NE2 GLN A 84 12.777 0.627 -3.727 1.00 0.00 N flip ATOM 0 H GLN A 84 11.970 3.734 0.438 1.00 0.00 H new ATOM 0 HA GLN A 84 10.440 1.773 -1.164 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.985 1.969 -1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.222 1.285 -0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.232 -0.658 -1.269 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.509 -0.552 -0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.537 1.194 -3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.591 0.624 -4.730 1.00 0.00 H new ATOM 1207 N VAL A 85 9.547 0.954 0.989 1.00 0.00 N ATOM 1208 CA VAL A 85 9.021 0.365 2.215 1.00 0.00 C ATOM 1209 C VAL A 85 8.994 -1.156 2.125 1.00 0.00 C ATOM 1210 O VAL A 85 8.336 -1.725 1.255 1.00 0.00 O ATOM 1211 CB VAL A 85 7.599 0.876 2.517 1.00 0.00 C ATOM 1212 CG1 VAL A 85 7.078 0.268 3.811 1.00 0.00 C ATOM 1213 CG2 VAL A 85 7.583 2.395 2.588 1.00 0.00 C ATOM 0 H VAL A 85 8.876 1.002 0.222 1.00 0.00 H new ATOM 0 HA VAL A 85 9.687 0.667 3.023 1.00 0.00 H new ATOM 0 HB VAL A 85 6.940 0.566 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.073 0.640 4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.052 -0.818 3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.736 0.546 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.571 2.739 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.255 2.729 3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.912 2.807 1.634 1.00 0.00 H new ATOM 1223 N GLU A 86 9.713 -1.810 3.033 1.00 0.00 N ATOM 1224 CA GLU A 86 9.771 -3.267 3.056 1.00 0.00 C ATOM 1225 C GLU A 86 9.058 -3.820 4.286 1.00 0.00 C ATOM 1226 O GLU A 86 9.238 -3.323 5.398 1.00 0.00 O ATOM 1227 CB GLU A 86 11.226 -3.741 3.039 1.00 0.00 C ATOM 1228 CG GLU A 86 11.374 -5.251 3.118 1.00 0.00 C ATOM 1229 CD GLU A 86 12.749 -5.678 3.593 1.00 0.00 C ATOM 1230 OE1 GLU A 86 13.021 -5.558 4.807 1.00 0.00 O ATOM 1231 OE2 GLU A 86 13.554 -6.132 2.753 1.00 0.00 O ATOM 0 H GLU A 86 10.263 -1.354 3.761 1.00 0.00 H new ATOM 0 HA GLU A 86 9.264 -3.640 2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.705 -3.384 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.757 -3.288 3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.619 -5.651 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.183 -5.683 2.136 1.00 0.00 H new ATOM 1238 N TYR A 87 8.249 -4.853 4.078 1.00 0.00 N ATOM 1239 CA TYR A 87 7.506 -5.473 5.169 1.00 0.00 C ATOM 1240 C TYR A 87 7.247 -6.949 4.882 1.00 0.00 C ATOM 1241 O TYR A 87 7.146 -7.361 3.726 1.00 0.00 O ATOM 1242 CB TYR A 87 6.179 -4.744 5.390 1.00 0.00 C ATOM 1243 CG TYR A 87 5.160 -4.999 4.302 1.00 0.00 C ATOM 1244 CD1 TYR A 87 4.369 -6.141 4.318 1.00 0.00 C ATOM 1245 CD2 TYR A 87 4.989 -4.098 3.259 1.00 0.00 C ATOM 1246 CE1 TYR A 87 3.437 -6.378 3.326 1.00 0.00 C ATOM 1247 CE2 TYR A 87 4.059 -4.326 2.263 1.00 0.00 C ATOM 1248 CZ TYR A 87 3.286 -5.468 2.301 1.00 0.00 C ATOM 1249 OH TYR A 87 2.358 -5.700 1.311 1.00 0.00 O ATOM 0 H TYR A 87 8.091 -5.278 3.165 1.00 0.00 H new ATOM 0 HA TYR A 87 8.109 -5.398 6.074 1.00 0.00 H new ATOM 0 HB2 TYR A 87 5.760 -5.052 6.348 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.369 -3.673 5.455 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.485 -6.856 5.119 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.593 -3.204 3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 87 2.830 -7.271 3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.938 -3.615 1.460 1.00 0.00 H new ATOM 0 HH TYR A 87 2.453 -5.023 0.608 1.00 0.00 H new ATOM 1259 N THR A 88 7.139 -7.742 5.943 1.00 0.00 N ATOM 1260 CA THR A 88 6.892 -9.172 5.808 1.00 0.00 C ATOM 1261 C THR A 88 5.612 -9.580 6.528 1.00 0.00 C ATOM 1262 O THR A 88 5.578 -9.723 7.750 1.00 0.00 O ATOM 1263 CB THR A 88 8.066 -10.000 6.363 1.00 0.00 C ATOM 1264 OG1 THR A 88 9.311 -9.428 5.944 1.00 0.00 O ATOM 1265 CG2 THR A 88 7.981 -11.443 5.891 1.00 0.00 C ATOM 0 H THR A 88 7.219 -7.418 6.907 1.00 0.00 H new ATOM 0 HA THR A 88 6.786 -9.375 4.742 1.00 0.00 H new ATOM 0 HB THR A 88 8.009 -9.986 7.451 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.052 -9.959 6.303 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.821 -12.008 6.296 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.046 -11.884 6.237 1.00 0.00 H new ATOM 0 HG23 THR A 88 8.015 -11.472 4.802 1.00 0.00 H new ATOM 1273 N PRO A 89 4.533 -9.772 5.755 1.00 0.00 N ATOM 1274 CA PRO A 89 3.230 -10.168 6.298 1.00 0.00 C ATOM 1275 C PRO A 89 3.232 -11.600 6.823 1.00 0.00 C ATOM 1276 O PRO A 89 3.676 -12.522 6.138 1.00 0.00 O ATOM 1277 CB PRO A 89 2.291 -10.040 5.097 1.00 0.00 C ATOM 1278 CG PRO A 89 3.172 -10.208 3.907 1.00 0.00 C ATOM 1279 CD PRO A 89 4.502 -9.619 4.290 1.00 0.00 C ATOM 0 HA PRO A 89 2.940 -9.553 7.150 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.510 -10.800 