USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1053 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 115 GLN : amide:sc= 0.876 K(o=1.5,f=-3.7!) USER MOD Set 1.2: A 117 TYR OH : rot -154:sc= 0.619 USER MOD Set 2.1: A 116 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 125 LYS NZ :NH3+ -153:sc= -0.215 (180deg=-1.09) USER MOD Set 3.1: A 45 ASN :FLIP amide:sc= -0.589 F(o=-1.5,f=-0.59) USER MOD Set 3.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 18 MET CE :methyl 167:sc= -1.46 (180deg=-1.78) USER MOD Set 4.2: A 21 MET CE :methyl -154:sc= -0.28 (180deg=-1.42!) USER MOD Set 4.3: A 76 THR OG1 : rot -88:sc= -0.167 USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.0439 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.404! USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0544 USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.0758 (180deg=-0.678) USER MOD Single : A 11 SER OG : rot 84:sc= 0.35 USER MOD Single : A 13 ASN : amide:sc= -4.16! C(o=-4.2!,f=-7.7!) USER MOD Single : A 14 TYR OH : rot -140:sc= -4.73! USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= -0.0608 (180deg=-0.643) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.455! C(o=-5.4!,f=-0.45!) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= -0.0788 (180deg=-0.466) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.1 (180deg=-0.608) USER MOD Single : A 33 HIS : no HD1:sc= -0.499 K(o=-0.5,f=-1.4) USER MOD Single : A 35 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 178:sc= -0.777 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -3.69! C(o=-3.7!,f=-4.1!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.64 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -39:sc= -0.244! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.128 K(o=-0.13,f=-3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0695 USER MOD Single : A 69 ASN :FLIP amide:sc= -3.5 F(o=-8.2!,f=-3.5) USER MOD Single : A 71 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= -3.27! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.14! C(o=-1.1!,f=-1.3!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 143:sc= -2.69! (180deg=-5.11!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -110:sc= -1.24 USER MOD Single : A 98 ASN : amide:sc= -0.854! X(o=-0.85!,f=-1.1) USER MOD Single : A 100 ASN : amide:sc= -2.14! C(o=-2.1!,f=-1.8!) USER MOD Single : A 103 ASN :FLIP amide:sc= -1.36! C(o=-5!,f=-1.4!) USER MOD Single : A 104 THR OG1 : rot 68:sc= 0.0889 USER MOD Single : A 119 TYR OH : rot 121:sc= -5.16 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 159:sc= -0.189 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 119.020 5.292 -11.320 1.00 0.00 N ATOM 2 CA ALA A 1 117.668 4.977 -10.778 1.00 0.00 C ATOM 3 C ALA A 1 116.600 5.465 -11.758 1.00 0.00 C ATOM 4 O ALA A 1 116.767 6.467 -12.425 1.00 0.00 O ATOM 5 CB ALA A 1 117.483 5.678 -9.431 1.00 0.00 C ATOM 0 H1 ALA A 1 119.633 5.630 -10.550 1.00 0.00 H new ATOM 0 H2 ALA A 1 119.433 4.436 -11.741 1.00 0.00 H new ATOM 0 H3 ALA A 1 118.939 6.031 -12.047 1.00 0.00 H new ATOM 0 HA ALA A 1 117.572 3.900 -10.643 1.00 0.00 H new ATOM 0 HB1 ALA A 1 116.494 5.448 -9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 1 118.244 5.331 -8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 1 117.578 6.755 -9.565 1.00 0.00 H new ATOM 13 N PHE A 2 115.501 4.766 -11.852 1.00 0.00 N ATOM 14 CA PHE A 2 114.426 5.194 -12.789 1.00 0.00 C ATOM 15 C PHE A 2 113.627 6.327 -12.169 1.00 0.00 C ATOM 16 O PHE A 2 112.477 6.519 -12.498 1.00 0.00 O ATOM 17 CB PHE A 2 113.473 4.032 -13.070 1.00 0.00 C ATOM 18 CG PHE A 2 114.251 2.794 -13.446 1.00 0.00 C ATOM 19 CD1 PHE A 2 113.882 1.558 -12.908 1.00 0.00 C ATOM 20 CD2 PHE A 2 115.333 2.877 -14.334 1.00 0.00 C ATOM 21 CE1 PHE A 2 114.591 0.404 -13.251 1.00 0.00 C ATOM 22 CE2 PHE A 2 116.043 1.721 -14.677 1.00 0.00 C ATOM 23 CZ PHE A 2 115.673 0.484 -14.136 1.00 0.00 C ATOM 0 H PHE A 2 115.302 3.918 -11.321 1.00 0.00 H new ATOM 0 HA PHE A 2 114.891 5.522 -13.718 1.00 0.00 H new ATOM 0 HB2 PHE A 2 112.863 3.832 -12.189 1.00 0.00 H new ATOM 0 HB3 PHE A 2 112.791 4.300 -13.877 1.00 0.00 H new ATOM 0 HD1 PHE A 2 113.047 1.495 -12.226 1.00 0.00 H new ATOM 0 HD2 PHE A 2 115.618 3.831 -14.752 1.00 0.00 H new ATOM 0 HE1 PHE A 2 114.304 -0.550 -12.833 1.00 0.00 H new ATOM 0 HE2 PHE A 2 116.877 1.783 -15.360 1.00 0.00 H new ATOM 0 HZ PHE A 2 116.222 -0.408 -14.401 1.00 0.00 H new ATOM 33 N ASP A 3 114.219 7.076 -11.281 1.00 0.00 N ATOM 34 CA ASP A 3 113.478 8.209 -10.640 1.00 0.00 C ATOM 35 C ASP A 3 112.197 8.472 -11.435 1.00 0.00 C ATOM 36 O ASP A 3 112.159 9.318 -12.305 1.00 0.00 O ATOM 37 CB ASP A 3 114.358 9.461 -10.651 1.00 0.00 C ATOM 38 CG ASP A 3 113.863 10.447 -9.591 1.00 0.00 C ATOM 39 OD1 ASP A 3 113.384 11.502 -9.971 1.00 0.00 O ATOM 40 OD2 ASP A 3 113.975 10.129 -8.419 1.00 0.00 O ATOM 0 H ASP A 3 115.183 6.956 -10.969 1.00 0.00 H new ATOM 0 HA ASP A 3 113.227 7.957 -9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.395 9.190 -10.454 1.00 0.00 H new ATOM 0 HB3 ASP A 3 114.332 9.927 -11.636 1.00 0.00 H new ATOM 45 N SER A 4 111.156 7.729 -11.155 1.00 0.00 N ATOM 46 CA SER A 4 109.875 7.897 -11.905 1.00 0.00 C ATOM 47 C SER A 4 108.947 6.722 -11.602 1.00 0.00 C ATOM 48 O SER A 4 108.791 6.316 -10.471 1.00 0.00 O ATOM 49 CB SER A 4 110.147 7.939 -13.414 1.00 0.00 C ATOM 50 OG SER A 4 108.909 7.915 -14.113 1.00 0.00 O ATOM 0 H SER A 4 111.139 7.008 -10.434 1.00 0.00 H new ATOM 0 HA SER A 4 109.407 8.832 -11.595 1.00 0.00 H new ATOM 0 HB2 SER A 4 110.705 8.839 -13.670 1.00 0.00 H new ATOM 0 HB3 SER A 4 110.761 7.088 -13.709 1.00 0.00 H new ATOM 0 HG SER A 4 109.078 7.943 -15.078 1.00 0.00 H new ATOM 56 N THR A 5 108.313 6.197 -12.610 1.00 0.00 N ATOM 57 CA THR A 5 107.358 5.064 -12.403 1.00 0.00 C ATOM 58 C THR A 5 108.058 3.700 -12.491 1.00 0.00 C ATOM 59 O THR A 5 108.778 