USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 687 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 36 GLN : amide:sc= -0.0405 K(o=1.3,f=0.68) USER MOD Set 1.2: A 89 THR OG1 : rot -82:sc= 1.3 USER MOD Set 2.1: A 40 MET CE :methyl -114:sc= -4.75! (180deg=-10.8!) USER MOD Set 2.2: A 41 TYR OH : rot 180:sc= -0.48 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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= -0.0302 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.53) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= 0.0628 F(o=-1.9!,f=0.063) USER MOD Single : A 35 CYS SG : rot 36:sc= 0.543 USER MOD Single : A 43 TYR OH : rot -129:sc= 0.424 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN :FLIP amide:sc= -1.27 F(o=-6.1!,f=-1.3) USER MOD Single : A 52 SER OG : rot 117:sc= -3.14! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -131:sc= 0.0944 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.841 K(o=0.84,f=-5.8!) USER MOD Single : A 60 ASN : amide:sc= -3.06 K(o=-3.1,f=-7!) USER MOD Single : A 62 MET CE :methyl -135:sc= -0.0453 (180deg=-1.73!) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.925! F(o=-1.4,f=-0.93!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 99:sc= 1.37 USER MOD Single : A 84 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.7) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 81:sc= 0.116 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.757 17.337 27.348 1.00 0.00 N ATOM 2 CA GLY A 1 5.614 16.819 26.618 1.00 0.00 C ATOM 3 C GLY A 1 6.022 15.995 25.413 1.00 0.00 C ATOM 4 O GLY A 1 6.718 16.485 24.524 1.00 0.00 O ATOM 0 H1 GLY A 1 6.426 17.893 28.162 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.342 16.546 27.684 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.323 17.944 26.721 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.008 16.206 27.285 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.988 17.650 26.292 1.00 0.00 H new ATOM 8 N SER A 2 5.588 14.739 25.383 1.00 0.00 N ATOM 9 CA SER A 2 5.916 13.843 24.280 1.00 0.00 C ATOM 10 C SER A 2 5.653 14.516 22.937 1.00 0.00 C ATOM 11 O SER A 2 4.923 15.504 22.857 1.00 0.00 O ATOM 12 CB SER A 2 5.102 12.552 24.385 1.00 0.00 C ATOM 13 OG SER A 2 3.754 12.767 24.006 1.00 0.00 O ATOM 0 H SER A 2 5.009 14.319 26.110 1.00 0.00 H new ATOM 0 HA SER A 2 6.977 13.601 24.344 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.545 11.786 23.748 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.140 12.177 25.408 1.00 0.00 H new ATOM 0 HG SER A 2 3.255 11.927 24.080 1.00 0.00 H new ATOM 19 N SER A 3 6.254 13.974 21.882 1.00 0.00 N ATOM 20 CA SER A 3 6.089 14.523 20.542 1.00 0.00 C ATOM 21 C SER A 3 4.611 14.683 20.198 1.00 0.00 C ATOM 22 O SER A 3 3.788 13.836 20.541 1.00 0.00 O ATOM 23 CB SER A 3 6.769 13.621 19.511 1.00 0.00 C ATOM 24 OG SER A 3 7.123 14.351 18.349 1.00 0.00 O ATOM 0 H SER A 3 6.860 13.155 21.930 1.00 0.00 H new ATOM 0 HA SER A 3 6.558 15.507 20.519 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.661 13.172 19.948 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.100 12.804 19.241 1.00 0.00 H new ATOM 0 HG SER A 3 7.557 13.752 17.706 1.00 0.00 H new ATOM 30 N GLY A 4 4.283 15.777 19.518 1.00 0.00 N ATOM 31 CA GLY A 4 2.905 16.029 19.139 1.00 0.00 C ATOM 32 C GLY A 4 2.480 15.224 17.927 1.00 0.00 C ATOM 33 O GLY A 4 2.644 15.668 16.790 1.00 0.00 O ATOM 0 H GLY A 4 4.947 16.493 19.223 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.251 15.790 19.978 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.778 17.091 18.929 1.00 0.00 H new ATOM 37 N SER A 5 1.935 14.036 18.169 1.00 0.00 N ATOM 38 CA SER A 5 1.491 13.165 17.087 1.00 0.00 C ATOM 39 C SER A 5 -0.025 13.231 16.924 1.00 0.00 C ATOM 40 O SER A 5 -0.748 13.552 17.867 1.00 0.00 O ATOM 41 CB SER A 5 1.923 11.722 17.357 1.00 0.00 C ATOM 42 OG SER A 5 1.318 10.828 16.439 1.00 0.00 O ATOM 0 H SER A 5 1.790 13.655 19.104 1.00 0.00 H new ATOM 0 HA SER A 5 1.954 13.510 16.162 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.008 11.644 17.284 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.651 11.442 18.375 1.00 0.00 H new ATOM 0 HG SER A 5 1.611 9.913 16.632 1.00 0.00 H new ATOM 48 N SER A 6 -0.498 12.926 15.720 1.00 0.00 N ATOM 49 CA SER A 6 -1.926 12.954 15.430 1.00 0.00 C ATOM 50 C SER A 6 -2.215 12.342 14.062 1.00 0.00 C ATOM 51 O SER A 6 -1.340 12.279 13.201 1.00 0.00 O ATOM 52 CB SER A 6 -2.450 14.390 15.480 1.00 0.00 C ATOM 53 OG SER A 6 -3.865 14.415 15.541 1.00 0.00 O ATOM 0 H SER A 6 0.088 12.657 14.929 1.00 0.00 H new ATOM 0 HA SER A 6 -2.437 12.362 16.189 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.036 14.901 16.349 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.111 14.935 14.599 1.00 0.00 H new ATOM 0 HG SER A 6 -4.175 15.344 15.574 1.00 0.00 H new ATOM 59 N GLY A 7 -3.452 11.892 13.872 1.00 0.00 N ATOM 60 CA GLY A 7 -3.836 11.291 12.608 1.00 0.00 C ATOM 61 C GLY A 7 -3.868 12.297 11.474 1.00 0.00 C ATOM 62 O GLY A 7 -4.940 12.671 10.999 1.00 0.00 O ATOM 0 H GLY A 7 -4.194 11.933 14.570 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.136 10.492 12.361 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.820 10.833 12.711 1.00 0.00 H new ATOM 66 N GLN A 8 -2.691 12.735 11.040 1.00 0.00 N ATOM 67 CA GLN A 8 -2.590 13.705 9.956 1.00 0.00 C ATOM 68 C GLN A 8 -2.801 13.034 8.603 1.00 0.00 C ATOM 69 O GLN A 8 -2.150 12.039 8.284 1.00 0.00 O ATOM 70 CB GLN A 8 -1.226 14.397 9.989 1.00 0.00 C ATOM 71 CG GLN A 8 -1.090 15.422 11.103 1.00 0.00 C ATOM 72 CD GLN A 8 -2.056 16.581 10.951 1.00 0.00 C ATOM 73 OE1 GLN A 8 -3.172 16.545 11.469 1.00 0.00 O ATOM 74 NE2 GLN A 8 -1.631 17.617 10.238 1.00 0.00 N ATOM 0 H GLN A 8 -1.794 12.434 11.422 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.372 14.451 10.096 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.448 13.642 10.104 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.054 14.889 9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.261 14.935 12.063 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.069 15.804 11.117 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.698 17.604 9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.238 18.426 10.102 1.00 0.00 H new ATOM 83 N LYS A 9 -3.714 13.584 7.811 1.00 0.00 N ATOM 84 CA LYS A 9 -4.012 13.040 6.492 1.00 0.00 C ATOM 85 C LYS A 9 -2.904 13.382 5.500 1.00 0.00 C ATOM 86 O LYS A 9 -2.103 14.285 5.737 1.00 0.00 O ATOM 87 CB LYS A 9 -5.350 13.580 5.984 1.00 0.00 C ATOM 88 CG LYS A 9 -6.551 13.034 6.736 1.00 0.00 C ATOM 89 CD LYS A 9 -7.843 13.266 5.970 1.00 0.00 C ATOM 90 CE LYS A 9 -8.029 12.234 4.867 1.00 0.00 C ATOM 91 NZ LYS A 9 -8.530 10.937 5.400 1.00 0.00 N ATOM 0 H LYS A 9 -4.261 14.408 8.060 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.076 11.955 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.347 14.667 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.453 13.337 4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.417 11.966 6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.616 13.511 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.688 13.222 6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.836 14.266 5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.730 12.617 4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.080 12.074 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.644 10.261 4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.849 10.558 6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.448 11.085 5.866 1.00 0.00 H new ATOM 105 N GLY A 10 -2.867 12.656 4.387 1.00 0.00 N ATOM 106 CA GLY A 10 -1.855 12.899 3.376 1.00 0.00 C ATOM 107 C GLY A 10 -2.071 12.067 2.127 1.00 0.00 C ATOM 108 O GLY A 10 -1.133 11.462 1.607 1.00 0.00 O ATOM 0 H GLY A 10 -3.520 11.904 4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.858 13.956 3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.871 12.678 3.790 1.00 0.00 H new ATOM 112 N TRP A 11 -3.309 12.033 1.647 1.00 0.00 N ATOM 113 CA TRP A 11 -3.644 11.267 0.453 1.00 0.00 C ATOM 114 C TRP A 11 -4.229 12.170 -0.627 1.00 0.00 C ATOM 115 O TRP A 11 -5.208 12.879 -0.395 1.00 0.00 O ATOM 116 CB TRP A 11 -4.637 10.156 0.798 1.00 0.00 C ATOM 117 CG TRP A 11 -4.925 9.239 -0.352 1.00 0.00 C ATOM 118 CD1 TRP A 11 -5.979 9.315 -1.217 1.00 0.00 C ATOM 119 CD2 TRP A 11 -4.150 8.107 -0.761 1.00 0.00 C ATOM 120 NE1 TRP A 11 -5.906 8.299 -2.139 1.00 0.00 N ATOM 121 CE2 TRP A 11 -4.792 7.544 -1.881 1.00 0.00 C ATOM 122 CE3 TRP A 11 -2.974 7.515 -0.291 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -4.297 6.419 -2.535 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -2.485 6.398 -0.941 1.00 0.00 C ATOM 125 CH2 TRP A 11 -3.145 5.860 -2.053 1.00 0.00 C ATOM 0 H TRP A 11 -4.097 12.527 2.066 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.727 10.820 0.069 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.243 9.572 1.630 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.570 10.605 1.138 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.756 10.064 -1.182 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.573 8.134 -2.893 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.457 7.923 0.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.804 6.002 -3.