5.122 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.792 -9.071 5.086 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.273 -11.260 3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.755 -9.699 3.038 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.328 -10.147 3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.579 -8.573 3.993 1.00 0.00 H new ATOM 1287 N PHE A 90 2.731 -11.779 8.041 1.00 0.00 N ATOM 1288 CA PHE A 90 2.676 -13.100 8.657 1.00 0.00 C ATOM 1289 C PHE A 90 1.262 -13.670 8.594 1.00 0.00 C ATOM 1290 O PHE A 90 0.855 -14.444 9.460 1.00 0.00 O ATOM 1291 CB PHE A 90 3.144 -13.027 10.112 1.00 0.00 C ATOM 1292 CG PHE A 90 2.766 -11.746 10.800 1.00 0.00 C ATOM 1293 CD1 PHE A 90 1.483 -11.559 11.288 1.00 0.00 C ATOM 1294 CD2 PHE A 90 3.694 -10.730 10.958 1.00 0.00 C ATOM 1295 CE1 PHE A 90 1.132 -10.382 11.922 1.00 0.00 C ATOM 1296 CE2 PHE A 90 3.349 -9.551 11.592 1.00 0.00 C ATOM 1297 CZ PHE A 90 2.066 -9.376 12.073 1.00 0.00 C ATOM 0 H PHE A 90 2.358 -11.027 8.620 1.00 0.00 H new ATOM 0 HA PHE A 90 3.341 -13.761 8.101 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.720 -13.866 10.664 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.228 -13.141 10.143 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.748 -12.342 11.172 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.698 -10.860 10.582 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.129 -10.249 12.299 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.082 -8.767 11.711 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.794 -8.454 12.566 1.00 0.00 H new ATOM 1307 N GLU A 91 0.518 -13.280 7.564 1.00 0.00 N ATOM 1308 CA GLU A 91 -0.851 -13.751 7.389 1.00 0.00 C ATOM 1309 C GLU A 91 -1.324 -13.527 5.955 1.00 0.00 C ATOM 1310 O GLU A 91 -1.214 -12.425 5.418 1.00 0.00 O ATOM 1311 CB GLU A 91 -1.789 -13.037 8.364 1.00 0.00 C ATOM 1312 CG GLU A 91 -1.783 -13.634 9.761 1.00 0.00 C ATOM 1313 CD GLU A 91 -3.045 -13.312 10.538 1.00 0.00 C ATOM 1314 OE1 GLU A 91 -3.563 -12.186 10.389 1.00 0.00 O ATOM 1315 OE2 GLU A 91 -3.514 -14.188 11.296 1.00 0.00 O ATOM 0 H GLU A 91 0.840 -12.639 6.838 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.869 -14.821 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.504 -11.987 8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.804 -13.070 7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.671 -14.716 9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.918 -13.259 10.309 1.00 0.00 H new ATOM 1322 N LYS A 92 -1.852 -14.581 5.341 1.00 0.00 N ATOM 1323 CA LYS A 92 -2.343 -14.502 3.971 1.00 0.00 C ATOM 1324 C LYS A 92 -3.740 -13.890 3.928 1.00 0.00 C ATOM 1325 O LYS A 92 -4.713 -14.510 4.353 1.00 0.00 O ATOM 1326 CB LYS A 92 -2.365 -15.893 3.334 1.00 0.00 C ATOM 1327 CG LYS A 92 -1.006 -16.571 3.307 1.00 0.00 C ATOM 1328 CD LYS A 92 -1.063 -17.906 2.583 1.00 0.00 C ATOM 1329 CE LYS A 92 0.310 -18.555 2.502 1.00 0.00 C ATOM 1330 NZ LYS A 92 0.797 -18.991 3.840 1.00 0.00 N ATOM 0 H LYS A 92 -1.951 -15.500 5.772 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.667 -13.861 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.065 -16.523 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.741 -15.811 2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.283 -15.920 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.654 -16.724 4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.752 -18.573 3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.457 -17.759 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.266 -19.415 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.020 -17.850 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.736 -18.582 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.134 -18.668 4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.861 -20.029 3.865 1.00 0.00 H new ATOM 1344 N GLY A 93 -3.830 -12.668 3.411 1.00 0.00 N ATOM 1345 CA GLY A 93 -5.112 -11.993 3.322 1.00 0.00 C ATOM 1346 C GLY A 93 -4.979 -10.554 2.867 1.00 0.00 C ATOM 1347 O GLY A 93 -3.869 -10.060 2.658 1.00 0.00 O ATOM 0 H GLY A 93 -3.038 -12.134 3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.756 -12.532 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.601 -12.019 4.296 1.00 0.00 H new ATOM 1351 N LEU A 94 -6.111 -9.877 2.710 1.00 0.00 N ATOM 1352 CA LEU A 94 -6.117 -8.485 2.275 1.00 0.00 C ATOM 1353 C LEU A 94 -5.891 -7.544 3.454 1.00 0.00 C ATOM 1354 O LEU A 94 -6.716 -7.465 4.365 1.00 0.00 O ATOM 1355 CB LEU A 94 -7.442 -8.150 1.588 1.00 0.00 C ATOM 1356 CG LEU A 94 -7.706 -6.667 1.324 1.00 0.00 C ATOM 1357 CD1 LEU A 94 -6.683 -6.108 0.348 1.00 0.00 C ATOM 1358 CD2 LEU A 94 -9.118 -6.462 0.796 1.00 0.00 C ATOM 0 H LEU A 94 -7.037 -10.270 2.878 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.302 -8.350 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.479 -8.680 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.255 -8.539 2.201 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.611 -6.128 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.887 -5.052 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.683 -6.220 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.745 -6.651 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.288 -5.401 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.242 -7.014 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.837 -6.824 1.531 1.00 0.00 H new ATOM 1370 N HIS A 95 -4.769 -6.832 3.430 1.00 0.00 N ATOM 1371 CA HIS A 95 -4.436 -5.895 4.497 1.00 0.00 C ATOM 1372 C HIS A 95 -4.700 -4.457 4.059 1.00 0.00 C ATOM 1373 O HIS A 95 -4.758 -4.162 2.865 1.00 0.00 O ATOM 1374 CB HIS A 95 -2.971 -6.054 4.905 1.00 0.00 C ATOM 1375 CG HIS A 95 -2.433 -7.434 4.683 1.00 0.00 C ATOM 1376 ND1 HIS A 95 -3.096 -8.574 5.087 1.00 0.00 N ATOM 1377 CD2 HIS A 95 -1.290 -7.854 4.092 1.00 0.00 C ATOM 1378 CE1 HIS A 95 -2.383 -9.635 4.756 1.00 0.00 C ATOM 1379 NE2 HIS A 95 -1.282 -9.226 4.151 1.00 0.00 N ATOM 0 H HIS A 95 -4.075 -6.886 2.684 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.071 -6.118 5.354 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.367 -5.343 4.342 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.866 -5.797 5.959 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.527 -7.227 3.655 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.654 -10.663 4.947 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.546 -9.831 3.787 1.00 0.00 H new ATOM 1387 N VAL A 96 -4.862 -3.567 5.033 1.00 0.00 N ATOM 1388 CA VAL A 96 -5.121 -2.161 4.748 1.00 0.00 C ATOM 1389 C VAL A 96 -3.928 -1.293 5.134 1.00 0.00 C ATOM 1390 O VAL A 96 -3.698 -1.024 6.313 1.00 0.00 O ATOM 1391 CB VAL A 96 -6.370 -1.657 5.494 1.00 0.00 C ATOM 1392 CG1 VAL A 96 -6.563 -0.166 5.268 1.00 0.00 C ATOM 1393 CG2 VAL A 96 -7.602 -2.435 5.056 1.00 0.00 C ATOM 0 H VAL A 96 -4.818 -3.795 6.026 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.292 -2.083 3.674 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.225 -1.822 6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.451 0.171 5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.690 0.374 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.686 0.028 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.476 -2.066 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.753 -2.304 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.461 -3.493 5.276 1.00 0.00 H new ATOM 1403 N VAL A 97 -3.171 -0.858 4.132 1.00 0.00 N ATOM 1404 CA VAL A 97 -2.002 -0.019 4.365 1.00 0.00 C ATOM 1405 C VAL A 97 -2.365 1.460 4.302 1.00 0.00 C ATOM 1406 O VAL A 97 -2.964 1.921 3.331 1.00 0.00 O ATOM 1407 CB VAL A 97 -0.890 -0.307 3.339 1.00 0.00 C ATOM 1408 CG1 VAL A 97 0.239 0.703 3.477 1.00 0.00 C ATOM 1409 CG2 VAL A 97 -0.369 -1.727 3.504 1.00 0.00 C ATOM 0 H VAL A 97 -3.347 -1.073 3.151 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.636 -0.258 5.363 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.310 -0.212 2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.015 0.483 2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.148 1.707 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.660 0.643 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.416 -1.914 2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.035 -1.852 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.184 -2.434 3.350 1.00 0.00 H new ATOM 1419 N GLU A 98 -1.998 2.199 5.345 1.00 0.00 N ATOM 1420 CA GLU A 98 -2.286 3.627 5.407 1.00 0.00 C ATOM 1421 C GLU A 98 -1.017 4.448 5.199 1.00 0.00 C ATOM 1422 O GLU A 98 -0.097 4.408 6.017 1.00 0.00 O ATOM 1423 CB GLU A 98 -2.922 3.983 6.752 1.00 0.00 C ATOM 1424 CG GLU A 98 -4.400 3.640 6.837 1.00 0.00 C ATOM 1425 CD GLU A 98 -4.880 3.478 8.266 1.00 0.00 C ATOM 1426 OE1 GLU A 98 -5.014 4.503 8.967 1.00 0.00 O ATOM 1427 OE2 GLU A 98 -5.123 2.326 8.683 1.00 0.00 O ATOM 0 H GLU A 98 -1.501 1.833 6.157 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.987 3.865 4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.390 3.459 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.794 5.050 6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.980 4.424 6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.587 2.717 6.288 1.00 0.00 H new ATOM 1434 N VAL A 99 -0.974 5.192 4.098 1.00 0.00 N ATOM 1435 CA VAL A 99 0.182 6.023 3.782 1.00 0.00 C ATOM 1436 C VAL A 99 -0.124 7.499 4.009 1.00 0.00 C ATOM 1437 O VAL A 99 -1.162 8.004 3.580 1.00 0.00 O ATOM 1438 CB VAL A 99 0.634 5.823 2.323 1.00 0.00 C ATOM 1439 CG1 VAL A 99 1.842 6.694 2.014 1.00 0.00 C ATOM 1440 CG2 VAL A 99 0.942 4.357 2.057 1.00 0.00 C ATOM 0 H VAL A 99 -1.726 5.236 3.410 1.00 0.00 H new ATOM 0 HA VAL A 99 