3.406 -13.424 1.00 0.00 O ATOM 60 CB THR A 5 106.261 5.134 -13.467 1.00 0.00 C ATOM 61 OG1 THR A 5 105.412 6.241 -13.198 1.00 0.00 O ATOM 62 CG2 THR A 5 105.441 3.843 -13.445 1.00 0.00 C ATOM 0 H THR A 5 108.413 6.503 -13.578 1.00 0.00 H new ATOM 0 HA THR A 5 106.935 5.160 -11.403 1.00 0.00 H new ATOM 0 HB THR A 5 106.716 5.255 -14.450 1.00 0.00 H new ATOM 0 HG1 THR A 5 104.710 6.288 -13.880 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.660 3.895 -14.204 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.093 2.994 -13.653 1.00 0.00 H new ATOM 0 HG23 THR A 5 104.985 3.718 -12.463 1.00 0.00 H new ATOM 70 N TRP A 6 107.805 2.859 -11.520 1.00 0.00 N ATOM 71 CA TRP A 6 108.391 1.485 -11.499 1.00 0.00 C ATOM 72 C TRP A 6 107.223 0.494 -11.414 1.00 0.00 C ATOM 73 O TRP A 6 106.093 0.886 -11.208 1.00 0.00 O ATOM 74 CB TRP A 6 109.285 1.288 -10.273 1.00 0.00 C ATOM 75 CG TRP A 6 110.424 2.259 -10.267 1.00 0.00 C ATOM 76 CD1 TRP A 6 110.323 3.594 -10.451 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.839 1.983 -10.057 1.00 0.00 C ATOM 78 NE1 TRP A 6 111.579 4.158 -10.333 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.547 3.204 -10.102 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.569 0.803 -9.830 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.929 3.258 -9.923 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.962 0.851 -9.655 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.640 2.077 -9.700 1.00 0.00 C ATOM 0 H TRP A 6 107.204 3.073 -10.724 1.00 0.00 H new ATOM 0 HA TRP A 6 108.995 1.331 -12.393 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.694 1.412 -9.366 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.673 0.269 -10.263 1.00 0.00 H new ATOM 0 HD1 TRP A 6 109.410 4.132 -10.657 1.00 0.00 H new ATOM 0 HE1 TRP A 6 111.767 5.158 -10.408 1.00 0.00 H new ATOM 0 HE3 TRP A 6 112.056 -0.146 -9.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.445 4.206 -9.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.514 -0.062 -9.485 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.711 2.108 -9.562 1.00 0.00 H new ATOM 94 N LYS A 7 107.465 -0.781 -11.568 1.00 0.00 N ATOM 95 CA LYS A 7 106.335 -1.751 -11.488 1.00 0.00 C ATOM 96 C LYS A 7 106.803 -3.051 -10.833 1.00 0.00 C ATOM 97 O LYS A 7 107.726 -3.693 -11.295 1.00 0.00 O ATOM 98 CB LYS A 7 105.814 -2.046 -12.895 1.00 0.00 C ATOM 99 CG LYS A 7 106.782 -2.988 -13.616 1.00 0.00 C ATOM 100 CD LYS A 7 106.519 -2.933 -15.121 1.00 0.00 C ATOM 101 CE LYS A 7 107.636 -3.671 -15.861 1.00 0.00 C ATOM 102 NZ LYS A 7 107.876 -4.990 -15.211 1.00 0.00 N ATOM 0 H LYS A 7 108.384 -1.188 -11.743 1.00 0.00 H new ATOM 0 HA LYS A 7 105.537 -1.317 -10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 7 104.824 -2.499 -12.839 1.00 0.00 H new ATOM 0 HB3 LYS A 7 105.709 -1.118 -13.456 1.00 0.00 H new ATOM 0 HG2 LYS A 7 107.812 -2.700 -13.405 1.00 0.00 H new ATOM 0 HG3 LYS A 7 106.655 -4.007 -13.251 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.555 -3.387 -15.349 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.470 -1.897 -15.455 1.00 0.00 H new ATOM 0 HE2 LYS A 7 107.362 -3.813 -16.906 1.00 0.00 H new ATOM 0 HE3 LYS A 7 108.549 -3.076 -15.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 108.366 -5.621 -15.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 108.464 -4.857 -14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 106.966 -5.413 -14.938 1.00 0.00 H new ATOM 116 N VAL A 8 106.174 -3.446 -9.758 1.00 0.00 N ATOM 117 CA VAL A 8 106.583 -4.702 -9.079 1.00 0.00 C ATOM 118 C VAL A 8 106.860 -5.782 -10.120 1.00 0.00 C ATOM 119 O VAL A 8 105.961 -6.330 -10.726 1.00 0.00 O ATOM 120 CB VAL A 8 105.477 -5.154 -8.118 1.00 0.00 C ATOM 121 CG1 VAL A 8 104.127 -4.648 -8.617 1.00 0.00 C ATOM 122 CG2 VAL A 8 105.448 -6.684 -8.028 1.00 0.00 C ATOM 0 H VAL A 8 105.395 -2.951 -9.324 1.00 0.00 H new ATOM 0 HA VAL A 8 107.494 -4.526 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 8 105.679 -4.743 -7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 8 103.342 -4.970 -7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 8 104.142 -3.559 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.931 -5.053 -9.610 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.659 -6.993 -7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 8 105.256 -7.103 -9.016 1.00 0.00 H new ATOM 0 HG23 VAL A 8 106.409 -7.045 -7.661 1.00 0.00 H new ATOM 132 N ASP A 9 108.108 -6.101 -10.317 1.00 0.00 N ATOM 133 CA ASP A 9 108.461 -7.156 -11.297 1.00 0.00 C ATOM 134 C ASP A 9 108.598 -8.475 -10.544 1.00 0.00 C ATOM 135 O ASP A 9 108.329 -9.536 -11.071 1.00 0.00 O ATOM 136 CB ASP A 9 109.788 -6.809 -11.976 1.00 0.00 C ATOM 137 CG ASP A 9 110.034 -7.771 -13.140 1.00 0.00 C ATOM 138 OD1 ASP A 9 109.360 -7.635 -14.148 1.00 0.00 O ATOM 139 OD2 ASP A 9 110.891 -8.627 -13.003 1.00 0.00 O ATOM 0 H ASP A 9 108.900 -5.673 -9.838 1.00 0.00 H new ATOM 0 HA ASP A 9 107.688 -7.235 -12.062 1.00 0.00 H new ATOM 0 HB2 ASP A 9 109.765 -5.781 -12.339 1.00 0.00 H new ATOM 0 HB3 ASP A 9 110.605 -6.875 -11.257 1.00 0.00 H new ATOM 144 N ARG A 10 109.000 -8.412 -9.302 1.00 0.00 N ATOM 145 CA ARG A 10 109.140 -9.664 -8.504 1.00 0.00 C ATOM 146 C ARG A 10 108.886 -9.364 -7.021 1.00 0.00 C ATOM 147 O ARG A 10 108.874 -8.224 -6.605 1.00 0.00 O ATOM 148 CB ARG A 10 110.549 -10.241 -8.679 1.00 0.00 C ATOM 149 CG ARG A 10 111.045 -9.979 -10.102 1.00 0.00 C ATOM 150 CD ARG A 10 112.447 -10.568 -10.270 1.00 0.00 C ATOM 151 NE ARG A 10 112.842 -10.513 -11.705 1.00 0.00 N ATOM 152 CZ ARG A 10 112.310 -11.342 -12.563 1.00 0.00 C ATOM 153 NH1 ARG A 10 112.662 -11.298 -13.818 1.00 0.00 N ATOM 154 NH2 ARG A 10 111.428 -12.216 -12.163 1.00 0.00 N ATOM 0 H ARG A 10 109.236 -7.552 -8.808 1.00 0.00 H new ATOM 0 HA ARG A 10 108.410 -10.393 -8.855 1.00 0.00 H new ATOM 0 HB2 ARG A 10 111.229 -9.788 -7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 10 110.540 -11.312 -8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 10 110.362 -10.426 -10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 10 111.063 -8.907 -10.301 1.00 0.00 H new ATOM 0 HD2 ARG A 10 113.162 -10.011 -9.664 1.00 0.00 H new ATOM 0 HD3 ARG A 10 112.464 -11.599 -9.917 1.00 0.00 H new ATOM 0 HE ARG A 10 113.529 -9.827 -12.018 1.00 0.00 H new ATOM 0 HH11 ARG A 10 113.353 -10.616 -14.130 1.00 0.00 H new ATOM 0 HH12 ARG A 10 112.246 -11.946 -14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 10 111.154 -12.252 -11.181 1.00 0.00 H new ATOM 0 HH22 ARG A 10 111.012 -12.864 -12.832 1.00 0.00 H new ATOM 168 N SER A 11 108.676 -10.381 -6.226 1.00 0.00 N ATOM 169 CA SER A 11 108.417 -10.159 -4.771 1.00 0.00 C ATOM 170 C SER A 11 108.493 -11.501 -4.033 1.00 0.00 C ATOM 171 O SER A 11 108.705 -12.534 -4.638 1.00 0.00 O ATOM 172 CB SER A 11 107.025 -9.554 -4.587 1.00 0.00 C ATOM 173 OG SER A 11 106.648 -9.652 -3.219 1.00 0.00 O ATOM 0 H SER A 11 108.673 -11.357 -6.522 1.00 0.00 H new ATOM 0 HA SER A 11 109.164 -9.476 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 11 107.025 -8.511 -4.903 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.303 -10.077 -5.214 1.00 0.00 H new ATOM 0 HG SER A 11 107.031 -8.901 -2.719 1.00 0.00 H new ATOM 179 N GLU A 12 108.325 -11.502 -2.736 1.00 0.00 N ATOM 180 CA GLU A 12 108.393 -12.789 -1.987 1.00 0.00 C ATOM 181 C GLU A 12 107.599 -12.684 -0.680 1.00 0.00 C ATOM 182 O GLU A 12 107.391 -11.608 -0.149 1.00 0.00 O ATOM 183 CB GLU A 12 109.859 -13.124 -1.680 1.00 0.00 C ATOM 184 CG GLU A 12 110.299 -12.422 -0.391 1.00 0.00 C ATOM 185 CD GLU A 12 110.030 -13.336 0.807 1.00 0.00 C ATOM 186 OE1 GLU A 12 109.333 -14.322 0.630 1.00 0.00 O ATOM 187 OE2 GLU A 12 110.526 -13.034 1.880 1.00 0.00 O ATOM 0 H GLU A 12 108.145 -10.674 -2.168 1.00 0.00 H new ATOM 0 HA GLU A 12 107.959 -13.581 -2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 12 109.980 -14.202 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.493 -12.811 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 12 111.359 -12.175 -0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.759 -11.483 -0.274 1.00 0.00 H new ATOM 194 N ASN A 13 107.161 -13.803 -0.161 1.00 0.00 N ATOM 195 CA ASN A 13 106.381 -13.800 1.111 1.00 0.00 C ATOM 196 C ASN A 13 105.111 -12.963 0.942 1.00 0.00 C ATOM 197 O ASN A 13 104.187 -13.350 0.255 1.00 0.00 O ATOM 198 CB ASN A 13 107.238 -13.217 2.241 1.00 0.00 C ATOM 199 CG ASN A 13 108.096 -14.327 2.854 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.186 -15.411 2.313 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.733 -14.099 3.970 1.00 0.00 N ATOM 0 H ASN A 13 107.312 -14.726 -0.569 1.00 0.00 H new ATOM 0 HA ASN A 13 106.102 -14.824 1.361 1.00 0.00 H new ATOM 0 HB2 ASN A 13 107.875 -12.421 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 13 106.599 -12.773 3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.307 -14.831 4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.657 -13.189 4.424 1.00 0.00 H new ATOM 208 N TYR A 14 105.059 -11.818 1.564 1.00 0.00 N ATOM 209 CA TYR A 14 103.852 -10.954 1.443 1.00 0.00 C ATOM 210 C TYR A 14 102.698 -11.554 2.244 1.00 0.00 C ATOM 211 O TYR A 14 102.089 -10.891 3.059 1.00 0.00 O ATOM 212 CB TYR A 14 103.455 -10.831 -0.033 1.00 0.00 C ATOM 213 CG TYR A 14 102.987 -9.424 -0.326 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.707 -8.326 0.166 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.835 -9.217 -1.095 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.272 -7.025 -0.111 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.401 -7.915 -1.370 1.00 0.00 C ATOM 218 CZ TYR A 14 102.119 -6.819 -0.878 1.00 0.00 C ATOM 219 OH TYR A 14 101.692 -5.536 -1.152 1.00 0.00 O ATOM 0 H TYR A 14 105.803 -11.443 2.153 1.00 0.00 H new ATOM 0 HA TYR A 14 104.078 -9.964 1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.305 -11.080 -0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.663 -11.543 -0.266 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.596 -8.484 0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.281 -10.062 -1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 14 103.826 -6.179 0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.512 -7.756 -1.962 1.00 0.00 H new ATOM 0 HH TYR A 14 100.715 -5.496 -1.091 1.00 0.00 H new ATOM 229 N ASP A 15 102.387 -12.800 2.027 1.00 0.00 N ATOM 230 CA ASP A 15 101.270 -13.416 2.791 1.00 0.00 C ATOM 231 C ASP A 15 101.619 -13.407 4.276 1.00 0.00 C ATOM 232 O ASP A 15 100.805 -13.077 5.115 1.00 0.00 O ATOM 233 CB ASP A 15 101.047 -14.854 2.319 1.00 0.00 C ATOM 234 CG ASP A 15 100.370 -14.843 0.948 1.00 0.00 C ATOM 235 OD1 ASP A 15 100.693 -13.973 0.155 1.00 0.00 O ATOM 236 OD2 ASP A 15 99.539 -15.705 0.712 1.00 0.00 O ATOM 0 H ASP A 15 102.854 -13.414 1.359 1.00 0.00 H new ATOM 0 HA ASP A 15 100.356 -12.846 2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 15 102.000 -15.381 2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.428 -15.392 3.037 1.00 0.00 H new ATOM 241 N LYS A 16 102.830 -13.751 4.608 1.00 0.00 N ATOM 242 CA LYS A 16 103.232 -13.743 6.038 1.00 0.00 C ATOM 243 C LYS A 16 103.250 -12.297 6.527 1.00 0.00 C ATOM 244 O LYS A 16 102.973 -12.012 7.675 1.00 0.00 O ATOM 245 CB LYS A 16 104.626 -14.356 6.186 1.00 0.00 C ATOM 246 CG LYS A 16 104.763 -15.547 5.236 1.00 0.00 C ATOM 247 CD LYS A 16 103.607 -16.522 5.470 1.00 0.00 C ATOM 248 CE LYS A 16 103.888 -17.834 4.734 1.00 0.00 C ATOM 249 NZ LYS A 16 104.322 -17.538 3.340 1.00 0.00 N ATOM 0 H LYS A 16 103.557 -14.037 3.952 1.00 0.00 H new ATOM 0 HA LYS A 16 102.527 -14.328 6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.389 -13.610 5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 16 104.786 -14.678 7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 16 104.759 -15.203 