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -1.578 5.932 -0.585 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.737 4.987 -2.540 1.00 0.00 H new ATOM 136 N PHE A 12 -3.622 12.141 -1.809 1.00 0.00 N ATOM 137 CA PHE A 12 -4.082 12.959 -2.925 1.00 0.00 C ATOM 138 C PHE A 12 -4.554 12.083 -4.083 1.00 0.00 C ATOM 139 O PHE A 12 -3.760 11.580 -4.878 1.00 0.00 O ATOM 140 CB PHE A 12 -2.964 13.890 -3.398 1.00 0.00 C ATOM 141 CG PHE A 12 -2.241 14.578 -2.276 1.00 0.00 C ATOM 142 CD1 PHE A 12 -2.889 15.519 -1.491 1.00 0.00 C ATOM 143 CD2 PHE A 12 -0.915 14.283 -2.004 1.00 0.00 C ATOM 144 CE1 PHE A 12 -2.226 16.153 -0.458 1.00 0.00 C ATOM 145 CE2 PHE A 12 -0.247 14.914 -0.972 1.00 0.00 C ATOM 146 CZ PHE A 12 -0.904 15.850 -0.197 1.00 0.00 C ATOM 0 H PHE A 12 -2.810 11.560 -2.019 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.924 13.560 -2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.246 13.315 -3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.387 14.643 -4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.923 15.759 -1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.397 13.551 -2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.741 16.886 0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.787 14.676 -0.772 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.385 16.344 0.611 1.00 0.00 H new ATOM 156 N PRO A 13 -5.878 11.895 -4.180 1.00 0.00 N ATOM 157 CA PRO A 13 -6.487 11.081 -5.236 1.00 0.00 C ATOM 158 C PRO A 13 -6.380 11.737 -6.608 1.00 0.00 C ATOM 159 O PRO A 13 -5.918 12.870 -6.731 1.00 0.00 O ATOM 160 CB PRO A 13 -7.952 10.978 -4.805 1.00 0.00 C ATOM 161 CG PRO A 13 -8.186 12.187 -3.967 1.00 0.00 C ATOM 162 CD PRO A 13 -6.884 12.464 -3.267 1.00 0.00 C ATOM 0 HA PRO A 13 -5.992 10.116 -5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.618 10.959 -5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.135 10.064 -4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.487 13.035 -4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.987 12.014 -3.248 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.729 13.532 -3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.848 11.993 -2.285 1.00 0.00 H new ATOM 170 N ALA A 14 -6.812 11.016 -7.639 1.00 0.00 N ATOM 171 CA ALA A 14 -6.767 11.530 -9.002 1.00 0.00 C ATOM 172 C ALA A 14 -8.170 11.803 -9.532 1.00 0.00 C ATOM 173 O ALA A 14 -8.438 11.636 -10.722 1.00 0.00 O ATOM 174 CB ALA A 14 -6.038 10.551 -9.911 1.00 0.00 C ATOM 0 H ALA A 14 -7.197 10.075 -7.555 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.222 12.474 -8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.012 10.947 -10.926 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.019 10.409 -9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.560 9.594 -9.909 1.00 0.00 H new ATOM 180 N SER A 15 -9.062 12.224 -8.642 1.00 0.00 N ATOM 181 CA SER A 15 -10.440 12.516 -9.019 1.00 0.00 C ATOM 182 C SER A 15 -10.734 14.008 -8.892 1.00 0.00 C ATOM 183 O SER A 15 -10.035 14.731 -8.181 1.00 0.00 O ATOM 184 CB SER A 15 -11.411 11.718 -8.147 1.00 0.00 C ATOM 185 OG SER A 15 -11.365 10.338 -8.465 1.00 0.00 O ATOM 0 H SER A 15 -8.855 12.371 -7.654 1.00 0.00 H new ATOM 0 HA SER A 15 -10.574 12.224 -10.060 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.162 11.861 -7.095 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.424 12.093 -8.288 1.00 0.00 H new ATOM 0 HG SER A 15 -11.993 9.849 -7.893 1.00 0.00 H new ATOM 191 N HIS A 16 -11.772 14.462 -9.586 1.00 0.00 N ATOM 192 CA HIS A 16 -12.160 15.868 -9.551 1.00 0.00 C ATOM 193 C HIS A 16 -13.528 16.038 -8.899 1.00 0.00 C ATOM 194 O HIS A 16 -14.522 15.479 -9.363 1.00 0.00 O ATOM 195 CB HIS A 16 -12.180 16.448 -10.966 1.00 0.00 C ATOM 196 CG HIS A 16 -12.663 17.865 -11.025 1.00 0.00 C ATOM 197 ND1 HIS A 16 -12.020 18.906 -10.390 1.00 0.00 N ATOM 198 CD2 HIS A 16 -13.733 18.410 -11.649 1.00 0.00 C ATOM 199 CE1 HIS A 16 -12.674 20.031 -10.620 1.00 0.00 C ATOM 200 NE2 HIS A 16 -13.717 19.757 -11.383 1.00 0.00 N ATOM 0 H HIS A 16 -12.360 13.877 -10.180 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.424 16.408 -8.955 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -11.175 16.397 -11.385 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.819 15.828 -11.595 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -14.464 17.883 -12.245 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.402 21.008 -10.248 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.400 20.436 -11.720 1.00 0.00 H new ATOM 209 N VAL A 17 -13.572 16.812 -7.820 1.00 0.00 N ATOM 210 CA VAL A 17 -14.819 17.056 -7.104 1.00 0.00 C ATOM 211 C VAL A 17 -15.113 18.549 -7.006 1.00 0.00 C ATOM 212 O VAL A 17 -14.199 19.369 -6.921 1.00 0.00 O ATOM 213 CB VAL A 17 -14.778 16.458 -5.685 1.00 0.00 C ATOM 214 CG1 VAL A 17 -14.809 14.939 -5.745 1.00 0.00 C ATOM 215 CG2 VAL A 17 -13.545 16.945 -4.938 1.00 0.00 C ATOM 0 H VAL A 17 -12.759 17.281 -7.422 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.611 16.569 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 17 -15.661 16.794 -5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.779 14.534 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -15.724 14.613 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.946 14.579 -6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.532 16.513 -3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.648 16.639 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.570 18.032 -4.864 1.00 0.00 H new ATOM 225 N LYS A 18 -16.396 18.895 -7.017 1.00 0.00 N ATOM 226 CA LYS A 18 -16.813 20.290 -6.928 1.00 0.00 C ATOM 227 C LYS A 18 -17.913 20.463 -5.885 1.00 0.00 C ATOM 228 O LYS A 18 -18.841 21.251 -6.071 1.00 0.00 O ATOM 229 CB LYS A 18 -17.305 20.785 -8.290 1.00 0.00 C ATOM 230 CG LYS A 18 -18.365 19.894 -8.914 1.00 0.00 C ATOM 231 CD LYS A 18 -19.765 20.321 -8.503 1.00 0.00 C ATOM 232 CE LYS A 18 -20.795 19.942 -9.556 1.00 0.00 C ATOM 233 NZ LYS A 18 -22.179 19.960 -9.009 1.00 0.00 N ATOM 0 H LYS A 18 -17.165 18.229 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.950 20.882 -6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -17.708 21.791 -8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.456 20.856 -8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.277 19.928 -10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.196 18.860 -8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.025 19.853 -7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -19.786 21.399 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.727 20.634 -10.396 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -20.570 18.948 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.851 19.696 -9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -22.251 19.282 -8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -22.403 20.915 -8.663 1.00 0.00 H new ATOM 247 N LEU A 19 -17.802 19.723 -4.787 1.00 0.00 N ATOM 248 CA LEU A 19 -18.786 19.796 -3.713 1.00 0.00 C ATOM 249 C LEU A 19 -18.141 20.268 -2.414 1.00 0.00 C ATOM 250 O LEU A 19 -17.007 19.901 -2.102 1.00 0.00 O ATOM 251 CB LEU A 19 -19.442 18.430 -3.502 1.00 0.00 C ATOM 252 CG LEU A 19 -18.756 17.503 -2.498 1.00 0.00 C ATOM 253 CD1 LEU A 19 -19.708 16.407 -2.047 1.00 0.00 C ATOM 254 CD2 LEU A 19 -17.495 16.903 -3.102 1.00 0.00 C ATOM 0 H LEU A 19 -17.041 19.066 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 19 -19.549 20.519 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.470 18.590 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -19.489 17.920 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 19 -18.472 18.090 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -19.202 15.757 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -20.582 16.856 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.024 15.821 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.020 16.246 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -17.755 16.330 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.806 17.702 -3.374 1.00 0.00 H new ATOM 266 N LEU A 20 -18.871 21.082 -1.659 1.00 0.00 N ATOM 267 CA LEU A 20 -18.371 21.604 -0.391 1.00 0.00 C ATOM 268 C LEU A 20 -19.407 21.434 0.714 1.00 0.00 C ATOM 269 O LEU A 20 -19.449 22.213 1.666 1.00 0.00 O ATOM 270 CB LEU A 20 -17.999 23.080 -0.536 1.00 0.00 C ATOM 271 CG LEU A 20 -19.007 23.956 -1.281 1.00 0.00 C ATOM 272 CD1 LEU A 20 -20.028 24.536 -0.315 1.00 0.00 C ATOM 273 CD2 LEU A 20 -18.293 25.068 -2.035 1.00 0.00 C ATOM 0 H LEU A 20 -19.811 21.395 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.481 21.037 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.852 23.497 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.041 23.144 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.534 23.334 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.737 25.156 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.563 23.725 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.518 25.143 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -19.026 25.681 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.739 25.688 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.602 24.633 -2.757 1.00 0.00 H new ATOM 285 N GLY A 21 -20.243 20.408 0.583 1.00 0.00 N ATOM 286 CA GLY A 21 -21.267 20.153 1.579 1.00 0.00 C ATOM 287 C GLY A 21 -20.713 19.490 2.824 1.00 0.00 C ATOM 288 O GLY A 21 -19.828 18.636 2.758 1.00 0.00 O ATOM 0 H GLY A 21 -20.229 19.749 -0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -21.744 21.094 1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -22.040 19.518 1.146 1.00 0.00 H new ATOM 292 N PRO A 22 -21.236 19.887 3.993 1.00 0.00 N ATOM 293 CA PRO A 22 -20.802 19.340 5.282 1.00 0.00 C ATOM 294 C PRO A 22 -21.232 17.889 5.470 1.00 0.00 C ATOM 295 O PRO A 22 -22.407 17.556 5.319 1.00 0.00 O ATOM 296 CB PRO A 22 -21.500 20.241 6.304 1.00 0.00 C ATOM 297 CG PRO A 22 -22.697 20.767 5.590 1.00 0.00 C ATOM 298 CD PRO A 22 -22.293 20.901 4.148 1.00 0.00 C ATOM 0 HA PRO A 22 -19.716 19.329 5.375 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -21.785 19.682 7.195 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.846 21.050 6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -23.544 20.089 5.697 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -23.005 21.729 6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.131 20.713 3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -21.925 21.902 3.925 1.00 0.00 H new ATOM 306 N SER A 23 -20.273 17.030 5.801 1.00 0.00 N ATOM 307 CA SER A 23 -20.553 15.614 6.006 1.00 0.00 C ATOM 308 C SER A 23 -21.054 15.359 7.425 1.00 0.00 C ATOM 309 O SER A 23 -22.089 14.724 7.625 1.00 0.00 O ATOM 310 CB SER A 23 -19.298 14.781 5.739 1.00 0.00 C ATOM 311 OG SER A 23 -19.586 13.394 5.791 1.00 0.00 O ATOM 0 H SER A 23 -19.296 17.290 5.933 1.00 0.00 H new ATOM 0 HA SER A 23 -21.333 15.318 5.305 1.00 0.00 H new ATOM 0 HB2 SER A 23 -18.891 15.035 4.760 1.00 0.00 H new ATOM 0 HB3 SER A 23 -18.532 15.025 6.476 1.00 0.00 H new ATOM 0 HG SER A 23 -18.768 12.883 5.616 1.00 0.00 H new ATOM 317 N SER A 24 -20.311 15.860 8.407 1.00 0.00 N ATOM 318 CA SER A 24 -20.676 15.684 9.807 1.00 0.00 C ATOM 319 C SER A 24 -20.919 14.211 10.125 1.00 0.00 C ATOM 320 O SER A 24 -21.879 13.864 10.812 1.00 0.00 O ATOM 321 CB SER A 24 -21.927 16.501 10.137 1.00 0.00 C ATOM 322 OG SER A 24 -21.928 16.907 11.495 1.00 0.00 O ATOM 0 H SER A 24 -19.453 16.391 8.258 1.00 0.00 H new ATOM 0 HA SER A 24 -19.847 16.038 10.420 1.00 0.00 H new ATOM 0 HB2 SER A 24 -21.973 17.378 9.492 1.00 0.00 H new ATOM 0 HB3 SER A 24 -22.818 15.907 9.931 1.00 0.00 H new ATOM 0 HG SER A 24 -22.737 17.429 11.680 1.00 0.00 H new ATOM 328 N GLU A 25 -20.041 13.351 9.619 1.00 0.00 N ATOM 329 CA GLU A 25 -20.160 11.916 9.847 1.00 0.00 C ATOM 330 C GLU A 25 -19.301 11.480 11.031 1.00 0.00 C ATOM 331 O GLU A 25 -18.276 12.094 11.327 1.00 0.00 O ATOM 332 CB GLU A 25 -19.750 11.141 8.593 1.00 0.00 C ATOM 333 CG GLU A 25 -20.900 10.883 7.634 1.00 0.00 C ATOM 334 CD GLU A 25 -21.804 9.757 8.097 1.00 0.00 C ATOM 335 OE1 GLU A 25 -22.718 10.023 8.904 1.00 0.00 O ATOM 336 OE2 GLU A 25 -21.596 8.609 7.651 1.00 0.00 O ATOM 0 H GLU A 25 -19.240 13.623 9.049 1.00 0.00 H new ATOM 0 HA GLU A 25 -21.203 11.696 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -18.971 11.697 8.071 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -19.316 10.187 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -21.488 