0.986 5.714 4.450 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.180 6.125 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.147 6.539 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.582 7.742 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.663 6.426 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.260 4.234 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.739 4.026 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.048 3.759 2.236 1.00 0.00 H new ATOM 1450 N THR A 100 0.787 8.189 4.688 1.00 0.00 N ATOM 1451 CA THR A 100 0.616 9.607 4.974 1.00 0.00 C ATOM 1452 C THR A 100 1.899 10.383 4.701 1.00 0.00 C ATOM 1453 O THR A 100 2.964 10.041 5.217 1.00 0.00 O ATOM 1454 CB THR A 100 0.191 9.838 6.437 1.00 0.00 C ATOM 1455 OG1 THR A 100 1.009 9.055 7.314 1.00 0.00 O ATOM 1456 CG2 THR A 100 -1.272 9.474 6.640 1.00 0.00 C ATOM 0 H THR A 100 1.652 7.787 5.050 1.00 0.00 H new ATOM 0 HA THR A 100 -0.171 9.969 4.313 1.00 0.00 H new ATOM 0 HB THR A 100 0.321 10.896 6.667 1.00 0.00 H new ATOM 0 HG1 THR A 100 1.903 8.956 6.926 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.549 9.645 7.680 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.894 10.092 5.993 1.00 0.00 H new ATOM 0 HG23 THR A 100 -1.423 8.423 6.393 1.00 0.00 H new ATOM 1464 N TYR A 101 1.792 11.428 3.888 1.00 0.00 N ATOM 1465 CA TYR A 101 2.946 12.251 3.545 1.00 0.00 C ATOM 1466 C TYR A 101 2.805 13.655 4.126 1.00 0.00 C ATOM 1467 O TYR A 101 2.014 14.463 3.640 1.00 0.00 O ATOM 1468 CB TYR A 101 3.110 12.329 2.027 1.00 0.00 C ATOM 1469 CG TYR A 101 4.430 12.922 1.590 1.00 0.00 C ATOM 1470 CD1 TYR A 101 4.751 14.242 1.880 1.00 0.00 C ATOM 1471 CD2 TYR A 101 5.356 12.163 0.885 1.00 0.00 C ATOM 1472 CE1 TYR A 101 5.956 14.789 1.483 1.00 0.00 C ATOM 1473 CE2 TYR A 101 6.564 12.701 0.485 1.00 0.00 C ATOM 1474 CZ TYR A 101 6.859 14.014 0.786 1.00 0.00 C ATOM 1475 OH TYR A 101 8.061 14.554 0.388 1.00 0.00 O ATOM 0 H TYR A 101 0.918 11.725 3.454 1.00 0.00 H new ATOM 0 HA TYR A 101 3.833 11.786 3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.015 11.327 1.608 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.298 12.926 1.613 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.046 14.852 2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.128 11.135 0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.189 15.817 1.717 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.273 12.096 -0.061 1.00 0.00 H new ATOM 0 HH TYR A 101 8.582 13.876 -0.091 1.00 0.00 H new ATOM 1485 N ASP A 102 3.579 13.937 5.168 1.00 0.00 N ATOM 1486 CA ASP A 102 3.544 15.243 5.815 1.00 0.00 C ATOM 1487 C ASP A 102 2.173 15.508 6.429 1.00 0.00 C ATOM 1488 O ASP A 102 1.571 16.557 6.200 1.00 0.00 O ATOM 1489 CB ASP A 102 3.887 16.344 4.810 1.00 0.00 C ATOM 1490 CG ASP A 102 4.097 17.690 5.475 1.00 0.00 C ATOM 1491 OD1 ASP A 102 4.680 17.722 6.579 1.00 0.00 O ATOM 1492 OD2 ASP A 102 3.679 18.711 4.890 1.00 0.00 O ATOM 0 H ASP A 102 4.238 13.279 5.583 1.00 0.00 H new ATOM 0 HA ASP A 102 4.287 15.246 6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.789 16.066 4.265 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.085 16.425 4.077 1.00 0.00 H new ATOM 1497 N ASP A 103 1.685 14.550 7.210 1.00 0.00 N ATOM 1498 CA ASP A 103 0.385 14.680 7.858 1.00 0.00 C ATOM 1499 C ASP A 103 -0.727 14.814 6.822 1.00 0.00 C ATOM 1500 O ASP A 103 -1.760 15.431 7.082 1.00 0.00 O ATOM 1501 CB ASP A 103 0.376 15.889 8.794 1.00 0.00 C ATOM 1502 CG ASP A 103 1.556 15.894 9.745 1.00 0.00 C ATOM 1503 OD1 ASP A 103 1.513 15.152 10.748 1.00 0.00 O ATOM 1504 OD2 ASP A 103 2.524 16.641 9.487 1.00 0.00 O ATOM 0 H ASP A 103 2.170 13.675 7.410 1.00 0.00 H new ATOM 0 HA ASP A 103 0.206 13.778 8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.387 16.804 8.201 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.550 15.893 9.369 1.00 0.00 H new ATOM 1509 N VAL A 104 -0.508 14.234 5.647 1.00 0.00 N ATOM 1510 CA VAL A 104 -1.491 14.288 4.571 1.00 0.00 C ATOM 1511 C VAL A 104 -1.513 12.985 3.780 1.00 0.00 C ATOM 1512 O VAL A 104 -0.591 12.672 3.026 1.00 0.00 O ATOM 1513 CB VAL A 104 -1.205 15.456 3.609 1.00 0.00 C ATOM 1514 CG1 VAL A 104 -2.248 15.503 2.502 1.00 0.00 C ATOM 1515 CG2 VAL A 104 -1.162 16.774 4.368 1.00 0.00 C ATOM 0 H VAL A 104 0.342 13.721 5.415 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.464 14.441 5.038 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.229 15.295 3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.030 16.334 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.225 14.569 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.237 15.639 2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.959 17.588 3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.122 16.944 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.375 16.735 