4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 16 105.716 -16.050 5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 16 103.486 -16.710 6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 16 102.673 -16.087 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 16 104.662 -18.397 5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 16 102.993 -18.456 4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 104.157 -18.372 2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 103.778 -16.733 2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 105.335 -17.303 3.334 1.00 0.00 H new ATOM 263 N PHE A 17 103.562 -11.378 5.654 1.00 0.00 N ATOM 264 CA PHE A 17 103.587 -9.948 6.049 1.00 0.00 C ATOM 265 C PHE A 17 102.154 -9.460 6.212 1.00 0.00 C ATOM 266 O PHE A 17 101.756 -8.986 7.258 1.00 0.00 O ATOM 267 CB PHE A 17 104.291 -9.168 4.946 1.00 0.00 C ATOM 268 CG PHE A 17 104.169 -7.684 5.181 1.00 0.00 C ATOM 269 CD1 PHE A 17 104.992 -7.069 6.121 1.00 0.00 C ATOM 270 CD2 PHE A 17 103.256 -6.924 4.443 1.00 0.00 C ATOM 271 CE1 PHE A 17 104.906 -5.689 6.333 1.00 0.00 C ATOM 272 CE2 PHE A 17 103.164 -5.543 4.655 1.00 0.00 C ATOM 273 CZ PHE A 17 103.991 -4.925 5.601 1.00 0.00 C ATOM 0 H PHE A 17 103.801 -11.561 4.680 1.00 0.00 H new ATOM 0 HA PHE A 17 104.116 -9.808 6.992 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.343 -9.450 4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.858 -9.425 3.979 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.698 -7.658 6.687 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.623 -7.402 3.710 1.00 0.00 H new ATOM 0 HE1 PHE A 17 105.546 -5.214 7.062 1.00 0.00 H new ATOM 0 HE2 PHE A 17 102.456 -4.955 4.090 1.00 0.00 H new ATOM 0 HZ PHE A 17 103.922 -3.860 5.765 1.00 0.00 H new ATOM 283 N MET A 18 101.374 -9.588 5.183 1.00 0.00 N ATOM 284 CA MET A 18 99.953 -9.149 5.262 1.00 0.00 C ATOM 285 C MET A 18 99.242 -9.943 6.362 1.00 0.00 C ATOM 286 O MET A 18 98.308 -9.469 6.977 1.00 0.00 O ATOM 287 CB MET A 18 99.258 -9.414 3.924 1.00 0.00 C ATOM 288 CG MET A 18 99.543 -8.264 2.956 1.00 0.00 C ATOM 289 SD MET A 18 98.613 -6.798 3.470 1.00 0.00 S ATOM 290 CE MET A 18 100.033 -5.714 3.752 1.00 0.00 C ATOM 0 H MET A 18 101.657 -9.979 4.285 1.00 0.00 H new ATOM 0 HA MET A 18 99.914 -8.083 5.488 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.611 -10.354 3.500 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.183 -9.516 4.076 1.00 0.00 H new ATOM 0 HG2 MET A 18 100.610 -8.044 2.940 1.00 0.00 H new ATOM 0 HG3 MET A 18 99.262 -8.549 1.942 1.00 0.00 H new ATOM 0 HE1 MET A 18 99.690 -4.685 3.856 1.00 0.00 H new ATOM 0 HE2 MET A 18 100.548 -6.018 4.663 1.00 0.00 H new ATOM 0 HE3 MET A 18 100.718 -5.785 2.907 1.00 0.00 H new ATOM 300 N GLU A 19 99.677 -11.148 6.614 1.00 0.00 N ATOM 301 CA GLU A 19 99.023 -11.969 7.670 1.00 0.00 C ATOM 302 C GLU A 19 99.481 -11.492 9.049 1.00 0.00 C ATOM 303 O GLU A 19 98.770 -11.620 10.026 1.00 0.00 O ATOM 304 CB GLU A 19 99.404 -13.439 7.484 1.00 0.00 C ATOM 305 CG GLU A 19 98.735 -14.284 8.571 1.00 0.00 C ATOM 306 CD GLU A 19 97.217 -14.131 8.476 1.00 0.00 C ATOM 307 OE1 GLU A 19 96.634 -13.609 9.413 1.00 0.00 O ATOM 308 OE2 GLU A 19 96.662 -14.538 7.470 1.00 0.00 O ATOM 0 H GLU A 19 100.456 -11.598 6.134 1.00 0.00 H new ATOM 0 HA GLU A 19 97.941 -11.862 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.093 -13.784 6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.487 -13.554 7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.013 -15.331 8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 19 99.082 -13.970 9.555 1.00 0.00 H new ATOM 315 N LYS A 20 100.659 -10.943 9.139 1.00 0.00 N ATOM 316 CA LYS A 20 101.146 -10.463 10.460 1.00 0.00 C ATOM 317 C LYS A 20 100.404 -9.182 10.838 1.00 0.00 C ATOM 318 O LYS A 20 100.069 -8.964 11.985 1.00 0.00 O ATOM 319 CB LYS A 20 102.653 -10.192 10.393 1.00 0.00 C ATOM 320 CG LYS A 20 103.299 -10.557 11.732 1.00 0.00 C ATOM 321 CD LYS A 20 103.618 -12.053 11.756 1.00 0.00 C ATOM 322 CE LYS A 20 104.199 -12.428 13.121 1.00 0.00 C ATOM 323 NZ LYS A 20 103.963 -13.876 13.380 1.00 0.00 N ATOM 0 H LYS A 20 101.302 -10.806 8.359 1.00 0.00 H new ATOM 0 HA LYS A 20 100.958 -11.227 11.215 1.00 0.00 H new ATOM 0 HB2 LYS A 20 103.103 -10.775 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.834 -9.142 10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 20 104.211 -9.978 11.877 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.627 -10.305 12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 20 102.715 -12.632 11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 20 104.329 -12.297 10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 20 105.267 -12.213 13.145 1.00 0.00 H new ATOM 0 HE3 LYS A 20 103.735 -11.827 13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 104.358 -14.132 14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 102.941 -14.068 13.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 104.426 -14.441 12.639 1.00 0.00 H new ATOM 337 N MET A 21 100.134 -8.335 9.884 1.00 0.00 N ATOM 338 CA MET A 21 99.402 -7.079 10.201 1.00 0.00 C ATOM 339 C MET A 21 97.961 -7.426 10.577 1.00 0.00 C ATOM 340 O MET A 21 97.206 -6.588 11.027 1.00 0.00 O ATOM 341 CB MET A 21 99.405 -6.157 8.979 1.00 0.00 C ATOM 342 CG MET A 21 100.743 -6.274 8.247 1.00 0.00 C ATOM 343 SD MET A 21 101.187 -4.666 7.545 1.00 0.00 S ATOM 344 CE MET A 21 99.609 -4.334 6.727 1.00 0.00 C ATOM 0 H MET A 21 100.387 -8.458 8.904 1.00 0.00 H new ATOM 0 HA MET A 21 99.889 -6.570 11.033 1.00 0.00 H new ATOM 0 HB2 MET A 21 98.588 -6.424 8.308 1.00 0.00 H new ATOM 0 HB3 MET A 21 99.239 -5.126 9.289 1.00 0.00 H new ATOM 0 HG2 MET A 21 101.519 -6.609 8.936 1.00 0.00 H new ATOM 0 HG3 MET A 21 100.674 -7.021 7.457 1.00 0.00 H new ATOM 0 HE1 MET A 21 99.771 -3.666 5.881 1.00 0.00 H new ATOM 0 HE2 MET A 21 99.179 -5.271 6.372 1.00 0.00 H new ATOM 0 