11.794 7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -20.500 10.641 6.649 1.00 0.00 H new ATOM 343 N ARG A 26 -19.729 10.417 11.705 1.00 0.00 N ATOM 344 CA ARG A 26 -19.001 9.900 12.858 1.00 0.00 C ATOM 345 C ARG A 26 -17.757 9.134 12.416 1.00 0.00 C ATOM 346 O ARG A 26 -17.833 8.239 11.576 1.00 0.00 O ATOM 347 CB ARG A 26 -19.904 8.990 13.692 1.00 0.00 C ATOM 348 CG ARG A 26 -20.988 9.738 14.451 1.00 0.00 C ATOM 349 CD ARG A 26 -21.811 8.798 15.318 1.00 0.00 C ATOM 350 NE ARG A 26 -23.062 9.411 15.756 1.00 0.00 N ATOM 351 CZ ARG A 26 -23.778 8.967 16.782 1.00 0.00 C ATOM 352 NH1 ARG A 26 -23.369 7.912 17.473 1.00 0.00 N ATOM 353 NH2 ARG A 26 -24.906 9.579 17.120 1.00 0.00 N ATOM 0 H ARG A 26 -20.575 9.897 11.473 1.00 0.00 H new ATOM 0 HA ARG A 26 -18.688 10.747 13.468 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -20.372 8.256 13.036 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -19.291 8.436 14.403 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -20.532 10.506 15.076 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -21.642 10.249 13.744 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.030 7.888 14.759 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -21.227 8.504 16.190 1.00 0.00 H new ATOM 0 HE ARG A 26 -23.404 10.225 15.246 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -22.502 7.439 17.217 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -23.921 7.573 18.261 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -25.224 10.391 16.591 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -25.455 9.237 17.908 1.00 0.00 H new ATOM 367 N ALA A 27 -16.613 9.494 12.989 1.00 0.00 N ATOM 368 CA ALA A 27 -15.353 8.840 12.655 1.00 0.00 C ATOM 369 C ALA A 27 -14.930 7.872 13.755 1.00 0.00 C ATOM 370 O ALA A 27 -14.739 8.267 14.906 1.00 0.00 O ATOM 371 CB ALA A 27 -14.267 9.877 12.416 1.00 0.00 C ATOM 0 H ALA A 27 -16.533 10.234 13.686 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.500 8.268 11.739 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.332 9.374 12.168 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.560 10.527 11.591 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -14.129 10.474 13.317 1.00 0.00 H new ATOM 377 N THR A 28 -14.784 6.600 13.394 1.00 0.00 N ATOM 378 CA THR A 28 -14.385 5.576 14.351 1.00 0.00 C ATOM 379 C THR A 28 -12.870 5.412 14.381 1.00 0.00 C ATOM 380 O THR A 28 -12.192 5.499 13.357 1.00 0.00 O ATOM 381 CB THR A 28 -15.031 4.217 14.020 1.00 0.00 C ATOM 382 OG1 THR A 28 -14.769 3.869 12.656 1.00 0.00 O ATOM 383 CG2 THR A 28 -16.533 4.259 14.258 1.00 0.00 C ATOM 0 H THR A 28 -14.936 6.255 12.446 1.00 0.00 H new ATOM 0 HA THR A 28 -14.731 5.906 15.331 1.00 0.00 H new ATOM 0 HB THR A 28 -14.596 3.464 14.677 1.00 0.00 H new ATOM 0 HG1 THR A 28 -15.181 3.003 12.454 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.967 3.288 14.017 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.729 4.495 15.304 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.981 5.024 13.623 1.00 0.00 H new ATOM 391 N PRO A 29 -12.324 5.168 15.581 1.00 0.00 N ATOM 392 CA PRO A 29 -10.882 4.985 15.773 1.00 0.00 C ATOM 393 C PRO A 29 -10.378 3.679 15.169 1.00 0.00 C ATOM 394 O PRO A 29 -9.179 3.507 14.951 1.00 0.00 O ATOM 395 CB PRO A 29 -10.726 4.966 17.295 1.00 0.00 C ATOM 396 CG PRO A 29 -12.050 4.511 17.806 1.00 0.00 C ATOM 397 CD PRO A 29 -13.072 5.051 16.844 1.00 0.00 C ATOM 0 HA PRO A 29 -10.303 5.767 15.282 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -9.929 4.289 17.603 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.472 5.954 17.679 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -12.097 3.423 17.855 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.228 4.884 18.815 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.925 4.379 16.745 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.462 6.015 17.171 1.00 0.00 H new ATOM 405 N ALA A 30 -11.301 2.761 14.901 1.00 0.00 N ATOM 406 CA ALA A 30 -10.950 1.471 14.320 1.00 0.00 C ATOM 407 C ALA A 30 -10.684 1.598 12.823 1.00 0.00 C ATOM 408 O ALA A 30 -11.288 2.427 12.143 1.00 0.00 O ATOM 409 CB ALA A 30 -12.055 0.458 14.578 1.00 0.00 C ATOM 0 H ALA A 30 -12.298 2.887 15.077 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.034 1.122 14.797 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.780 -0.501 14.139 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.195 0.338 15.652 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.983 0.810 14.128 1.00 0.00 H new ATOM 415 N PHE A 31 -9.775 0.770 12.317 1.00 0.00 N ATOM 416 CA PHE A 31 -9.428 0.790 10.901 1.00 0.00 C ATOM 417 C PHE A 31 -9.676 -0.572 10.260 1.00 0.00 C ATOM 418 O PHE A 31 -9.429 -1.612 10.872 1.00 0.00 O ATOM 419 CB PHE A 31 -7.963 1.193 10.719 1.00 0.00 C ATOM 420 CG PHE A 31 -6.995 0.087 11.029 1.00 0.00 C ATOM 421 CD1 PHE A 31 -6.530 -0.103 12.320 1.00 0.00 C ATOM 422 CD2 PHE A 31 -6.550 -0.762 10.028 1.00 0.00 C ATOM 423 CE1 PHE A 31 -5.639 -1.120 12.607 1.00 0.00 C ATOM 424 CE2 PHE A 31 -5.658 -1.780 10.310 1.00 0.00 C ATOM 425 CZ PHE A 31 -5.203 -1.960 11.601 1.00 0.00 C ATOM 0 H PHE A 31 -9.266 0.078 12.866 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.064 1.525 10.407 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.810 1.522 9.691 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.746 2.046 11.362 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.867 0.551 13.111 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.904 -0.627 9.017 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.284 -1.258 13.618 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.317 -2.434 9.521 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.508 -2.756 11.824 1.00 0.00 H new ATOM 435 N HIS A 32 -10.167 -0.558 9.025 1.00 0.00 N ATOM 436 CA HIS A 32 -10.449 -1.792 8.300 1.00 0.00 C ATOM 437 C HIS A 32 -9.823 -1.761 6.909 1.00 0.00 C ATOM 438 O HIS A 32 -10.321 -1.107 5.992 1.00 0.00 O ATOM 439 CB HIS A 32 -11.958 -2.009 8.188 1.00 0.00 C ATOM 440 CG HIS A 32 -12.734 -0.740 8.015 1.00 0.00 C ATOM 441 ND1 HIS A 32 -12.379 0.448 7.472 1.00 0.00 N flip ATOM 442 CD2 HIS A 32 -14.042 -0.595 8.427 1.00 0.00 C flip ATOM 443 CE1 HIS A 32 -13.468 1.280 7.563 1.00 0.00 C flip ATOM 444 NE2 HIS A 32 -14.459 0.626 8.143 1.00 0.00 N flip ATOM 0 H HIS A 32 -10.378 0.294 8.505 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.011 -2.620 8.858 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.160 -2.667 7.343 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.311 -2.522 9.083 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -14.633 -1.361 8.907 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.508 2.302 7.217 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -15.388 1.000 8.338 1.00 0.00 H new ATOM 453 N PRO A 33 -8.704 -2.482 6.747 1.00 0.00 N ATOM 454 CA PRO A 33 -7.985 -2.553 5.471 1.00 0.00 C ATOM 455 C PRO A 33 -8.759 -3.332 4.413 1.00 0.00 C ATOM 456 O PRO A 33 -9.757 -3.987 4.715 1.00 0.00 O ATOM 457 CB PRO A 33 -6.690 -3.283 5.833 1.00 0.00 C ATOM 458 CG PRO A 33 -7.033 -4.088 7.038 1.00 0.00 C ATOM 459 CD PRO A 33 -8.054 -3.285 7.796 1.00 0.00 C ATOM 0 HA PRO A 33 -7.826 -1.566 5.037 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.352 -3.919 5.015 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.884 -2.579 6.043 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.434 -5.062 6.756 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.149 -4.272 7.649 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.768 -3.927 8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.588 -2.655 8.554 1.00 0.00 H new ATOM 467 N VAL A 34 -8.291 -3.259 3.171 1.00 0.00 N ATOM 468 CA VAL A 34 -8.938 -3.959 2.068 1.00 0.00 C ATOM 469 C VAL A 34 -8.269 -5.303 1.802 1.00 0.00 C ATOM 470 O VAL A 34 -8.926 -6.268 1.410 1.00 0.00 O ATOM 471 CB VAL A 34 -8.909 -3.120 0.776 1.00 0.00 C ATOM 472 CG1 VAL A 34 -9.923 -1.989 0.851 1.00 0.00 C ATOM 473 CG2 VAL A 34 -7.510 -2.577 0.525 1.00 0.00 C ATOM 0 H VAL A 34 -7.466 -2.722 2.904 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.974 -4.124 2.363 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.180 -3.764 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.888 -1.407 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.922 -2.404 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.686 -1.344 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.508 -1.987 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.208 -1.948 1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.810 -3.407 0.424 1.00 0.00 H new ATOM 483 N CYS A 35 -6.960 -5.359 2.020 1.00 0.00 N ATOM 484 CA CYS A 35 -6.201 -6.586 1.804 1.00 0.00 C ATOM 485 C CYS A 35 -4.815 -6.486 2.434 1.00 0.00 C ATOM 486 O CYS A 35 -4.493 -5.497 3.091 1.00 0.00 O ATOM 487 CB CYS A 35 -6.075 -6.876 0.307 1.00 0.00 C ATOM 488 SG CYS A 35 -7.428 -7.865 -0.370 1.00 0.00 S ATOM 0 H CYS A 35 -6.402 -4.570 2.346 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.739 -7.405 2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.026 -5.930 -0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.134 -7.396 0.126 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.542 -7.533 0.212 1.00 0.00 H new ATOM 494 N GLN A 36 -4.002 -7.517 2.229 1.00 0.00 N ATOM 495 CA GLN A 36 -2.652 -7.545 2.779 1.00 0.00 C ATOM 496 C GLN A 36 -1.623 -7.807 1.684 1.00 0.00 C ATOM 497 O GLN A 36 -1.713 -8.798 0.958 1.00 0.00 O ATOM 498 CB GLN A 36 -2.544 -8.618 3.864 1.00 0.00 C ATOM 499 CG GLN A 36 -1.307 -8.477 4.737 1.00 0.00 C ATOM 500 CD GLN A 36 -0.987 -9.745 5.505 1.00 0.00 C ATOM 501 OE1 GLN A 36 -1.065 -10.848 4.964 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.623 -9.593 6.773 1.00 0.00 N ATOM 0 H GLN A 36 -4.254 -8.343 1.687 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.446 -6.570 3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.431 -8.575 4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.536 -9.601 3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.455 -8.210 4.112 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.455 -7.658 5.441 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.572 -8.659 7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.394 -10.410 7.339 1.00 0.00 H new ATOM 511 N VAL A 37 -0.647 -6.913 1.570 1.00 0.00 N ATOM 512 CA VAL A 37 0.400 -7.047 0.564 1.00 0.00 C ATOM 513 C VAL A 37 1.775 -7.151 1.212 1.00 0.00 C ATOM 514 O VAL A 37 1.937 -6.865 2.399 1.00 0.00 O ATOM 515 CB VAL A 37 0.394 -5.858 -0.415 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.911 -5.814 -1.195 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.621 -4.552 0.333 1.00 0.00 C ATOM 0 H VAL A 37 -0.559 -6.087 2.162 1.00 0.00 H new ATOM 0 HA VAL A 37 0.192 -7.963 0.012 1.00 0.00 H new ATOM 0 HB VAL A 37 1.210 -5.991 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.896 -4.967 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.028 -6.738 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.745 -5.705 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.614 -3.722 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.172 -4.410 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.584 -4.587 0.842 1.00 0.00 H new ATOM 527 N ILE A 38 2.764 -7.563 0.426 1.00 0.00 N ATOM 528 CA ILE A 38 4.127 -7.703 0.923 1.00 0.00 C ATOM 529 C ILE A 38 5.093 -6.824 0.137 1.00 0.00 C ATOM 530 O ILE A 38 4.942 -6.645 -1.071 1.00 0.00 O ATOM 531 CB ILE A 38 4.606 -9.165 0.850 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.658 -9.435 1.927 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.164 -9.471 -0.532 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.659 -10.863 2.426 1.00 0.00 C ATOM 0 H ILE A 38 2.647 -7.806 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 38 4.116 -7.384 1.965 1.00 0.00 H new ATOM 0 HB ILE A 38 3.754 -9.820 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.644 -9.197 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.485 -8.765 2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.498 -10.508 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.388 -9.314 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.006 -8.811 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.430 -10.982 3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.685 -11.099 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.863 -11.539 1.595 1.00 0.00 H new ATOM 546 N ALA A 39 6.087 -6.278 0.830 1.00 0.00 N ATOM 547 CA ALA A 39 7.080 -5.420 0.196 1.00 0.00 C ATOM 548 C ALA A 39 8.043 -6.236 -0.660 1.00 0.00 C ATOM 549 O ALA A 39 8.674 -7.176 -0.177 1.00 0.00 O ATOM 550 CB ALA A 39 7.845 -4.631 1.248 1.00 0.00 C ATOM 0 H ALA A 39 6.226 -6.415 1.831 1.00 0.00 H new ATOM 0 HA ALA A 39 6.557 -4.721 -0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.583 -3.995 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.150 -4.012 1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.351 -5.321 1.924 1.00 0.00 H new ATOM 556 N MET A 40 8.151 -5.870 -1.933 1.00 0.00 N ATOM 557 CA MET A 40 9.039 -6.568 -2.856 1.00 0.00 C ATOM 558 C MET A 40 10.486 -6.129 -2.656 1.00 0.00 C ATOM 559 O MET A 40 11.406 -6.945 -2.714 1.00 0.00 O ATOM 560 CB MET A 40 8.611 -6.311 -4.302 1.00 0.00 C ATOM 561 CG MET A 40 7.282 -6.953 -4.665 1.00 0.00 C ATOM 562 SD MET A 40 7.136 -7.296 -6.430 1.00 0.00 S ATOM 563 CE MET A 40 7.396 -5.662 -7.115 1.00 0.00 C ATOM 0 H MET A 40 7.635 -5.095 -2.349 1.00 0.00 H new ATOM 0 HA MET A 40 8.970 -7.636 -2.649 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.543 -5.236 -4.467 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.383 -6.688 -4.973 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.167 -7.883 -4.107 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.469 -6.295 -4.358 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.480 -5.319 -7.596 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.667 -4.972 -6.316 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.199 -5.700 -7.851 1.00 0.00 H new ATOM 573 N TYR A 41 10.680 -4.836 -2.421 1.00 0.00 N ATOM 574 CA TYR A 41 12.015 -4.288 -2.215 1.00 0.00 C ATOM 575 C TYR A 41 12.046 -3.373 -0.995 1.00 0.00 C ATOM 576 O TYR A 41 11.019 -2.834 -0.583 1.00 0.00 O ATOM 577 CB TYR A 41 12.470 -3.519 -3.456 1.00 0.00 C ATOM 578 CG TYR A 41 11.943 -4.093 -4.752 1.00 0.00 C ATOM 579 CD1 TYR A 41 10.729 -3.670 -5.279 1.00 0.00 C ATOM 580 CD2 TYR A 41 12.658 -5.059 -5.449 1.00 0.00 C ATOM 581 CE1 TYR A 41 10.243 -4.192 -6.462 1.00 0.00 C ATOM 582 CE2 TYR A 41 12.181 -5.586 -6.633 1.00 0.00 C ATOM 583 CZ TYR A 41 10.972 -5.149 -7.135 1.00 0.00 C ATOM 584 OH TYR A 41 10.492 -5.672 -8.314 1.00 0.00 O ATOM 0 H TYR A 41 9.929 -4.148 -2.368 1.00 0.00 H new ATOM 0 HA TYR A 41 12.699 -5.119 -2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.146 -2.482 -3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.559 -3.511 -3.489 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.155 -2.920 -4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 41 13.604 -5.404 -5.058 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.297 -3.852 -6.857 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.750 -6.335 -7.163 1.00 0.00 H new ATOM 0 HH TYR A 41 11.127 -6.334 -8.661 1.00 0.00 H new ATOM 594 N ASP A 42 13.233 -3.200 -0.424 1.00 0.00 N ATOM 595 CA ASP A 42 13.401 -2.349 0.748 1.00 0.00 C ATOM 596 C ASP A 42 13.064 -0.898 0.418 1.00 0.00 C ATOM 597 O ASP A 42 13.864 -0.187 -0.190 1.00 0.00 O ATOM 598 CB ASP A 42 14.834 -2.445 1.274 1.00 0.00 C ATOM 599 CG ASP A 42 15.854 -2.556 0.158 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.886 -3.608 -0.513 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.621 -1.591 -0.043 1.00 0.00 O ATOM 0 H ASP A 42 14.093 -3.638 -0.754 1.00 0.00 H new ATOM 0 HA ASP A 42 12.715 -2.697 1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.056 -1.566 1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.920 -3.312 1.929 1.00 0.00 H new ATOM 606 N TYR A 43 11.874 -0.466 0.823 1.00 0.00 N ATOM 607 CA TYR A 43 11.430 0.899 0.567 1.00 0.00 C ATOM 608 C TYR A 43 11.794 1.818 1.729 1.00 0.00 C ATOM 609 O TYR A 43 11.580 1.479 2.893 1.00 0.00 O ATOM 610 CB TYR A 43 9.918 0.930 0.333 1.00 0.00 C ATOM 611 CG TYR A 43 9.433 2.203 -0.322 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.514 3.422 0.339 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.892 2.187 -1.602 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.072 4.588 -0.255 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.448 3.348 -2.205 1.00 0.00 C ATOM 616 CZ TYR A 43 8.540 4.546 -1.527 1.00 0.00 C ATOM 617 OH TYR A 43 8.097 5.705 -2.123 1.00 0.00 O ATOM 0 H TYR A 43 11.201 -1.041 1.329 1.00 0.00 H new ATOM 0 HA TYR A 43 11.938 1.257 -0.329 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.638 0.081 -0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.408 0.806 1.288 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.930 3.459 1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.817 1.250 -2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.143 5.527 0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.031 3.318 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 43 7.187 5.572 -2.461 1.00 0.00 H new ATOM 627 N ALA A 44 12.346 2.982 1.404 1.00 0.00 N ATOM 628 CA ALA A 44 12.738 3.952 2.419 1.00 0.00 C ATOM 629 C ALA A 44 12.149 5.327 2.122 1.00 0.00 C ATOM 630 O ALA A 44 12.677 6.074 1.300 1.00 0.00 O ATOM 631 CB ALA A 44 14.254 4.034 2.512 1.00 0.00 C ATOM 0 H ALA A 44 12.532 3.276 0.445 1.00 0.00 H new ATOM 0 HA ALA A 44 12.343 3.617 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.533 4.762 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.655 3.057 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.661 4.342 1.549 1.00 0.00 H new ATOM 637 N ALA A 45 11.050 5.653 2.795 1.00 0.00 N ATOM 638 CA ALA A 45 10.390 6.938 2.604 1.00 0.00 C ATOM 639 C ALA A 45 11.410 8.056 2.414 1.00 0.00 C ATOM 640 O ALA A 45 12.090 8.455 3.358 1.00 0.00 O ATOM 641 CB ALA A 45 9.481 7.245 3.785 1.00 0.00 C ATOM 0 H ALA A 45 10.598 5.044 3.477 1.00 0.00 H new ATOM 0 HA ALA A 45 9.784 6.877 1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.994 8.208 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.724 6.466 3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.073 7.282 4.700 1.00 0.00 H new ATOM 647 N ASN A 46 11.511 8.556 1.187 1.00 0.00 N ATOM 648 CA ASN A 46 12.449 9.627 0.873 1.00 0.00 C ATOM 649 C ASN A 46 12.168 10.863 1.722 1.00 0.00 C ATOM 650 O ASN A 46 13.001 11.762 1.823 1.00 0.00 O ATOM 651 CB ASN A 46 12.368 9.986 -0.612 1.00 0.00 C ATOM 652 CG ASN A 46 13.306 9.150 -1.461 1.00 0.00 C ATOM 653 OD1 ASN A 46 14.478 9.489 -1.629 1.00 0.00 O ATOM 654 ND2 ASN A 46 12.794 8.050 -2.001 1.00 0.00 N ATOM 0 H ASN A 46 10.955 8.237 0.394 1.00 0.00 H new ATOM 0 HA ASN A 46 13.455 9.273 1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.345 9.847 -0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.608 11.041 -0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.378 7.448 -2.582 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.817 7.808 -1.835 1.00 0.00 H new ATOM 661 N ASN A 47 10.987 10.900 2.330 1.00 0.00 N ATOM 662 CA ASN A 47 10.594 12.025 3.171 1.00 0.00 C ATOM 663 C ASN A 47 9.765 11.552 4.361 1.00 0.00 C ATOM 664 O ASN A 47 9.536 10.355 4.533 1.00 0.00 O ATOM 665 CB ASN A 47 9.799 13.046 2.355 1.00 0.00 C ATOM 666 CG ASN A 47 9.039 12.404 1.210 1.00 0.00 C ATOM 667 OD1 ASN A 47 8.539 11.195 1.435 1.00 0.00 O flip ATOM 668 ND2 ASN A 47 8.904 12.990 0.135 1.00 0.00 N flip ATOM 0 H ASN A 47 10.285 10.164 2.256 1.00 0.00 H new ATOM 0 HA ASN A 47 11.501 12.498 3.548 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.097 13.563 3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.479 13.800 1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.305 13.919 0.007 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.391 12.546 -0.627 1.00 0.00 H new ATOM 675 N GLU A 48 9.319 12.500 5.179 1.00 0.00 N ATOM 676 CA GLU A 48 8.516 12.180 6.353 1.00 0.00 C ATOM 677 C GLU A 48 7.045 12.019 5.979 1.00 0.00 C ATOM 678 O GLU A 48 6.168 12.040 6.842 1.00 0.00 O ATOM 679 CB GLU A 48 8.667 13.270 7.416 1.00 0.00 C ATOM 680 CG GLU A 48 9.882 13.085 8.310 1.00 0.00 C ATOM 681 CD GLU A 48 9.962 14.128 9.407 1.00 0.00 C ATOM 682 OE1 GLU A 48 10.462 15.239 9.135 1.00 0.00 O ATOM 683 OE2 GLU A 48 9.525 13.832 10.539 1.00 0.00 O ATOM 0 H GLU A 48 9.500 13.495 5.050 1.00 0.00 H new ATOM 0 HA GLU A 48 8.875 11.235 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.734 14.240 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.770 13.288 8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.850 12.092 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.786 13.132 7.703 1.00 0.00 H new ATOM 690 N ASP A 49 6.784 11.860 4.686 1.00 0.00 N ATOM 691 CA ASP A 49 5.421 11.696 4.196 1.00 0.00 C ATOM 692 C ASP A 49 5.196 10.278 3.680 1.00 0.00 C ATOM 693 O ASP A 49 4.106 9.723 3.819 1.00 0.00 O ATOM 694 CB ASP A 49 5.129 12.708 3.087 1.00 0.00 C ATOM 695 CG ASP A 49 5.435 14.132 3.507 1.00 0.00 C ATOM 696 OD1 ASP A 49 6.546 14.372 4.025 1.00 0.00 O ATOM 697 OD2 ASP A 49 4.565 15.006 3.317 1.00 0.00 O ATOM 0 H ASP A 49 7.499 11.841 3.959 1.00 0.00 H new ATOM 0 HA ASP A 49 4.739 11.874 5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.720 12.457 2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.080 12.635 2.799 1.00 0.00 H new ATOM 702 N GLU A 50 6.233 9.699 3.084 1.00 0.00 N ATOM 703 CA GLU A 50 6.147 8.346 2.546 1.00 0.00 C ATOM 704 C GLU A 50 6.378 7.309 3.641 1.00 0.00 C ATOM 705 O GLU A 50 6.748 7.649 4.766 1.00 0.00 O ATOM 706 CB GLU A 50 7.169 8.154 1.423 1.00 