5.121 1.00 0.00 H new ATOM 1525 N PRO A 105 -2.590 12.206 3.954 1.00 0.00 N ATOM 1526 CA PRO A 105 -2.760 10.924 3.263 1.00 0.00 C ATOM 1527 C PRO A 105 -3.005 11.098 1.768 1.00 0.00 C ATOM 1528 O PRO A 105 -3.592 12.092 1.338 1.00 0.00 O ATOM 1529 CB PRO A 105 -3.991 10.316 3.940 1.00 0.00 C ATOM 1530 CG PRO A 105 -4.755 11.486 4.458 1.00 0.00 C ATOM 1531 CD PRO A 105 -3.727 12.516 4.837 1.00 0.00 C ATOM 0 HA PRO A 105 -1.867 10.302 3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.585 9.736 3.234 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.706 9.641 4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.436 11.874 3.700 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.362 11.206 5.319 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.096 13.529 4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.451 12.440 5.889 1.00 0.00 H new ATOM 1539 N ILE A 106 -2.554 10.127 0.982 1.00 0.00 N ATOM 1540 CA ILE A 106 -2.726 10.174 -0.464 1.00 0.00 C ATOM 1541 C ILE A 106 -4.126 9.719 -0.866 1.00 0.00 C ATOM 1542 O ILE A 106 -4.812 9.014 -0.126 1.00 0.00 O ATOM 1543 CB ILE A 106 -1.687 9.295 -1.184 1.00 0.00 C ATOM 1544 CG1 ILE A 106 -1.595 7.923 -0.513 1.00 0.00 C ATOM 1545 CG2 ILE A 106 -0.328 9.979 -1.191 1.00 0.00 C ATOM 1546 CD1 ILE A 106 -0.861 6.892 -1.343 1.00 0.00 C ATOM 0 H ILE A 106 -2.067 9.298 1.322 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.583 11.212 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.006 9.153 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.091 8.030 0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.602 7.561 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.396 9.345 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.404 10.935 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.000 10.148 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.834 5.944 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.377 6.756 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.158 7.233 -1.529 1.00 0.00 H new ATOM 1558 N PRO A 107 -4.559 10.130 -2.067 1.00 0.00 N ATOM 1559 CA PRO A 107 -5.879 9.775 -2.596 1.00 0.00 C ATOM 1560 C PRO A 107 -5.981 8.297 -2.956 1.00 0.00 C ATOM 1561 O PRO A 107 -6.974 7.856 -3.533 1.00 0.00 O ATOM 1562 CB PRO A 107 -6.003 10.641 -3.852 1.00 0.00 C ATOM 1563 CG PRO A 107 -4.598 10.904 -4.270 1.00 0.00 C ATOM 1564 CD PRO A 107 -3.794 10.972 -3.001 1.00 0.00 C ATOM 0 HA PRO A 107 -6.670 9.945 -1.865 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.559 10.126 -4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -6.534 11.569 -3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.230 10.112 -4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.525 11.837 -4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.782 10.594 -3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.703 11.995 -2.637 1.00 0.00 H new ATOM 1572 N ASN A 108 -4.948 7.536 -2.610 1.00 0.00 N ATOM 1573 CA ASN A 108 -4.922 6.106 -2.897 1.00 0.00 C ATOM 1574 C ASN A 108 -5.038 5.291 -1.613 1.00 0.00 C ATOM 1575 O ASN A 108 -5.319 4.093 -1.649 1.00 0.00 O ATOM 1576 CB ASN A 108 -3.633 5.736 -3.634 1.00 0.00 C ATOM 1577 CG ASN A 108 -3.499 6.456 -4.962 1.00 0.00 C ATOM 1578 OD1 ASN A 108 -3.207 7.750 -4.907 1.00 0.00 O flip ATOM 1579 ND2 ASN A 108 -3.657 5.855 -6.025 1.00 0.00 N flip ATOM 0 H ASN A 108 -4.118 7.885 -2.131 1.00 0.00 H new ATOM 0 HA ASN A 108 -5.776 5.873 -3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.776 5.977 -3.005 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -3.611 4.660 -3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.881 4.860 -6.020 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.564 6.352 -6.911 1.00 0.00 H new ATOM 1586 N SER A 109 -4.820 5.950 -0.479 1.00 0.00 N ATOM 1587 CA SER A 109 -4.897 5.286 0.817 1.00 0.00 C ATOM 1588 C SER A 109 -6.298 5.409 1.408 1.00 0.00 C ATOM 1589 O SER A 109 -7.009 6.389 1.187 1.00 0.00 O ATOM 1590 CB SER A 109 -3.871 5.884 1.782 1.00 0.00 C ATOM 1591 OG SER A 109 -4.147 5.506 3.119 1.00 0.00 O ATOM 0 H SER A 109 -4.589 6.942 -0.432 1.00 0.00 H new ATOM 0 HA SER A 109 -4.675 4.229 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.870 5.551 1.506 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.880 6.971 1.699 1.00 0.00 H new ATOM 0 HG SER A 109 -3.579 6.022 3.729 1.00 0.00 H new ATOM 1597 N PRO A 110 -6.706 4.389 2.178 1.00 0.00 N ATOM 1598 CA PRO A 110 -5.869 3.217 2.448 1.00 0.00 C ATOM 1599 C PRO A 110 -5.685 2.339 1.215 1.00 0.00 C ATOM 1600 O PRO A 110 -6.429 2.457 0.241 1.00 0.00 O ATOM 1601 CB PRO A 110 -6.650 2.464 3.528 1.00 0.00 C ATOM 1602 CG PRO A 110 -8.067 2.880 3.330 1.00 0.00 C ATOM 1603 CD PRO A 110 -8.017 4.303 2.845 1.00 0.00 C ATOM 0 HA PRO A 110 -4.860 3.498 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.535 1.385 3.420 