HE3 MET A 21 98.924 -3.865 7.434 1.00 0.00 H new ATOM 354 N GLY A 22 97.576 -8.663 10.401 1.00 0.00 N ATOM 355 CA GLY A 22 96.186 -9.069 10.752 1.00 0.00 C ATOM 356 C GLY A 22 95.238 -8.707 9.608 1.00 0.00 C ATOM 357 O GLY A 22 94.070 -8.440 9.817 1.00 0.00 O ATOM 0 H GLY A 22 98.165 -9.408 10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 22 96.148 -10.141 10.943 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.872 -8.570 11.669 1.00 0.00 H new ATOM 361 N VAL A 23 95.727 -8.697 8.397 1.00 0.00 N ATOM 362 CA VAL A 23 94.849 -8.353 7.244 1.00 0.00 C ATOM 363 C VAL A 23 93.964 -9.553 6.902 1.00 0.00 C ATOM 364 O VAL A 23 94.442 -10.653 6.706 1.00 0.00 O ATOM 365 CB VAL A 23 95.715 -7.996 6.033 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.821 -7.473 4.907 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.732 -6.915 6.426 1.00 0.00 C ATOM 0 H VAL A 23 96.695 -8.912 8.158 1.00 0.00 H new ATOM 0 HA VAL A 23 94.221 -7.501 7.506 1.00 0.00 H new ATOM 0 HB VAL A 23 96.248 -8.884 5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.435 -7.218 4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 23 94.102 -8.242 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.288 -6.585 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.347 -6.663 5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 23 96.203 -6.025 6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.369 -7.289 7.228 1.00 0.00 H new ATOM 377 N ASN A 24 92.676 -9.353 6.831 1.00 0.00 N ATOM 378 CA ASN A 24 91.762 -10.484 6.502 1.00 0.00 C ATOM 379 C ASN A 24 92.369 -11.316 5.370 1.00 0.00 C ATOM 380 O ASN A 24 93.280 -10.885 4.691 1.00 0.00 O ATOM 381 CB ASN A 24 90.405 -9.933 6.058 1.00 0.00 C ATOM 382 CG ASN A 24 90.066 -8.688 6.879 1.00 0.00 C ATOM 383 OD1 ASN A 24 90.727 -8.446 7.979 1.00 0.00 O flip ATOM 384 ND2 ASN A 24 89.193 -7.926 6.515 1.00 0.00 N flip ATOM 0 H ASN A 24 92.217 -8.455 6.987 1.00 0.00 H new ATOM 0 HA ASN A 24 91.628 -11.111 7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.431 -9.686 4.997 1.00 0.00 H new ATOM 0 HB3 ASN A 24 89.632 -10.690 6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 24 88.677 -8.115 5.656 1.00 0.00 H new ATOM 0 HD22 ASN A 24 88.976 -7.097 7.068 1.00 0.00 H new ATOM 391 N ILE A 25 91.875 -12.507 5.163 1.00 0.00 N ATOM 392 CA ILE A 25 92.430 -13.361 4.076 1.00 0.00 C ATOM 393 C ILE A 25 91.840 -12.921 2.744 1.00 0.00 C ATOM 394 O ILE A 25 92.162 -13.437 1.691 1.00 0.00 O ATOM 395 CB ILE A 25 92.077 -14.826 4.354 1.00 0.00 C ATOM 396 CG1 ILE A 25 93.154 -15.449 5.251 1.00 0.00 C ATOM 397 CG2 ILE A 25 91.988 -15.602 3.038 1.00 0.00 C ATOM 398 CD1 ILE A 25 94.359 -15.872 4.405 1.00 0.00 C ATOM 0 H ILE A 25 91.113 -12.924 5.698 1.00 0.00 H new ATOM 0 HA ILE A 25 93.514 -13.259 4.037 1.00 0.00 H new ATOM 0 HB ILE A 25 91.112 -14.873 4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 25 93.466 -14.732 6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 25 92.747 -16.313 5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 25 91.737 -16.642 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 25 91.216 -15.161 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 25 92.948 -15.556 2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 25 95.119 -16.313 5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 25 94.043 -16.605 3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 25 94.773 -14.999 3.900 1.00 0.00 H new ATOM 410 N VAL A 26 90.990 -11.958 2.796 1.00 0.00 N ATOM 411 CA VAL A 26 90.356 -11.439 1.553 1.00 0.00 C ATOM 412 C VAL A 26 91.314 -10.466 0.872 1.00 0.00 C ATOM 413 O VAL A 26 91.729 -10.670 -0.252 1.00 0.00 O ATOM 414 CB VAL A 26 89.053 -10.718 1.902 1.00 0.00 C ATOM 415 CG1 VAL A 26 88.254 -10.458 0.624 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.226 -11.592 2.848 1.00 0.00 C ATOM 0 H VAL A 26 90.695 -11.493 3.655 1.00 0.00 H new ATOM 0 HA VAL A 26 90.136 -12.268 0.881 1.00 0.00 H new ATOM 0 HB VAL A 26 89.282 -9.769 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 26 87.326 -9.944 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 26 88.842 -9.837 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 26 88.025 -11.407 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.297 -11.080 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.998 -12.540 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.793 -11.779 3.760 1.00 0.00 H new ATOM 426 N LYS A 27 91.677 -9.417 1.548 1.00 0.00 N ATOM 427 CA LYS A 27 92.620 -8.436 0.945 1.00 0.00 C ATOM 428 C LYS A 27 93.961 -9.130 0.706 1.00 0.00 C ATOM 429 O LYS A 27 94.700 -8.787 -0.194 1.00 0.00 O ATOM 430 CB LYS A 27 92.814 -7.255 1.902 1.00 0.00 C ATOM 431 CG LYS A 27 91.769 -6.177 1.604 1.00 0.00 C ATOM 432 CD LYS A 27 91.484 -5.373 2.875 1.00 0.00 C ATOM 433 CE LYS A 27 90.377 -6.060 3.678 1.00 0.00 C ATOM 434 NZ LYS A 27 89.074 -5.886 2.977 1.00 0.00 N ATOM 0 H LYS A 27 91.363 -9.194 2.492 1.00 0.00 H new ATOM 0 HA LYS A 27 92.220 -8.066 0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 27 92.720 -7.591 2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 27 93.817 -6.844 1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 27 92.129 -5.515 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.851 -6.637 1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 27 92.389 -5.293 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 27 91.183 -4.358 2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 27 90.601 -7.120 3.793 1.00 0.00 H new ATOM 0 HE3 LYS A 27 90.323 -5.635 4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 88.301 -5.903 3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 89.069 -4.975 2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 88.942 -6.658 2.293 1.00 0.00 H new ATOM 448 N ARG A 28 94.275 -10.113 1.506 1.00 0.00 N ATOM 449 CA ARG A 28 95.561 -10.841 1.327 1.00 0.00 C ATOM 450 C ARG A 