0.00 C ATOM 707 CG GLU A 50 6.797 8.867 0.134 1.00 0.00 C ATOM 708 CD GLU A 50 5.930 10.089 0.372 1.00 0.00 C ATOM 709 OE1 GLU A 50 4.773 9.918 0.811 1.00 0.00 O ATOM 710 OE2 GLU A 50 6.407 11.214 0.118 1.00 0.00 O ATOM 0 H GLU A 50 7.142 10.145 2.961 1.00 0.00 H new ATOM 0 HA GLU A 50 5.144 8.206 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.140 8.515 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.278 7.089 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.707 9.167 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.269 8.174 -0.521 1.00 0.00 H new ATOM 717 N LEU A 51 6.158 6.043 3.305 1.00 0.00 N ATOM 718 CA LEU A 51 6.341 4.955 4.259 1.00 0.00 C ATOM 719 C LEU A 51 7.661 4.231 4.013 1.00 0.00 C ATOM 720 O LEU A 51 7.997 3.902 2.875 1.00 0.00 O ATOM 721 CB LEU A 51 5.179 3.965 4.163 1.00 0.00 C ATOM 722 CG LEU A 51 4.745 3.310 5.475 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.650 2.285 5.224 1.00 0.00 C ATOM 724 CD2 LEU A 51 5.936 2.662 6.167 1.00 0.00 C ATOM 0 H LEU A 51 5.853 5.744 2.379 1.00 0.00 H new ATOM 0 HA LEU A 51 6.364 5.384 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.320 4.484 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.455 3.178 3.461 1.00 0.00 H new ATOM 0 HG LEU A 51 4.346 4.084 6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.354 1.830 6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.788 2.776 4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.022 1.513 4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.609 2.201 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.365 1.900 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.689 3.420 6.382 1.00 0.00 H new ATOM 736 N SER A 52 8.405 3.985 5.087 1.00 0.00 N ATOM 737 CA SER A 52 9.689 3.302 4.987 1.00 0.00 C ATOM 738 C SER A 52 9.591 1.880 5.531 1.00 0.00 C ATOM 739 O SER A 52 9.319 1.672 6.713 1.00 0.00 O ATOM 740 CB SER A 52 10.764 4.078 5.750 1.00 0.00 C ATOM 741 OG SER A 52 10.763 5.447 5.382 1.00 0.00 O ATOM 0 H SER A 52 8.140 4.249 6.036 1.00 0.00 H new ATOM 0 HA SER A 52 9.965 3.252 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.591 3.986 6.822 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.743 3.644 5.547 1.00 0.00 H new ATOM 0 HG SER A 52 10.536 5.995 6.162 1.00 0.00 H new ATOM 747 N PHE A 53 9.814 0.903 4.657 1.00 0.00 N ATOM 748 CA PHE A 53 9.750 -0.501 5.048 1.00 0.00 C ATOM 749 C PHE A 53 10.820 -1.315 4.325 1.00 0.00 C ATOM 750 O PHE A 53 11.394 -0.865 3.334 1.00 0.00 O ATOM 751 CB PHE A 53 8.365 -1.074 4.744 1.00 0.00 C ATOM 752 CG PHE A 53 7.887 -0.782 3.350 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.349 -1.526 2.276 1.00 0.00 C ATOM 754 CD2 PHE A 53 6.978 0.236 3.114 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.912 -1.259 0.992 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.537 0.507 1.832 1.00 0.00 C ATOM 757 CZ PHE A 53 7.004 -0.242 0.770 1.00 0.00 C ATOM 0 H PHE A 53 10.040 1.058 3.675 1.00 0.00 H new ATOM 0 HA PHE A 53 9.933 -0.563 6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.387 -2.154 4.893 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.648 -0.668 5.458 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.058 -2.323 2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.609 0.825 3.941 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.280 -1.845 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.828 1.304 1.661 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.660 -0.033 -0.232 1.00 0.00 H new ATOM 767 N SER A 54 11.081 -2.517 4.830 1.00 0.00 N ATOM 768 CA SER A 54 12.084 -3.393 4.237 1.00 0.00 C ATOM 769 C SER A 54 11.424 -4.570 3.524 1.00 0.00 C ATOM 770 O SER A 54 10.329 -4.997 3.890 1.00 0.00 O ATOM 771 CB SER A 54 13.044 -3.906 5.312 1.00 0.00 C ATOM 772 OG SER A 54 13.879 -2.865 5.789 1.00 0.00 O ATOM 0 H SER A 54 10.612 -2.906 5.648 1.00 0.00 H new ATOM 0 HA SER A 54 12.647 -2.816 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.475 -4.329 6.140 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.657 -4.710 4.903 1.00 0.00 H new ATOM 0 HG SER A 54 14.482 -3.218 6.476 1.00 0.00 H new ATOM 778 N LYS A 55 12.099 -5.090 2.505 1.00 0.00 N ATOM 779 CA LYS A 55 11.581 -6.219 1.740 1.00 0.00 C ATOM 780 C LYS A 55 10.961 -7.263 2.663 1.00 0.00 C ATOM 781 O LYS A 55 11.645 -7.849 3.501 1.00 0.00 O ATOM 782 CB LYS A 55 12.699 -6.855 0.911 1.00 0.00 C ATOM 783 CG LYS A 55 12.290 -8.151 0.232 1.00 0.00 C ATOM 784 CD LYS A 55 13.390 -8.675 -0.676 1.00 0.00 C ATOM 785 CE LYS A 55 13.085 -10.084 -1.164 1.00 0.00 C ATOM 786 NZ LYS A 55 12.281 -10.075 -2.417 1.00 0.00 N ATOM 0 H LYS A 55 13.007 -4.748 2.189 1.00 0.00 H new ATOM 0 HA LYS A 55 10.806 -5.847 1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.026 -6.144 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.555 -7.048 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.053 -8.900 0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.383 -7.988 -0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.505 -8.009 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.339 -8.672 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.019 -10.619 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.544 -10.628 -0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.471 -10.720 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.935 -9.111 -2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.874 -10.388 -3.212 1.00 0.00 H new ATOM 800 N GLY A 56 9.661 -7.490 2.503 1.00 0.00 N ATOM 801 CA GLY A 56 8.971 -8.465 3.328 1.00 0.00 C ATOM 802 C GLY A 56 8.378 -7.849 4.580 1.00 0.00 C ATOM 803 O GLY A 56 8.264 -8.511 5.610 1.00 0.00 O ATOM 0 H GLY A 56 9.073 -7.016 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.177 -8.932 2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.667 -9.255 3.610 1.00 0.00 H new ATOM 807 N GLN A 57 8.001 -6.577 4.490 1.00 0.00 N ATOM 808 CA GLN A 57 7.419 -5.872 5.626 1.00 0.00 C ATOM 809 C GLN A 57 5.909 -6.077 5.678 1.00 0.00 C ATOM 810 O GLN A 57 5.268 -6.313 4.653 1.00 0.00 O ATOM 811 CB GLN A 57 7.741 -4.378 5.544 1.00 0.00 C ATOM 812 CG GLN A 57 7.557 -3.644 6.862 1.00 0.00 C ATOM 813 CD GLN A 57 8.810 -3.652 7.715 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.925 -3.544 7.202 1.00 0.00 O ATOM 815 NE2 GLN A 57 8.635 -3.780 9.025 1.00 0.00 N ATOM 0 H GLN A 57 8.088 -6.015 3.643 1.00 0.00 H new ATOM 0 HA GLN A 57 7.854 -6.281 6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.771 -4.254 5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.103 -3.918 4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.265 -2.613 6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.740 -4.104 7.419 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.693 -3.867 9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.442 -3.792 9.649 1.00 0.00 H new ATOM 824 N LEU A 58 5.346 -5.985 6.877 1.00 0.00 N ATOM 825 CA LEU A 58 3.910 -6.161 7.064 1.00 0.00 C ATOM 826 C LEU A 58 3.147 -4.917 6.619 1.00 0.00 C ATOM 827 O LEU A 58 3.083 -3.924 7.345 1.00 0.00 O ATOM 828 CB LEU A 58 3.599 -6.467 8.530 1.00 0.00 C ATOM 829 CG LEU A 58 2.244 -5.982 9.045 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.136 -6.371 8.078 1.00 0.00 C ATOM 831 CD2 LEU A 58 1.967 -6.546 10.431 1.00 0.00 C ATOM 0 H LEU A 58 5.862 -5.789 7.735 1.00 0.00 H new ATOM 0 HA LEU A 58 3.589 -7.002 6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.655 -7.546 8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.380 -6.022 9.147 1.00 0.00 H new ATOM 0 HG LEU A 58 2.272 -4.895 9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.178 -6.018 8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.327 -5.919 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.107 -7.456 7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.998 -6.190 10.782 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.959 -7.635 10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.745 -6.217 11.120 1.00 0.00 H new ATOM 843 N ILE A 59 2.568 -4.980 5.425 1.00 0.00 N ATOM 844 CA ILE A 59 1.807 -3.860 4.886 1.00 0.00 C ATOM 845 C ILE A 59 0.356 -4.253 4.633 1.00 0.00 C ATOM 846 O ILE A 59 0.079 -5.293 4.036 1.00 0.00 O ATOM 847 CB ILE A 59 2.423 -3.339 3.574 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.787 -2.700 3.843 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.486 -2.342 2.908 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.658 -2.593 2.611 1.00 0.00 C ATOM 0 H ILE A 59 2.611 -5.795 4.813 1.00 0.00 H new ATOM 0 HA ILE A 59 1.841 -3.067 5.633 1.00 0.00 H new ATOM 0 HB ILE A 59 2.566 -4.182 2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.637 -1.704 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.311 -3.286 4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.935 -1.983 1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.536 -2.828 2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.315 -1.500 3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.609 -2.131 2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.839 -3.589 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.155 -1.982 1.861 1.00 0.00 H new ATOM 862 N ASN A 60 -0.568 -3.412 5.089 1.00 0.00 N ATOM 863 CA ASN A 60 -1.992 -3.672 4.910 1.00 0.00 C ATOM 864 C ASN A 60 -2.664 -2.524 4.162 1.00 0.00 C ATOM 865 O ASN A 60 -2.978 -1.487 4.747 1.00 0.00 O ATOM 866 CB ASN A 60 -2.668 -3.876 6.267 1.00 0.00 C ATOM 867 CG ASN A 60 -1.896 -4.828 7.161 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.445 -5.884 6.718 1.00 0.00 O ATOM 869 ND2 ASN A 60 -1.741 -4.457 8.426 1.00 0.00 N ATOM 0 H ASN A 60 -0.356 -2.546 5.584 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.099 -4.581 4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.769 -2.913 6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.675 -4.263 6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.231 -5.057 9.074 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.132 -3.572 8.750 1.00 0.00 H new ATOM 876 N VAL A 61 -2.882 -2.718 2.865 1.00 0.00 N ATOM 877 CA VAL A 61 -3.519 -1.701 2.037 1.00 0.00 C ATOM 878 C VAL A 61 -4.889 -1.323 2.587 1.00 0.00 C ATOM 879 O VAL A 61 -5.763 -2.175 2.744 1.00 0.00 O ATOM 880 CB VAL A 61 -3.676 -2.180 0.582 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.311 -1.094 -0.273 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.330 -2.600 0.011 1.00 0.00 C ATOM 0 H VAL A 61 -2.627 -3.570 2.365 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.870 -0.826 2.055 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.336 -3.048 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.414 -1.451 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.295 -0.846 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.680 -0.205 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.460 -2.936 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.645 -1.752 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.919 -3.414 0.609 1.00 0.00 H new ATOM 892 N MET A 62 -5.070 -0.039 2.878 1.00 0.00 N ATOM 893 CA MET A 62 -6.336 0.453 3.410 1.00 0.00 C ATOM 894 C MET A 62 -7.095 1.251 2.354 1.00 0.00 C ATOM 895 O MET A 62 -8.321 1.183 2.274 1.00 0.00 O ATOM 896 CB MET A 62 -6.092 1.322 4.645 1.00 0.00 C ATOM 897 CG MET A 62 -5.257 0.636 5.715 1.00 0.00 C ATOM 898 SD MET A 62 -4.345 1.806 6.739 1.00 0.00 S ATOM 899 CE MET A 62 -5.497 2.044 8.090 1.00 0.00 C ATOM 0 H MET A 62 -4.357 0.679 2.755 1.00 0.00 H new ATOM 0 HA MET A 62 -6.941 -0.408 3.695 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.592 2.241 4.339 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.053 1.608 5.073 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.909 0.035 6.349 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.555 -0.049 5.239 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.573 3.107 8.320 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.478 1.664 7.803 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.142 1.506 8.969 1.00 0.00 H new ATOM 909 N ASN A 63 -6.358 2.008 1.548 1.00 0.00 N ATOM 910 CA ASN A 63 -6.963 2.820 0.498 1.00 0.00 C ATOM 911 C ASN A 63 -6.142 2.748 -0.786 1.00 0.00 C ATOM 912 O ASN A 63 -5.065 3.336 -0.882 1.00 0.00 O ATOM 913 CB ASN A 63 -7.087 4.274 0.957 1.00 0.00 C ATOM 914 CG ASN A 63 -7.768 5.151 -0.077 1.00 0.00 C ATOM 915 OD1 ASN A 63 -9.096 5.167 -0.056 1.00 0.00 O flip ATOM 916 ND2 ASN A 63 -7.108 5.805 -0.884 1.00 0.00 N flip ATOM 0 H ASN A 63 -5.342 2.076 1.602 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.958 2.424 0.294 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.651 4.311 1.889 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.094 4.671 1.169 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.089 5.762 -0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.580 6.390 -1.574 1.00 0.00 H new ATOM 923 N LYS A 64 -6.659 2.024 -1.773 1.00 0.00 N ATOM 924 CA LYS A 64 -5.977 1.875 -3.053 1.00 0.00 C ATOM 925 C LYS A 64 -6.834 2.417 -4.192 1.00 0.00 C ATOM 926 O LYS A 64 -6.964 1.782 -5.239 1.00 0.00 O ATOM 927 CB LYS A 64 -5.642 0.404 -3.308 1.00 0.00 C ATOM 928 CG LYS A 64 -6.866 -0.481 -3.462 1.00 0.00 C ATOM 929 CD LYS A 64 -6.501 -1.955 -3.398 1.00 0.00 C ATOM 930 CE LYS A 64 -7.431 -2.798 -4.257 1.00 0.00 C ATOM 931 NZ LYS A 64 -8.817 -2.825 -3.711 1.00 0.00 N ATOM 0 H LYS A 64 -7.550 1.531 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.052 2.450 -3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.035 0.330 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.035 0.030 -2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.585 -0.249 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.353 -0.267 -4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.472 -2.091 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.548 -2.298 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.448 -2.401 -5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.045 -3.816 -4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.420 -3.410 -4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.805 -3.228 -2.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.195 -1.857 -3.675 1.00 0.00 H new ATOM 945 N ASP A 65 -7.416 3.592 -3.982 1.00 0.00 N ATOM 946 CA ASP A 65 -8.259 4.220 -4.993 1.00 0.00 C ATOM 947 C ASP A 65 -7.475 4.465 -6.278 1.00 0.00 C ATOM 948 O ASP A 65 -8.045 4.496 -7.369 1.00 0.00 O ATOM 949 CB ASP A 65 -8.825 5.540 -4.467 1.00 0.00 C ATOM 950 CG ASP A 65 -7.742 6.566 -4.193 1.00 0.00 C ATOM 951 OD1 ASP A 65 -6.959 6.364 -3.241 1.00 0.00 O ATOM 952 OD2 ASP A 65 -7.678 7.572 -4.931 1.00 0.00 O ATOM 0 H ASP A 65 -7.320 4.129 -3.120 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.084 3.543 -5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.530 5.945 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.384 5.353 -3.550 1.00 0.00 H new ATOM 957 N ASP A 66 -6.165 4.639 -6.142 1.00 0.00 N ATOM 958 CA ASP A 66 -5.302 4.881 -7.293 1.00 0.00 C ATOM 959 C ASP A 66 -4.393 3.684 -7.551 1.00 0.00 C ATOM 960 O ASP A 66 -3.638 3.247 -6.682 1.00 0.00 O ATOM 961 CB ASP A 66 -4.459 6.138 -7.070 1.00 0.00 C ATOM 962 CG ASP A 66 -5.155 7.395 -7.554 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.032 7.285 -8.437 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.824 8.488 -7.050 1.00 0.00 O ATOM 0 H ASP A 66 -5.677 4.617 -5.246 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.936 5.028 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.233 6.237 -6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.507 6.030 -7.590 1.00 0.00 H new ATOM 969 N PRO A 67 -4.465 3.139 -8.775 1.00 0.00 N ATOM 970 CA PRO A 67 -3.656 1.984 -9.176 1.00 0.00 C ATOM 971 C PRO A 67 -2.178 2.332 -9.312 1.00 0.00 C ATOM 972 O PRO A 67 -1.365 1.490 -9.697 1.00 0.00 O ATOM 973 CB PRO A 67 -4.241 1.597 -10.537 1.00 0.00 C ATOM 974 CG PRO A 67 -4.843 2.855 -11.062 1.00 0.00 C ATOM 975 CD PRO A 67 -5.342 3.608 -9.861 1.00 0.00 C ATOM 0 HA PRO A 67 -3.693 1.184 -8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.469 1.218 -11.207 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.990 0.811 -10.437 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.106 3.441 -11.611 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.658 2.639 -11.753 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.265 4.686 -10.002 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.389 3.387 -9.655 1.00 0.00 H new ATOM 983 N ASP A 68 -1.835 3.575 -8.993 1.00 0.00 N ATOM 984 CA ASP A 68 -0.453 4.033 -9.077 1.00 0.00 C ATOM 985 C ASP A 68 0.236 3.935 -7.720 1.00 0.00 C ATOM 986 O ASP A 68 1.359 3.442 -7.617 1.00 0.00 O ATOM 987 CB ASP A 68 -0.401 5.474 -9.587 1.00 0.00 C ATOM 988 CG ASP A 68 -1.496 5.772 -10.593 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.991 4.819 -11.229 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.856 6.958 -10.744 1.00 0.00 O ATOM 0 H ASP A 68 -2.495 4.284 -8.674 1.00 0.00 H new ATOM 0 HA ASP A 68 0.075 3.388 -9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.491 6.158 -8.743 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.570 5.659 -10.046 1.00 0.00 H new ATOM 995 N TRP A 69 -0.444 4.409 -6.682 1.00 0.00 N ATOM 996 CA TRP A 69 0.104 4.376 -5.330 1.00 0.00 C ATOM 997 C TRP A 69 -0.916 3.819 -4.343 1.00 0.00 C ATOM 998 O TRP A 69 -2.111 4.099 -4.447 1.00 0.00 O ATOM 999 CB TRP A 69 0.537 5.778 -4.899 1.00 0.00 C ATOM 1000 CG TRP A 69 1.905 6.152 -5.384 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.279 6.395 -6.675 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.080 6.325 -4.584 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.616 6.707 -6.726 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.130 6.672 -5.456 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.347 6.222 -3.216 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.424 6.915 -5.003 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.631 6.463 -2.768 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.657 6.807 -3.659 1.00 0.00 C ATOM 0 H TRP A 69 -1.375 4.820 -6.750 1.00 0.00 H new ATOM 0 HA TRP A 69 0.974 3.720 -5.333 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.185 6.504 -5.273 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.516 5.839 -3.811 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.621 6.349 -7.530 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.141 6.929 -7.572 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.563 5.959 -2.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.216 7.179 -5.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.848 6.385 -1.713 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.651 6.990 -3.277 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.439 3.031 -3.387 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.311 2.436 -2.381 1.00 0.00 C ATOM 1021 C TRP A 70 -0.917 2.892 -0.980 1.00 0.00 C ATOM 1022 O TRP A 70 0.221 3.299 -0.749 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.256 0.910 -2.468 1.00 0.00 C ATOM 1024 CG TRP A 70 -1.957 0.358 -3.672 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.766 1.042 -4.535 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.912 -0.992 -4.146 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.227 0.198 -5.516 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.717 -1.055 -5.301 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.270 -2.153 -3.709 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.895 -2.234 -6.020 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.447 -3.323 -4.424 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.254 -3.356 -5.569 1.00 0.00 C ATOM 0 H TRP A 70 0.547 2.789 -3.287 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.330 2.768 -2.577 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.214 0.592 -2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.704 0.486 -1.569 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.007 2.092 -4.457 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.848 0.462 -6.281 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.646 -2.137 -2.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.517 -2.262 -6.