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.297 2.724 4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.564 2.237 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.630 2.804 4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.833 4.522 2.157 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -8.096 5.012 3.669 1.00 0.00 H new ATOM 1611 N PHE A 111 -4.690 1.460 1.263 1.00 0.00 N ATOM 1612 CA PHE A 111 -4.408 0.563 0.148 1.00 0.00 C ATOM 1613 C PHE A 111 -4.954 -0.835 0.424 1.00 0.00 C ATOM 1614 O PHE A 111 -5.342 -1.152 1.548 1.00 0.00 O ATOM 1615 CB PHE A 111 -2.902 0.493 -0.110 1.00 0.00 C ATOM 1616 CG PHE A 111 -2.371 1.664 -0.886 1.00 0.00 C ATOM 1617 CD1 PHE A 111 -2.693 1.829 -2.223 1.00 0.00 C ATOM 1618 CD2 PHE A 111 -1.550 2.600 -0.277 1.00 0.00 C ATOM 1619 CE1 PHE A 111 -2.207 2.906 -2.940 1.00 0.00 C ATOM 1620 CE2 PHE A 111 -1.061 3.679 -0.989 1.00 0.00 C ATOM 1621 CZ PHE A 111 -1.389 3.832 -2.322 1.00 0.00 C ATOM 0 H PHE A 111 -4.065 1.349 2.062 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.903 0.959 -0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.380 0.434 0.845 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.677 -0.425 -0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.331 1.107 -2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.290 2.485 0.765 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.466 3.023 -3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.423 4.402 -0.503 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.007 4.674 -2.880 1.00 0.00 H new ATOM 1631 N LYS A 112 -4.981 -1.668 -0.611 1.00 0.00 N ATOM 1632 CA LYS A 112 -5.478 -3.033 -0.483 1.00 0.00 C ATOM 1633 C LYS A 112 -4.491 -4.030 -1.082 1.00 0.00 C ATOM 1634 O LYS A 112 -4.378 -4.150 -2.302 1.00 0.00 O ATOM 1635 CB LYS A 112 -6.838 -3.169 -1.171 1.00 0.00 C ATOM 1636 CG LYS A 112 -8.013 -2.830 -0.269 1.00 0.00 C ATOM 1637 CD LYS A 112 -9.265 -2.527 -1.075 1.00 0.00 C ATOM 1638 CE LYS A 112 -10.330 -1.858 -0.219 1.00 0.00 C ATOM 1639 NZ LYS A 112 -11.321 -1.117 -1.047 1.00 0.00 N ATOM 0 H LYS A 112 -4.664 -1.421 -1.549 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.591 -3.254 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.861 -2.517 -2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.952 -4.191 -1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.207 -3.663 0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.761 -1.969 0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.011 -1.879 -1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.662 -3.451 -1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.845 -2.613 0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.855 -1.171 0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.030 -0.675 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.833 -0.380 -1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.793 -1.777 -1.697 1.00 0.00 H new ATOM 1653 N VAL A 113 -3.780 -4.745 -0.216 1.00 0.00 N ATOM 1654 CA VAL A 113 -2.804 -5.733 -0.660 1.00 0.00 C ATOM 1655 C VAL A 113 -3.329 -7.151 -0.461 1.00 0.00 C ATOM 1656 O VAL A 113 -3.321 -7.676 0.652 1.00 0.00 O ATOM 1657 CB VAL A 113 -1.469 -5.582 0.093 1.00 0.00 C ATOM 1658 CG1 VAL A 113 -0.511 -6.700 -0.288 1.00 0.00 C ATOM 1659 CG2 VAL A 113 -0.851 -4.221 -0.188 1.00 0.00 C ATOM 0 H VAL A 113 -3.862 -4.658 0.797 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.635 -5.556 -1.722 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.665 -5.653 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.427 -6.576 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.954 -7.662 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.318 -6.664 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.092 -4.131 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.668 -4.118 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.533 -3.437 0.140 1.00 0.00 H new ATOM 1669 N ALA A 114 -3.785 -7.765 -1.548 1.00 0.00 N ATOM 1670 CA ALA A 114 -4.311 -9.123 -1.494 1.00 0.00 C ATOM 1671 C ALA A 114 -3.194 -10.151 -1.635 1.00 0.00 C ATOM 1672 O ALA A 114 -2.694 -10.393 -2.734 1.00 0.00 O ATOM 1673 CB ALA A 114 -5.359 -9.327 -2.578 1.00 0.00 C ATOM 0 H ALA A 114 -3.801 -7.343 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.779 -9.266 -0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.743 -10.346 -2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.178 -8.623 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.908 -9.159 -3.556 1.00 0.00 H new ATOM 1679 N VAL A 115 -2.806 -10.754 -0.516 1.00 0.00 N ATOM 1680 CA VAL A 115 -1.747 -11.757 -0.515 1.00 0.00 C ATOM 1681 C VAL A 115 -2.283 -13.122 -0.931 1.00 0.00 C ATOM 1682 O VAL A 115 -3.458 -13.430 -0.724 1.00 0.00 O ATOM 1683 CB VAL A 115 -1.088 -11.877 0.872 1.00 0.00 C ATOM 1684 CG1 VAL A 115 -0.068 -13.005 0.882 