28 95.489 -11.686 0.055 1.00 0.00 C ATOM 451 O ARG A 28 96.416 -11.725 -0.730 1.00 0.00 O ATOM 452 CB ARG A 28 95.803 -11.753 2.531 1.00 0.00 C ATOM 453 CG ARG A 28 97.184 -12.404 2.413 1.00 0.00 C ATOM 454 CD ARG A 28 97.209 -13.699 3.230 1.00 0.00 C ATOM 455 NE ARG A 28 96.287 -13.570 4.393 1.00 0.00 N ATOM 456 CZ ARG A 28 96.545 -12.706 5.337 1.00 0.00 C ATOM 457 NH1 ARG A 28 95.737 -12.593 6.355 1.00 0.00 N ATOM 458 NH2 ARG A 28 97.610 -11.957 5.261 1.00 0.00 N ATOM 0 H ARG A 28 93.694 -10.443 2.277 1.00 0.00 H new ATOM 0 HA ARG A 28 96.378 -10.125 1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 28 95.739 -11.178 3.455 1.00 0.00 H new ATOM 0 HB3 ARG A 28 95.031 -12.521 2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 28 97.410 -12.616 1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 28 97.952 -11.720 2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 28 96.909 -14.541 2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 28 98.222 -13.904 3.576 1.00 0.00 H new ATOM 0 HE ARG A 28 95.455 -14.156 4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 28 94.904 -13.179 6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 28 95.938 -11.918 7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 28 98.241 -12.047 4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 28 97.812 -11.282 5.998 1.00 0.00 H new ATOM 472 N LYS A 29 94.393 -12.364 -0.158 1.00 0.00 N ATOM 473 CA LYS A 29 94.268 -13.206 -1.380 1.00 0.00 C ATOM 474 C LYS A 29 94.256 -12.307 -2.618 1.00 0.00 C ATOM 475 O LYS A 29 94.739 -12.676 -3.670 1.00 0.00 O ATOM 476 CB LYS A 29 92.966 -14.007 -1.317 1.00 0.00 C ATOM 477 CG LYS A 29 92.983 -15.095 -2.393 1.00 0.00 C ATOM 478 CD LYS A 29 91.670 -15.880 -2.347 1.00 0.00 C ATOM 479 CE LYS A 29 91.703 -16.995 -3.392 1.00 0.00 C ATOM 480 NZ LYS A 29 91.861 -16.399 -4.749 1.00 0.00 N ATOM 0 H LYS A 29 93.582 -12.371 0.460 1.00 0.00 H new ATOM 0 HA LYS A 29 95.113 -13.892 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 29 92.851 -14.458 -0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 29 92.112 -13.346 -1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 29 93.116 -14.646 -3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 29 93.826 -15.767 -2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 29 91.522 -16.303 -1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 29 90.829 -15.213 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.527 -17.678 -3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 29 90.784 -17.580 -3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 91.583 -17.096 -5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 91.256 -15.557 -4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 92.854 -16.128 -4.895 1.00 0.00 H new ATOM 494 N LEU A 30 93.707 -11.130 -2.502 1.00 0.00 N ATOM 495 CA LEU A 30 93.661 -10.211 -3.673 1.00 0.00 C ATOM 496 C LEU A 30 94.946 -9.401 -3.739 1.00 0.00 C ATOM 497 O LEU A 30 95.254 -8.763 -4.727 1.00 0.00 O ATOM 498 CB LEU A 30 92.458 -9.273 -3.554 1.00 0.00 C ATOM 499 CG LEU A 30 91.165 -10.081 -3.666 1.00 0.00 C ATOM 500 CD1 LEU A 30 90.031 -9.328 -2.969 1.00 0.00 C ATOM 501 CD2 LEU A 30 90.813 -10.278 -5.142 1.00 0.00 C ATOM 0 H LEU A 30 93.288 -10.765 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 30 93.561 -10.799 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 30 92.488 -8.746 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 30 92.495 -8.516 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 30 91.302 -11.053 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 30 89.109 -9.904 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 30 90.281 -9.186 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 30 89.894 -8.356 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 30 89.891 -10.854 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 30 90.676 -9.306 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 30 91.621 -10.814 -5.640 1.00 0.00 H new ATOM 513 N ALA A 31 95.686 -9.429 -2.689 1.00 0.00 N ATOM 514 CA ALA A 31 96.967 -8.670 -2.644 1.00 0.00 C ATOM 515 C ALA A 31 98.091 -9.521 -3.241 1.00 0.00 C ATOM 516 O ALA A 31 98.982 -9.017 -3.894 1.00 0.00 O ATOM 517 CB ALA A 31 97.307 -8.322 -1.193 1.00 0.00 C ATOM 0 H ALA A 31 95.465 -9.950 -1.840 1.00 0.00 H new ATOM 0 HA ALA A 31 96.861 -7.752 -3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 31 98.244 -7.767 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.510 -7.712 -0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 31 97.409 -9.239 -0.613 1.00 0.00 H new ATOM 523 N ALA A 32 98.057 -10.806 -3.019 1.00 0.00 N ATOM 524 CA ALA A 32 99.124 -11.686 -3.572 1.00 0.00 C ATOM 525 C ALA A 32 99.402 -11.303 -5.027 1.00 0.00 C ATOM 526 O ALA A 32 100.403 -11.683 -5.600 1.00 0.00 O ATOM 527 CB ALA A 32 98.668 -13.145 -3.508 1.00 0.00 C ATOM 0 H ALA A 32 97.336 -11.284 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 32 100.034 -11.563 -2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 32 99.449 -13.788 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 32 98.472 -13.420 -2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 32 97.757 -13.268 -4.094 1.00 0.00 H new ATOM 533 N HIS A 33 98.522 -10.551 -5.629 1.00 0.00 N ATOM 534 CA HIS A 33 98.736 -10.143 -7.046 1.00 0.00 C ATOM 535 C HIS A 33 99.712 -8.966 -7.099 1.00 0.00 C ATOM 536 O HIS A 33 99.486 -7.990 -7.786 1.00 0.00 O ATOM 537 CB HIS A 33 97.399 -9.724 -7.664 1.00 0.00 C ATOM 538 CG HIS A 33 96.523 -10.935 -7.828 1.00 0.00 C ATOM 539 ND1 HIS A 33 96.211 -11.773 -6.767 1.00 0.00 N ATOM 540 CD2 HIS A 33 95.884 -11.463 -8.924 1.00 0.00 C ATOM 541 CE1 HIS A 33 95.418 -12.751 -7.242 1.00 0.00 C ATOM 542 NE2 HIS A 33 95.190 -12.607 -8.548 1.00 0.00 N ATOM 0 H HIS A 33 97.665 -10.202 -5.201 1.00 0.00 H new ATOM 0 HA HIS A 33 99.149 -10.982 -7.606 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.906 -8.989 -7.028 1.00 0.00 H new ATOM 0 HB3 HIS A 33 97.566 -9.249 -8.631 1.00 0.00 H new ATOM 0 HD2 HIS A 33 95.916 -11.053 -9.923 1.00 0.00 H new ATOM 0 HE1 HIS A 33 95.016 -13.553 -6.640 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.625 -13.210 -9.146 1.00 0.00 H new ATOM 550 N ASP A 34 100.798 -9.051 -6.378 1.00 0.00 N ATOM 551 CA ASP A 34 101.787 -7.936 -6.385 1.00 0.00 C ATOM 552 C ASP A 34 102.021 -7.468 -7.825 1.00 0.00 C ATOM 553 O ASP A 34 102.894 -7.957 -8.512 1.00 0.00 O ATOM 554 CB ASP A 34 103.107 -8.422 -5.784 1.00 0.00 C ATOM 555 CG ASP A 34 102.822 -9.462 -4.698 1.00 0.00 C ATOM 556 OD1 ASP A 34 102.398 -10.552 -5.046 1.00 0.00 O ATOM 557 OD2 ASP A 34 103.031 -9.151 -3.538 1.00 0.00 O ATOM 0 H ASP A 34 101.042 -9.844 -5.785 1.00 0.00 H new ATOM 0 HA ASP A 34 101.402 -7.106 -5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 34 103.735 -8.856 -6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 34 103.658 -7.581 -5.362 1.00 0.00 H new ATOM 562 N ASN A 35 101.247 -6.522 -8.281 1.00 0.00 N ATOM 563 CA ASN A 35 101.420 -6.015 -9.670 1.00 0.00 C ATOM 564 C ASN A 35 101.055 -4.528 -9.711 1.00 0.00 C ATOM 565 O ASN A 35 100.375 -4.072 -10.608 1.00 0.00 O ATOM 566 CB ASN A 35 100.502 -6.792 -10.616 1.00 0.00 C ATOM 567 CG ASN A 35 100.793 -6.381 -12.061 1.00 0.00 C ATOM 568 OD1 ASN A 35 101.600 -5.507 -12.306 1.00 0.00 O ATOM 569 ND2 ASN A 35 100.164 -6.979 -13.035 1.00 0.00 N ATOM 0 H ASN A 35 100.499 -6.077 -7.749 1.00 0.00 H new ATOM 0 HA ASN A 35 102.456 -6.148 -9.983 1.00 0.00 H new ATOM 0 HB2 ASN A 35 100.658 -7.864 -10.493 1.00 0.00 H new ATOM 0 HB3 ASN A 35 99.458 -6.592 -10.373 1.00 0.00 H new ATOM 0 HD21 ASN A 35 100.350 -6.713 -14.002 1.00 0.00 H new ATOM 0 HD22 ASN A 35 99.486 -7.713 -12.830 1.00 0.00 H new ATOM 576 N LEU A 36 101.484 -3.772 -8.734 1.00 0.00 N ATOM 577 CA LEU A 36 101.138 -2.324 -8.709 1.00 0.00 C ATOM 578 C LEU A 36 102.282 -1.481 -9.282 1.00 0.00 C ATOM 579 O LEU A 36 103.345 -1.978 -9.609 1.00 0.00 O ATOM 580 CB LEU A 36 100.864 -1.889 -7.264 1.00 0.00 C ATOM 581 CG LEU A 36 102.146 -2.001 -6.423 1.00 0.00 C ATOM 582 CD1 LEU A 36 102.263 -0.786 -5.500 1.00 0.00 C ATOM 583 CD2 LEU A 36 102.094 -3.274 -5.575 1.00 0.00 C ATOM 0 H LEU A 36 102.058 -4.096 -7.955 1.00 0.00 H new ATOM 0 HA LEU A 36 100.249 -2.170 -9.321 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.499 -0.862 -7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 36 100.081 -2.512 -6.831 1.00 0.00 H new ATOM 0 HG LEU A 36 103.009 -2.039 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 36 103.172 -0.868 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 36 102.302 0.124 -6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 36 101.398 -0.748 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 36 103.004 -3.352 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 36 101.229 -3.235 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 36 102.012 -4.143 -6.228 1.00 0.00 H new ATOM 595 N LYS A 37 102.061 -0.199 -9.392 1.00 0.00 N ATOM 596 CA LYS A 37 103.110 0.711 -9.926 1.00 0.00 C ATOM 597 C LYS A 37 103.441 1.759 -8.864 1.00 0.00 C ATOM 598 O LYS A 37 102.618 2.096 -8.035 1.00 0.00 O ATOM 599 CB LYS A 37 102.585 1.410 -11.183 1.00 0.00 C ATOM 600 CG LYS A 37 102.835 0.524 -12.405 1.00 0.00 C ATOM 601 CD LYS A 37 101.813 0.855 -13.494 1.00 0.00 C ATOM 602 CE LYS A 37 102.363 0.431 -14.857 1.00 0.00 C ATOM 603 NZ LYS A 37 101.233 0.213 -15.803 1.00 0.00 N ATOM 0 H LYS A 37 101.188 0.260 -9.131 1.00 0.00 H new ATOM 0 HA LYS A 37 104.004 0.140 -10.176 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.519 1.613 -11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 37 103.082 2.372 -11.311 1.00 0.00 H new ATOM 0 HG2 LYS A 37 103.846 0.681 -12.781 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.758 -0.527 -12.127 1.00 0.00 H new ATOM 0 HD2 LYS A 37 100.873 0.341 -13.294 1.00 0.00 H new ATOM 0 HD3 LYS A 37 101.598 1.924 -13.493 1.00 0.00 H new ATOM 0 HE2 LYS A 37 103.033 1.198 -15.245 1.00 0.00 H new ATOM 0 HE3 LYS A 37 102.949 -0.483 -14.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 101.607 -0.075 -16.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 100.610 -0.533 -15.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 100.692 1.095 -15.907 1.00 0.00 H new ATOM 617 N LEU A 38 104.637 2.280 -8.874 1.00 0.00 N ATOM 618 CA LEU A 38 105.007 3.302 -7.856 1.00 0.00 C ATOM 619 C LEU A 38 105.843 4.403 -8.510 1.00 0.00 C ATOM 620 O LEU A 38 106.820 4.139 -9.181 1.00 0.00 O ATOM 621 CB LEU A 38 105.822 2.640 -6.741 1.00 0.00 C ATOM 622 CG LEU A 38 105.084 1.395 -6.238 1.00 0.00 C ATOM 623 CD1 LEU A 38 105.474 0.180 -7.089 1.00 0.00 C ATOM 624 CD2 LEU A 38 105.458 1.138 -4.773 1.00 0.00 C ATOM 0 H LEU A 38 105.372 2.043 -9.541 1.00 0.00 H new ATOM 0 HA LEU A 38 104.100 3.738 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 38 106.809 2.365 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 38 105.973 3.342 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 38 104.009 1.556 -6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 38 104.946 -0.702 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 38 105.204 0.363 -8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.549 0.015 -7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 38 104.934 0.253 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 38 106.534 0.980 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 38 105.173 1.999 -4.168 1.00 0.00 H new ATOM 636 N THR A 39 105.467 5.638 -8.313 1.00 0.00 N ATOM 637 CA THR A 39 106.242 6.755 -8.916 1.00 0.00 C ATOM 638 C THR A 39 107.197 7.323 -7.868 1.00 0.00 C ATOM 639 O THR A 39 106.791 8.034 -6.973 1.00 0.00 O ATOM 640 CB THR A 39 105.281 7.852 -9.384 1.00 0.00 C ATOM 641 OG1 THR A 39 104.038 7.266 -9.746 1.00 0.00 O ATOM 642 CG2 THR A 39 105.876 8.575 -10.593 1.00 0.00 