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.955 -4.226 -4.095 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.373 -4.285 -6.106 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.864 2.820 -0.051 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.614 3.227 1.327 1.00 0.00 C ATOM 1045 C GLN A 71 -1.747 2.041 2.277 1.00 0.00 C ATOM 1046 O GLN A 71 -2.766 1.353 2.288 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.584 4.336 1.738 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.371 4.836 3.157 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.162 6.094 3.458 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.141 6.403 2.778 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.741 6.827 4.482 1.00 0.00 N ATOM 0 H GLN A 71 -2.811 2.484 -0.227 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.594 3.606 1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.480 5.173 1.047 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.605 3.968 1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.658 4.054 3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.310 5.032 3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.925 6.533 5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.234 7.684 4.732 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.708 1.809 3.074 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.729 0.705 4.016 1.00 0.00 C ATOM 1062 C GLY A 72 -0.199 1.098 5.381 1.00 0.00 C ATOM 1063 O GLY A 72 0.204 2.241 5.591 1.00 0.00 O ATOM 0 H GLY A 72 0.147 2.365 3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.750 0.338 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.132 -0.117 3.621 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.200 0.148 6.311 1.00 0.00 N ATOM 1068 CA GLU A 73 0.283 0.402 7.663 1.00 0.00 C ATOM 1069 C GLU A 73 1.360 -0.605 8.055 1.00 0.00 C ATOM 1070 O GLU A 73 1.480 -1.669 7.447 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.874 0.342 8.662 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.406 -1.062 8.893 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.075 -1.217 10.245 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -1.700 -0.481 11.181 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -2.973 -2.076 10.367 1.00 0.00 O ATOM 0 H GLU A 73 -0.530 -0.804 6.153 1.00 0.00 H new ATOM 0 HA GLU A 73 0.719 1.401 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.543 0.757 9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.686 0.975 8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.120 -1.310 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.585 -1.775 8.814 1.00 0.00 H new ATOM 1082 N ILE A 74 2.141 -0.261 9.073 1.00 0.00 N ATOM 1083 CA ILE A 74 3.208 -1.135 9.546 1.00 0.00 C ATOM 1084 C ILE A 74 3.526 -0.869 11.013 1.00 0.00 C ATOM 1085 O ILE A 74 4.160 0.131 11.350 1.00 0.00 O ATOM 1086 CB ILE A 74 4.492 -0.958 8.714 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.159 -0.943 7.220 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.484 -2.067 9.029 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.380 -0.883 6.330 1.00 0.00 C ATOM 0 H ILE A 74 2.055 0.616 9.586 1.00 0.00 H new ATOM 0 HA ILE A 74 2.850 -2.159 9.433 1.00 0.00 H new ATOM 0 HB ILE A 74 4.948 -0.003 8.976 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.584 -1.836 6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.521 -0.085 7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.386 -1.928 8.433 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.740 -2.036 10.088 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.038 -3.033 8.792 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.069 -0.875 5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.944 0.024 6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.008 -1.754 6.515 1.00 0.00 H new ATOM 1101 N ASN A 75 3.083 -1.771 11.883 1.00 0.00 N ATOM 1102 CA ASN A 75 3.322 -1.635 13.315 1.00 0.00 C ATOM 1103 C ASN A 75 2.789 -0.302 13.831 1.00 0.00 C ATOM 1104 O ASN A 75 3.464 0.400 14.582 1.00 0.00 O ATOM 1105 CB ASN A 75 4.818 -1.750 13.617 1.00 0.00 C ATOM 1106 CG ASN A 75 5.253 -3.184 13.847 1.00 0.00 C ATOM 1107 OD1 ASN A 75 4.901 -3.797 14.855 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.023 -3.726 12.911 1.00 0.00 N ATOM 0 H ASN A 75 2.556 -2.604 11.621 1.00 0.00 H new ATOM 0 HA ASN A 75 2.792 -2.440 13.825 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.387 -1.329 12.788 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.054 -1.156 14.500 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.347 -4.688 13.011 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.290 -3.181 12.092 1.00 0.00 H new ATOM 1115 N GLY A 76 1.571 0.040 13.422 1.00 0.00 N ATOM 1116 CA GLY A 76 0.966 1.287 13.853 1.00 0.00 C ATOM 1117 C GLY A 76 1.501 2.484 13.091 1.00 0.00 C ATOM 1118 O GLY A 76 1.221 3.629 13.444 1.00 0.00 O ATOM 0 H GLY A 76 0.992 -0.524 12.800 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.114 1.228 13.720 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.149 1.427 14.918 1.00 0.00 H new ATOM 1122 N VAL A 77 2.274 2.219 12.042 1.00 0.00 N ATOM 1123 CA VAL A 77 2.849 3.283 11.229 1.00 0.00 C ATOM 1124 C VAL A 77 2.156 3.375 9.874 1.00 0.00 C ATOM 1125 O VAL A 77 1.836 2.358 9.257 1.00 0.00 O ATOM 1126 CB VAL A 77 4.358 3.067 11.008 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.601 2.233 9.759 1.00 0.00 C ATOM 1128 CG2 VAL A 77 5.080 4.403 10.915 1.00 0.00 C ATOM 0 H VAL A 77 2.516 1.277 11.736 1.00 0.00 H new ATOM 0 HA VAL A 77 2.699 4.215 11.775 1.00 0.00 H new ATOM 0 HB VAL A 77 4.758 2.523 11.863 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.673 2.091 9.619 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.118 1.262 9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.187 2.747 8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.145 4.231 10.759 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.679 4.976 10.079 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.934 4.960 11.840 1.00 0.00 H new ATOM 1138 N THR A 78 1.928 4.601 9.414 1.00 0.00 N ATOM 1139 CA THR A 78 1.272 4.827 8.132 1.00 0.00 C ATOM 1140 C THR A 78 2.126 5.706 7.226 1.00 0.00 C ATOM 1141 O THR A 78 2.893 6.543 7.699 1.00 0.00 O ATOM 1142 CB THR A 78 -0.108 5.486 8.316 1.00 0.00 C ATOM 1143 OG1 THR A 78 0.016 6.671 9.109 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.082 4.524 8.980 1.00 0.00 C ATOM 0 H THR A 78 2.188 5.453 9.910 1.00 0.00 H new ATOM 0 HA THR A 78 1.140 3.850 7.667 1.00 0.00 H new ATOM 0 HB THR A 78 -0.495 5.748 7.331 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.866 7.084 9.219 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.050 5.011 9.100 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.197 3.636 8.358 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.698 4.235 9.958 1.00 0.00 H new ATOM 1152 N GLY A 79 1.986 5.512 5.918 1.00 0.00 N ATOM 1153 CA GLY A 79 2.751 6.295 4.965 1.00 0.00 C ATOM 1154 C GLY A 79 2.227 6.158 3.549 1.00 0.00 C ATOM 1155 O GLY A 79 1.035 5.929 3.339 1.00 0.00 O ATOM 0 H GLY A 79 1.356 4.826 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.726 7.344 5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.794 5.980 4.995 1.00 0.00 H new ATOM 1159 N LEU A 80 3.119 6.300 2.574 1.00 0.00 N ATOM 1160 CA LEU A 80 2.740 6.193 1.170 1.00 0.00 C ATOM 1161 C LEU A 80 3.763 5.371 0.392 1.00 0.00 C ATOM 1162 O LEU A 80 4.960 5.421 0.675 1.00 0.00 O ATOM 1163 CB LEU A 80 2.608 7.584 0.549 1.00 0.00 C ATOM 1164 CG LEU A 80 1.494 8.467 1.111 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.648 9.899 0.621 1.00 0.00 C ATOM 1166 CD2 LEU A 80 0.129 7.914 0.726 1.00 0.00 C ATOM 0 H LEU A 80 4.109 6.489 2.730 1.00 0.00 H new ATOM 0 HA LEU A 80 1.777 5.686 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.556 8.107 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.446 7.468 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 80 1.571 8.467 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.846 10.512 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.610 10.294 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.598 9.918 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.652 8.555 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.042 7.883 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.018 6.907 1.127 1.00 0.00 H new ATOM 1178 N PHE A 81 3.283 4.616 -0.591 1.00 0.00 N ATOM 1179 CA PHE A 81 4.155 3.784 -1.412 1.00 0.00 C ATOM 1180 C PHE A 81 3.448 3.353 -2.693 1.00 0.00 C ATOM 1181 O PHE A 81 2.223 3.251 -2.752 1.00 0.00 O ATOM 1182 CB PHE A 81 4.607 2.552 -0.626 1.00 0.00 C ATOM 1183 CG PHE A 81 3.471 1.776 -0.022 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.550 1.130 -0.830 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.325 1.693 1.353 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.503 0.415 -0.278 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.282 0.979 1.911 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.369 0.341 1.094 1.00 0.00 C ATOM 0 H PHE A 81 2.295 4.563 -0.838 1.00 0.00 H new ATOM 0 HA PHE A 81 5.030 4.375 -1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.173 1.896 -1.288 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.285 2.866 0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.651 1.185 -1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.035 2.192 1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.792 -0.085 -0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.181 0.920 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.551 -0.215 1.528 1.00 0.00 H new ATOM 1198 N PRO A 82 4.238 3.093 -3.746 1.00 0.00 N ATOM 1199 CA PRO A 82 3.710 2.669 -5.046 1.00 0.00 C ATOM 1200 C PRO A 82 3.135 1.257 -5.005 1.00 0.00 C ATOM 1201 O PRO A 82 3.591 0.412 -4.235 1.00 0.00 O ATOM 1202 CB PRO A 82 4.937 2.720 -5.960 1.00 0.00 C ATOM 1203 CG PRO A 82 6.099 2.543 -5.045 1.00 0.00 C ATOM 1204 CD PRO A 82 5.707 3.193 -3.748 1.00 0.00 C ATOM 0 HA PRO A 82 2.887 3.302 -5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.903 1.933 -6.713 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.994 3.669 -6.493 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.324 1.486 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.995 3.006 -5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.146 2.679 -2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.039 4.230 -3.702 1.00 0.00 H new ATOM 1212 N SER A 83 2.131 1.008 -5.840 1.00 0.00 N ATOM 1213 CA SER A 83 1.491 -0.301 -5.896 1.00 0.00 C ATOM 1214 C SER A 83 2.372 -1.305 -6.632 1.00 0.00 C ATOM 1215 O SER A 83 1.975 -2.447 -6.859 1.00 0.00 O ATOM 1216 CB SER A 83 0.130 -0.197 -6.588 1.00 0.00 C ATOM 1217 OG SER A 83 -0.234 -1.430 -7.184 1.00 0.00 O ATOM 0 H SER A 83 1.744 1.695 -6.487 1.00 0.00 H new ATOM 0 HA SER A 83 1.346 -0.651 -4.874 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.629 0.098 -5.863 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.164 0.583 -7.349 1.00 0.00 H new ATOM 0 HG SER A 83 -0.854 -1.908 -6.594 1.00 0.00 H new ATOM 1223 N ASN A 84 3.572 -0.870 -7.002 1.00 0.00 N ATOM 1224 CA ASN A 84 4.512 -1.730 -7.713 1.00 0.00 C ATOM 1225 C ASN A 84 5.573 -2.278 -6.764 1.00 0.00 C ATOM 1226 O ASN A 84 6.253 -3.257 -7.074 1.00 0.00 O ATOM 1227 CB ASN A 84 5.180 -0.959 -8.853 1.00 0.00 C ATOM 1228 CG ASN A 84 4.184 -0.497 -9.899 1.00 0.00 C ATOM 1229 OD1 ASN A 84 2.978 -0.698 -9.756 1.00 0.00 O ATOM 1230 ND2 ASN A 84 4.686 0.127 -10.959 1.00 0.00 N ATOM 0 H ASN A 84 3.917 0.073 -6.821 1.00 0.00 H new ATOM 0 HA ASN A 84 3.954 -2.569 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.703 -0.094 -8.446 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.931 -1.592 -9.325 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.065 0.461 -11.696 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.693 0.272 -11.036 1.00 0.00 H new ATOM 1237 N TYR A 85 5.710 -1.640 -5.607 1.00 0.00 N ATOM 1238 CA TYR A 85 6.690 -2.061 -4.612 1.00 0.00 C ATOM 1239 C TYR A 85 6.090 -3.089 -3.658 1.00 0.00 C ATOM 1240 O TYR A 85 6.731 -3.505 -2.692 1.00 0.00 O ATOM 1241 CB TYR A 85 7.200 -0.853 -3.825 1.00 0.00 C ATOM 1242 CG TYR A 85 8.415 -0.198 -4.440 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.338 0.433 -5.676 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.641 -0.209 -3.786 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.447 1.032 -6.242 