1.00 0.00 C ATOM 1685 CG2 VAL A 115 -0.443 -10.558 1.270 1.00 0.00 C ATOM 0 H VAL A 115 -3.209 -10.566 0.402 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.999 -11.428 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.860 -12.112 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 115 0.387 -13.075 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -0.564 -13.946 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.704 -12.804 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.018 -10.660 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.319 -10.290 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.203 -9.777 1.305 1.00 0.00 H new ATOM 1695 N THR A 116 -1.415 -13.939 -1.519 1.00 0.00 N ATOM 1696 CA THR A 116 -1.800 -15.272 -1.965 1.00 0.00 C ATOM 1697 C THR A 116 -0.692 -16.284 -1.696 1.00 0.00 C ATOM 1698 O THR A 116 0.491 -15.945 -1.730 1.00 0.00 O ATOM 1699 CB THR A 116 -2.139 -15.286 -3.468 1.00 0.00 C ATOM 1700 OG1 THR A 116 -2.607 -16.583 -3.852 1.00 0.00 O ATOM 1701 CG2 THR A 116 -0.921 -14.913 -4.300 1.00 0.00 C ATOM 0 H THR A 116 -0.440 -13.700 -1.698 1.00 0.00 H new ATOM 0 HA THR A 116 -2.688 -15.550 -1.397 1.00 0.00 H new ATOM 0 HB THR A 116 -2.922 -14.550 -3.649 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.822 -16.583 -4.808 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.184 -14.929 -5.358 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.585 -13.913 -4.025 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.120 -15.629 -4.114 1.00 0.00 H new ATOM 1709 N GLU A 117 -1.083 -17.526 -1.430 1.00 0.00 N ATOM 1710 CA GLU A 117 -0.121 -18.587 -1.155 1.00 0.00 C ATOM 1711 C GLU A 117 1.007 -18.578 -2.184 1.00 0.00 C ATOM 1712 O GLU A 117 0.781 -18.806 -3.371 1.00 0.00 O ATOM 1713 CB GLU A 117 -0.816 -19.950 -1.157 1.00 0.00 C ATOM 1714 CG GLU A 117 -1.858 -20.102 -0.062 1.00 0.00 C ATOM 1715 CD GLU A 117 -3.205 -19.524 -0.453 1.00 0.00 C ATOM 1716 OE1 GLU A 117 -3.859 -20.100 -1.348 1.00 0.00 O ATOM 1717 OE2 GLU A 117 -3.604 -18.497 0.134 1.00 0.00 O ATOM 0 H GLU A 117 -2.059 -17.822 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 117 0.307 -18.407 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.293 -20.104 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.065 -20.732 -1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.976 -21.159 0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -1.504 -19.608 0.843 1.00 0.00 H new ATOM 1724 N GLY A 118 2.223 -18.311 -1.717 1.00 0.00 N ATOM 1725 CA GLY A 118 3.368 -18.276 -2.608 1.00 0.00 C ATOM 1726 C GLY A 118 4.675 -18.531 -1.883 1.00 0.00 C ATOM 1727 O GLY A 118 5.047 -17.782 -0.978 1.00 0.00 O ATOM 0 H GLY A 118 2.435 -18.118 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 118 3.238 -19.024 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.412 -17.304 -3.100 1.00 0.00 H new ATOM 1731 N CYS A 119 5.372 -19.590 -2.279 1.00 0.00 N ATOM 1732 CA CYS A 119 6.645 -19.943 -1.658 1.00 0.00 C ATOM 1733 C CYS A 119 7.815 -19.408 -2.476 1.00 0.00 C ATOM 1734 O CYS A 119 7.645 -18.991 -3.621 1.00 0.00 O ATOM 1735 CB CYS A 119 6.760 -21.461 -1.512 1.00 0.00 C ATOM 1736 SG CYS A 119 6.724 -22.359 -3.081 1.00 0.00 S ATOM 0 H CYS A 119 5.078 -20.219 -3.026 1.00 0.00 H new ATOM 0 HA CYS A 119 6.679 -19.487 -0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 119 7.689 -21.696 -0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 119 5.944 -21.817 -0.883 1.00 0.00 H new ATOM 0 HG CYS A 119 6.830 -23.635 -2.853 1.00 0.00 H new ATOM 1742 N GLN A 120 9.003 -19.422 -1.879 1.00 0.00 N ATOM 1743 CA GLN A 120 10.201 -18.936 -2.552 1.00 0.00 C ATOM 1744 C GLN A 120 11.456 -19.548 -1.939 1.00 0.00 C ATOM 1745 O GLN A 120 11.492 -19.900 -0.760 1.00 0.00 O ATOM 1746 CB GLN A 120 10.273 -17.410 -2.473 1.00 0.00 C ATOM 1747 CG GLN A 120 10.659 -16.889 -1.098 1.00 0.00 C ATOM 1748 CD GLN A 120 12.157 -16.903 -0.868 1.00 0.00 C ATOM 1749 OE1 GLN A 120 12.678 -17.756 -0.149 1.00 0.00 O ATOM 1750 NE2 GLN A 120 12.859 -15.957 -1.480 1.00 0.00 N ATOM 0 H GLN A 120 9.161 -19.764 -0.931 1.00 0.00 H new ATOM 0 HA GLN A 120 10.146 -19.236 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 120 10.996 -17.050 -3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 120 9.305 -16.994 -2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 120 10.287 -15.871 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 120 10.172 -17.495 -0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 120 12.386 -15.270 -2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 120 13.872 -15.917 -1.363 1.00 0.00 H new ATOM 1759 N PRO A 121 12.512 -19.678 -2.757 1.00 0.00 N ATOM 1760 CA PRO A 121 13.788 -20.248 -2.316 1.00 0.00 C ATOM 1761 C PRO A 121 14.528 -19.332 -1.347 1.00 0.00 C ATOM 1762 O PRO A 121 14.790 -18.169 -1.654 1.00 0.00 O ATOM 1763 CB PRO