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.754 0.389 -4.344 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.652 1.008 -5.573 1.00 0.00 C ATOM 1248 OH TYR A 85 11.758 1.605 -6.133 1.00 0.00 O ATOM 0 H TYR A 85 5.155 -0.829 -5.335 1.00 0.00 H new ATOM 0 HA TYR A 85 7.527 -2.524 -5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.400 -0.116 -3.748 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.442 -1.167 -2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.395 0.455 -6.203 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.725 -0.694 -2.825 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.370 1.517 -7.204 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.699 0.372 -3.821 1.00 0.00 H new ATOM 0 HH TYR A 85 12.526 1.499 -5.533 1.00 0.00 H new ATOM 1258 N VAL A 86 4.855 -3.495 -3.936 1.00 0.00 N ATOM 1259 CA VAL A 86 4.168 -4.475 -3.104 1.00 0.00 C ATOM 1260 C VAL A 86 3.500 -5.548 -3.957 1.00 0.00 C ATOM 1261 O VAL A 86 3.172 -5.317 -5.121 1.00 0.00 O ATOM 1262 CB VAL A 86 3.103 -3.808 -2.213 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.731 -2.718 -1.357 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.974 -3.246 -3.062 1.00 0.00 C ATOM 0 H VAL A 86 4.310 -3.160 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 86 4.925 -4.937 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 86 2.685 -4.564 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.964 -2.258 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.502 -3.154 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.177 -1.961 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.231 -2.779 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.373 -2.503 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.507 -4.053 -3.627 1.00 0.00 H new ATOM 1274 N LYS A 87 3.300 -6.723 -3.370 1.00 0.00 N ATOM 1275 CA LYS A 87 2.670 -7.833 -4.075 1.00 0.00 C ATOM 1276 C LYS A 87 1.667 -8.549 -3.175 1.00 0.00 C ATOM 1277 O LYS A 87 2.039 -9.144 -2.165 1.00 0.00 O ATOM 1278 CB LYS A 87 3.730 -8.823 -4.562 1.00 0.00 C ATOM 1279 CG LYS A 87 3.317 -9.596 -5.803 1.00 0.00 C ATOM 1280 CD LYS A 87 3.406 -8.735 -7.052 1.00 0.00 C ATOM 1281 CE LYS A 87 2.521 -9.274 -8.165 1.00 0.00 C ATOM 1282 NZ LYS A 87 3.242 -10.260 -9.017 1.00 0.00 N ATOM 0 H LYS A 87 3.565 -6.931 -2.407 1.00 0.00 H new ATOM 0 HA LYS A 87 2.137 -7.428 -4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.652 -8.281 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.951 -9.529 -3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.957 -10.471 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.297 -9.960 -5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.110 -7.714 -6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.440 -8.695 -7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.639 -9.745 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.170 -8.447 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.606 -10.604 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.070 -9.804 -9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.555 -11.061 -8.432 1.00 0.00 H new ATOM 1296 N MET A 88 0.393 -8.488 -3.551 1.00 0.00 N ATOM 1297 CA MET A 88 -0.663 -9.133 -2.779 1.00 0.00 C ATOM 1298 C MET A 88 -0.189 -10.472 -2.223 1.00 0.00 C ATOM 1299 O MET A 88 0.196 -11.367 -2.976 1.00 0.00 O ATOM 1300 CB MET A 88 -1.905 -9.338 -3.647 1.00 0.00 C ATOM 1301 CG MET A 88 -2.804 -8.114 -3.722 1.00 0.00 C ATOM 1302 SD MET A 88 -4.334 -8.430 -4.622 1.00 0.00 S ATOM 1303 CE MET A 88 -5.006 -6.774 -4.738 1.00 0.00 C ATOM 0 H MET A 88 0.068 -7.999 -4.385 1.00 0.00 H new ATOM 0 HA MET A 88 -0.917 -8.482 -1.942 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.593 -9.611 -4.655 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.479 -10.177 -3.253 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.043 -7.781 -2.712 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.264 -7.300 -4.206 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.956 -6.803 -5.271 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.164 -6.374 -3.736 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.307 -6.135 -5.277 1.00 0.00 H new ATOM 1313 N THR A 89 -0.220 -10.603 -0.901 1.00 0.00 N ATOM 1314 CA THR A 89 0.207 -11.832 -0.244 1.00 0.00 C ATOM 1315 C THR A 89 -0.620 -13.023 -0.714 1.00 0.00 C ATOM 1316 O THR A 89 -0.083 -14.095 -0.993 1.00 0.00 O ATOM 1317 CB THR A 89 0.098 -11.718 1.288 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.229 -11.325 1.656 1.00 0.00 O ATOM 1319 CG2 THR A 89 1.100 -10.709 1.828 1.00 0.00 C ATOM 0 H THR A 89 -0.537 -9.872 -0.264 1.00 0.00 H new ATOM 0 HA THR A 89 1.251 -11.988 -0.515 1.00 0.00 H new ATOM 0 HB THR A 89 0.321 -12.694 1.720 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.319 -10.353 1.568 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.004 -10.646 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.111 -11.026 1.571 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.904 -9.731 1.389 1.00 0.00 H new ATOM 1327 N THR A 90 -1.933 -12.828 -0.801 1.00 0.00 N ATOM 1328 CA THR A 90 -2.835 -13.886 -1.237 1.00 0.00 C ATOM 1329 C THR A 90 -2.853 -15.039 -0.240 1.00 0.00 C ATOM 1330 O THR A 90 -2.931 -16.206 -0.627 1.00 0.00 O ATOM 1331 CB THR A 90 -2.438 -14.427 -2.624 1.00 0.00 C ATOM 1332 OG1 THR A 90 -2.078 -13.343 -3.488 1.00 0.00 O ATOM 1333 CG2 THR A 90 -3.580 -15.219 -3.243 1.00 0.00 C ATOM 0 H THR A 90 -2.394 -11.947 -0.575 1.00 0.00 H new ATOM 0 HA THR A 90 -3.831 -13.447 -1.298 1.00 0.00 H new ATOM 0 HB THR A 90 -1.583 -15.091 -2.500 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.825 -13.695 -4.367 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.276 -15.591 -4.222 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.831 -16.060 -2.597 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.452 -14.574 -3.354 1.00 0.00 H new ATOM 1341 N ASP A 91 -2.780 -14.706 1.044 1.00 0.00 N ATOM 1342 CA ASP A 91 -2.789 -15.715 2.097 1.00 0.00 C ATOM 1343 C ASP A 91 -4.205 -15.945 2.617 1.00 0.00 C ATOM 1344 O ASP A 91 -4.941 -14.995 2.883 1.00 0.00 O ATOM 1345 CB ASP A 91 -1.873 -15.291 3.246 1.00 0.00 C ATOM 1346 CG ASP A 91 -2.502 -14.229 4.127 1.00 0.00 C ATOM 1347 OD1 ASP A 91 -2.584 -13.065 3.684 1.00 0.00 O ATOM 1348 OD2 ASP A 91 -2.912 -14.562 5.258 1.00 0.00 O ATOM 0 H ASP A 91 -2.714 -13.745 1.381 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.420 -16.650 1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.628 -16.163 3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -0.936 -14.912 2.839 1.00 0.00 H new ATOM 1353 N SER A 92 -4.580 -17.212 2.757 1.00 0.00 N ATOM 1354 CA SER A 92 -5.909 -17.567 3.240 1.00 0.00 C ATOM 1355 C SER A 92 -6.082 -17.163 4.701 1.00 0.00 C ATOM 1356 O SER A 92 -5.278 -17.529 5.558 1.00 0.00 O ATOM 1357 CB SER A 92 -6.148 -19.070 3.084 1.00 0.00 C ATOM 1358 OG SER A 92 -6.001 -19.471 1.732 1.00 0.00 O ATOM 0 H SER A 92 -3.982 -18.010 2.543 1.00 0.00 H new ATOM 0 HA SER A 92 -6.642 -17.026 2.641 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.444 -19.620 3.709 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.149 -19.321 3.434 1.00 0.00 H new ATOM 0 HG SER A 92 -6.157 -20.436 1.658 1.00 0.00 H new ATOM 1364 N SER A 93 -7.138 -16.404 4.978 1.00 0.00 N ATOM 1365 CA SER A 93 -7.416 -15.946 6.334 1.00 0.00 C ATOM 1366 C SER A 93 -8.915 -15.968 6.618 1.00 0.00 C ATOM 1367 O SER A 93 -9.701 -15.333 5.916 1.00 0.00 O ATOM 1368 CB SER A 93 -6.867 -14.533 6.540 1.00 0.00 C ATOM 1369 OG SER A 93 -5.452 -14.540 6.603 1.00 0.00 O ATOM 0 H SER A 93 -7.815 -16.093 4.281 1.00 0.00 H new ATOM 0 HA SER A 93 -6.922 -16.625 7.029 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.195 -13.890 5.723 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.273 -14.112 7.460 1.00 0.00 H new ATOM 0 HG SER A 93 -5.084 -14.566 5.695 1.00 0.00 H new ATOM 1375 N GLY A 94 -9.304 -16.704 7.655 1.00 0.00 N ATOM 1376 CA GLY A 94 -10.707 -16.796 8.015 1.00 0.00 C ATOM 1377 C GLY A 94 -11.451 -17.825 7.188 1.00 0.00 C ATOM 1378 O GLY A 94 -10.852 -18.692 6.550 1.00 0.00 O ATOM 0 H GLY A 94 -8.673 -17.238 8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.792 -17.053 9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.177 -15.821 7.885 1.00 0.00 H new ATOM 1382 N PRO A 95 -12.790 -17.739 7.194 1.00 0.00 N ATOM 1383 CA PRO A 95 -13.646 -18.663 6.444 1.00 0.00 C ATOM 1384 C PRO A 95 -13.541 -18.458 4.937 1.00 0.00 C ATOM 1385 O PRO A 95 -13.481 -17.325 4.458 1.00 0.00 O ATOM 1386 CB PRO A 95 -15.055 -18.319 6.934 1.00 0.00 C ATOM 1387 CG PRO A 95 -14.962 -16.903 7.388 1.00 0.00 C ATOM 1388 CD PRO A 95 -13.571 -16.732 7.932 1.00 0.00 C ATOM 0 HA PRO A 95 -13.365 -19.703 6.609 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.790 -18.432 6.137 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.363 -18.976 7.747 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.145 -16.216 6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.709 -16.689 8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.193 -15.724 7.759 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.536 -16.905 9.008 1.00 0.00 H new ATOM 1396 N SER A 96 -13.520 -19.559 4.194 1.00 0.00 N ATOM 1397 CA SER A 96 -13.419 -19.499 2.740 1.00 0.00 C ATOM 1398 C SER A 96 -14.702 -20.004 2.085 1.00 0.00 C ATOM 1399 O SER A 96 -14.660 -20.722 1.086 1.00 0.00 O ATOM 1400 CB SER A 96 -12.226 -20.326 2.256 1.00 0.00 C ATOM 1401 OG SER A 96 -12.289 -21.651 2.754 1.00 0.00 O ATOM 0 H SER A 96 -13.572 -20.504 4.574 1.00 0.00 H new ATOM 0 HA SER A 96 -13.271 -18.458 2.453 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.210 -20.344 1.166 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.298 -19.856 2.581 1.00 0.00 H new ATOM 0 HG SER A 96 -11.517 -22.160 2.429 1.00 0.00 H new ATOM 1407 N SER A 97 -15.840 -19.623 2.656 1.00 0.00 N ATOM 1408 CA SER A 97 -17.135 -20.039 2.132 1.00 0.00 C ATOM 1409 C SER A 97 -17.707 -18.980 1.194 1.00 0.00 C ATOM 1410 O SER A 97 -17.837 -17.814 1.562 1.00 0.00 O ATOM 1411 CB SER A 97 -18.113 -20.302 3.278 1.00 0.00 C ATOM 1412 OG SER A 97 -19.356 -20.776 2.790 1.00 0.00 O ATOM 0 H SER A 97 -15.891 -19.027 3.482 1.00 0.00 H new ATOM 0 HA SER A 97 -16.991 -20.961 1.568 1.00 0.00 H new ATOM 0 HB2 SER A 97 -17.686 -21.033 3.964 1.00 0.00 H new ATOM 0 HB3 SER A 97 -18.268 -19.384 3.846 1.00 0.00 H new ATOM 0 HG SER A 97 -19.963 -20.938 3.542 1.00 0.00 H new ATOM 1418 N GLY A 98 -18.047 -19.397 -0.022 1.00 0.00 N ATOM 1419 CA GLY A 98 -18.601 -18.473 -0.995 1.00 0.00 C ATOM 1420 C GLY A 98 -18.529 -19.011 -2.411 1.00 0.00 C ATOM 1421 O GLY A 98 -18.736 -20.202 -2.641 1.00 0.00 O ATOM 0 H GLY A 98 -17.949 -20.358 -0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -19.640 -18.263 -0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.062 -17.527 -0.941 1.00 0.00 H new TER 1425 GLY A 98