A 121 14.578 -20.399 -3.619 1.00 0.00 C ATOM 1764 CG PRO A 121 13.997 -19.377 -4.534 1.00 0.00 C ATOM 1765 CD PRO A 121 12.540 -19.280 -4.174 1.00 0.00 C ATOM 0 HA PRO A 121 13.651 -21.184 -1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 121 15.642 -20.228 -3.459 1.00 0.00 H new ATOM 0 HB3 PRO A 121 14.475 -21.403 -4.030 1.00 0.00 H new ATOM 0 HG2 PRO A 121 14.494 -18.415 -4.411 1.00 0.00 H new ATOM 0 HG3 PRO A 121 14.123 -19.670 -5.576 1.00 0.00 H new ATOM 0 HD2 PRO A 121 12.158 -18.269 -4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 121 11.929 -19.941 -4.789 1.00 0.00 H new ATOM 1773 N SER A 122 14.864 -19.864 -0.176 1.00 0.00 N ATOM 1774 CA SER A 122 15.571 -19.093 0.839 1.00 0.00 C ATOM 1775 C SER A 122 16.984 -19.631 1.044 1.00 0.00 C ATOM 1776 O SER A 122 17.228 -20.831 0.912 1.00 0.00 O ATOM 1777 CB SER A 122 14.803 -19.127 2.162 1.00 0.00 C ATOM 1778 OG SER A 122 14.785 -20.434 2.708 1.00 0.00 O ATOM 0 H SER A 122 14.658 -20.826 0.093 1.00 0.00 H new ATOM 0 HA SER A 122 15.640 -18.062 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 122 15.264 -18.440 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 122 13.781 -18.782 2.002 1.00 0.00 H new ATOM 0 HG SER A 122 14.290 -20.428 3.554 1.00 0.00 H new ATOM 1784 N SER A 123 17.911 -18.735 1.368 1.00 0.00 N ATOM 1785 CA SER A 123 19.301 -19.118 1.587 1.00 0.00 C ATOM 1786 C SER A 123 19.513 -19.594 3.021 1.00 0.00 C ATOM 1787 O SER A 123 19.280 -18.852 3.975 1.00 0.00 O ATOM 1788 CB SER A 123 20.230 -17.941 1.286 1.00 0.00 C ATOM 1789 OG SER A 123 20.296 -17.687 -0.107 1.00 0.00 O ATOM 0 H SER A 123 17.725 -17.739 1.485 1.00 0.00 H new ATOM 0 HA SER A 123 19.537 -19.940 0.911 1.00 0.00 H new ATOM 0 HB2 SER A 123 19.874 -17.051 1.805 1.00 0.00 H new ATOM 0 HB3 SER A 123 21.228 -18.155 1.668 1.00 0.00 H new ATOM 0 HG SER A 123 20.895 -16.929 -0.273 1.00 0.00 H new ATOM 1795 N GLY A 124 19.957 -20.839 3.166 1.00 0.00 N ATOM 1796 CA GLY A 124 20.193 -21.394 4.486 1.00 0.00 C ATOM 1797 C GLY A 124 21.665 -21.629 4.761 1.00 0.00 C ATOM 1798 O GLY A 124 22.451 -21.908 3.855 1.00 0.00 O ATOM 0 H GLY A 124 20.157 -21.473 2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.789 -20.717 5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 124 19.654 -22.336 4.582 1.00 0.00 H new ATOM 1802 N PRO A 125 22.058 -21.515 6.038 1.00 0.00 N ATOM 1803 CA PRO A 125 23.448 -21.713 6.459 1.00 0.00 C ATOM 1804 C PRO A 125 23.885 -23.170 6.352 1.00 0.00 C ATOM 1805 O PRO A 125 23.122 -24.081 6.672 1.00 0.00 O ATOM 1806 CB PRO A 125 23.443 -21.262 7.922 1.00 0.00 C ATOM 1807 CG PRO A 125 22.036 -21.455 8.373 1.00 0.00 C ATOM 1808 CD PRO A 125 21.175 -21.186 7.170 1.00 0.00 C ATOM 0 HA PRO A 125 24.147 -21.161 5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 125 24.135 -21.854 8.521 1.00 0.00 H new ATOM 0 HB3 PRO A 125 23.750 -20.220 8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 125 21.881 -22.468 8.745 1.00 0.00 H new ATOM 0 HG3 PRO A 125 21.791 -20.775 9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 125 20.277 -21.804 7.172 1.00 0.00 H new ATOM 0 HD3 PRO A 125 20.847 -20.147 7.135 1.00 0.00 H new ATOM 1816 N SER A 126 25.117 -23.382 5.901 1.00 0.00 N ATOM 1817 CA SER A 126 25.654 -24.729 5.749 1.00 0.00 C ATOM 1818 C SER A 126 26.851 -24.944 6.671 1.00 0.00 C ATOM 1819 O SER A 126 27.619 -24.019 6.935 1.00 0.00 O ATOM 1820 CB SER A 126 26.065 -24.976 4.296 1.00 0.00 C ATOM 1821 OG SER A 126 26.694 -26.237 4.152 1.00 0.00 O ATOM 0 H SER A 126 25.762 -22.638 5.634 1.00 0.00 H new ATOM 0 HA SER A 126 24.873 -25.438 6.024 1.00 0.00 H new ATOM 0 HB2 SER A 126 25.186 -24.929 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 126 26.743 -24.188 3.967 1.00 0.00 H new ATOM 0 HG SER A 126 26.946 -26.372 3.215 1.00 0.00 H new ATOM 1827 N SER A 127 27.001 -26.172 7.158 1.00 0.00 N ATOM 1828 CA SER A 127 28.101 -26.509 8.054 1.00 0.00 C ATOM 1829 C SER A 127 28.758 -27.821 7.638 1.00 0.00 C ATOM 1830 O SER A 127 28.166 -28.893 7.764 1.00 0.00 O ATOM 1831 CB SER A 127 27.599 -26.612 9.496 1.00 0.00 C ATOM 1832 OG SER A 127 26.501 -27.503 9.591 1.00 0.00 O ATOM 0 H SER A 127 26.375 -26.949 6.947 1.00 0.00 H new ATOM 0 HA SER A 127 28.844 -25.714 7.991 1.00 0.00 H new ATOM 0 HB2 SER A 127 28.407 -26.955 10.142 1.00 0.00 H new ATOM 0 HB3 SER A 127 27.303 -25.626 9.853 1.00 0.00 H new ATOM 0 HG SER A 127 26.654 -28.274 9.005 1.00 0.00 H new ATOM 1838 N GLY A 128 29.987 -27.728 7.139 1.00 0.00 N ATOM 1839 CA GLY A 128 30.706 -28.914 6.711 1.00 0.00 C ATOM 1840 C GLY A 128 30.376 -29.308 5.284 1.00 0.00 C ATOM 1841 O GLY A 128 29.407 -28.818 4.706 1.00 0.00 O ATOM 0 H GLY A 128 30.498 -26.853 7.024 1.00 0.00 H new ATOM 0 HA2 GLY A 128 31.778 -28.736 6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 128 30.466 -29.742 7.378 1.00 0.00 H new TER 1845 GLY A 128