C ATOM 0 H THR A 39 104.657 5.919 -7.761 1.00 0.00 H new ATOM 0 HA THR A 39 106.811 6.389 -9.771 1.00 0.00 H new ATOM 0 HB THR A 39 105.126 8.568 -8.577 1.00 0.00 H new ATOM 0 HG1 THR A 39 103.410 7.969 -10.014 1.00 0.00 H new ATOM 0 HG21 THR A 39 105.190 9.355 -10.924 1.00 0.00 H new ATOM 0 HG22 THR A 39 106.830 9.024 -10.315 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.033 7.862 -11.402 1.00 0.00 H new ATOM 650 N ILE A 40 108.462 7.012 -7.967 1.00 0.00 N ATOM 651 CA ILE A 40 109.433 7.536 -6.965 1.00 0.00 C ATOM 652 C ILE A 40 110.273 8.650 -7.585 1.00 0.00 C ATOM 653 O ILE A 40 110.900 8.474 -8.617 1.00 0.00 O ATOM 654 CB ILE A 40 110.363 6.413 -6.499 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.667 5.062 -6.668 1.00 0.00 C ATOM 656 CG2 ILE A 40 110.723 6.621 -5.026 1.00 0.00 C ATOM 657 CD1 ILE A 40 109.971 4.514 -8.061 1.00 0.00 C ATOM 0 H ILE A 40 108.863 6.421 -8.695 1.00 0.00 H new ATOM 0 HA ILE A 40 108.876 7.927 -6.114 1.00 0.00 H new ATOM 0 HB ILE A 40 111.272 6.428 -7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.012 4.363 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.591 5.174 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.385 5.820 -4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.226 7.580 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 40 109.814 6.611 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 40 109.478 3.550 -8.189 1.00 0.00 H new ATOM 0 HD12 ILE A 40 109.605 5.212 -8.814 1.00 0.00 H new ATOM 0 HD13 ILE A 40 111.048 4.388 -8.176 1.00 0.00 H new ATOM 669 N THR A 41 110.303 9.785 -6.942 1.00 0.00 N ATOM 670 CA THR A 41 111.108 10.923 -7.441 1.00 0.00 C ATOM 671 C THR A 41 111.905 11.485 -6.264 1.00 0.00 C ATOM 672 O THR A 41 111.495 11.374 -5.125 1.00 0.00 O ATOM 673 CB THR A 41 110.184 12.005 -7.996 1.00 0.00 C ATOM 674 OG1 THR A 41 109.053 11.395 -8.603 1.00 0.00 O ATOM 675 CG2 THR A 41 110.935 12.841 -9.034 1.00 0.00 C ATOM 0 H THR A 41 109.793 9.970 -6.078 1.00 0.00 H new ATOM 0 HA THR A 41 111.778 10.594 -8.235 1.00 0.00 H new ATOM 0 HB THR A 41 109.855 12.653 -7.183 1.00 0.00 H new ATOM 0 HG1 THR A 41 108.458 12.088 -8.958 1.00 0.00 H new ATOM 0 HG21 THR A 41 110.273 13.612 -9.428 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.801 13.310 -8.566 1.00 0.00 H new ATOM 0 HG23 THR A 41 111.267 12.197 -9.848 1.00 0.00 H new ATOM 683 N GLN A 42 113.038 12.074 -6.512 1.00 0.00 N ATOM 684 CA GLN A 42 113.843 12.620 -5.382 1.00 0.00 C ATOM 685 C GLN A 42 114.358 14.017 -5.732 1.00 0.00 C ATOM 686 O GLN A 42 114.724 14.292 -6.857 1.00 0.00 O ATOM 687 CB GLN A 42 115.030 11.695 -5.110 1.00 0.00 C ATOM 688 CG GLN A 42 115.977 12.359 -4.108 1.00 0.00 C ATOM 689 CD GLN A 42 117.004 11.335 -3.619 1.00 0.00 C ATOM 690 OE1 GLN A 42 117.671 11.554 -2.626 1.00 0.00 O ATOM 691 NE2 GLN A 42 117.161 10.220 -4.277 1.00 0.00 N ATOM 0 H GLN A 42 113.442 12.202 -7.440 1.00 0.00 H new ATOM 0 HA GLN A 42 113.214 12.683 -4.494 1.00 0.00 H new ATOM 0 HB2 GLN A 42 114.678 10.741 -4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 42 115.558 11.481 -6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.484 13.203 -4.575 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.412 12.754 -3.264 1.00 0.00 H new ATOM 0 HE21 GLN A 42 116.602 10.036 -5.110 1.00 0.00 H new ATOM 0 HE22 GLN A 42 117.843 9.532 -3.959 1.00 0.00 H new ATOM 700 N GLU A 43 114.398 14.899 -4.770 1.00 0.00 N ATOM 701 CA GLU A 43 114.900 16.274 -5.041 1.00 0.00 C ATOM 702 C GLU A 43 115.751 16.743 -3.858 1.00 0.00 C ATOM 703 O GLU A 43 115.309 17.506 -3.023 1.00 0.00 O ATOM 704 CB GLU A 43 113.717 17.227 -5.229 1.00 0.00 C ATOM 705 CG GLU A 43 113.199 17.124 -6.665 1.00 0.00 C ATOM 706 CD GLU A 43 114.088 17.957 -7.590 1.00 0.00 C ATOM 707 OE1 GLU A 43 114.596 17.400 -8.550 1.00 0.00 O ATOM 708 OE2 GLU A 43 114.245 19.136 -7.324 1.00 0.00 O ATOM 0 H GLU A 43 114.104 14.726 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 43 115.504 16.268 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 43 112.922 16.979 -4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 43 114.024 18.251 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 43 113.195 16.083 -6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 43 112.169 17.478 -6.718 1.00 0.00 H new ATOM 715 N GLY A 44 116.974 16.295 -3.789 1.00 0.00 N ATOM 716 CA GLY A 44 117.868 16.712 -2.671 1.00 0.00 C ATOM 717 C GLY A 44 117.208 16.415 -1.321 1.00 0.00 C ATOM 718 O GLY A 44 117.438 15.383 -0.721 1.00 0.00 O ATOM 0 H GLY A 44 117.395 15.655 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 44 118.819 16.185 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 44 118.087 17.777 -2.750 1.00 0.00 H new ATOM 722 N ASN A 45 116.406 17.321 -0.830 1.00 0.00 N ATOM 723 CA ASN A 45 115.746 17.113 0.494 1.00 0.00 C ATOM 724 C ASN A 45 114.226 17.071 0.324 1.00 0.00 C ATOM 725 O ASN A 45 113.484 17.420 1.219 1.00 0.00 O ATOM 726 CB ASN A 45 116.127 18.253 1.441 1.00 0.00 C ATOM 727 CG ASN A 45 116.441 19.511 0.628 1.00 0.00 C ATOM 728 OD1 ASN A 45 115.519 20.422 0.478 1.00 0.00 O flip ATOM 729 ND2 ASN A 45 117.536 19.664 0.124 1.00 0.00 N flip ATOM 0 H ASN A 45 116.178 18.202 -1.291 1.00 0.00 H new ATOM 0 HA ASN A 45 116.081 16.164 0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.311 18.451 2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 45 116.993 17.969 2.039 1.00 0.00 H new ATOM 0 HD21 ASN A 45 118.256 18.951 0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 45 117.735 20.505 -0.417 1.00 0.00 H new ATOM 736 N LYS A 46 113.756 16.638 -0.807 1.00 0.00 N ATOM 737 CA LYS A 46 112.299 16.563 -1.026 1.00 0.00 C ATOM 738 C LYS A 46 112.020 15.359 -1.911 1.00 0.00 C ATOM 739 O LYS A 46 112.355 15.327 -3.077 1.00 0.00 O ATOM 740 CB LYS A 46 111.805 17.837 -1.717 1.00 0.00 C ATOM 741 CG LYS A 46 111.571 18.939 -0.674 1.00 0.00 C ATOM 742 CD LYS A 46 112.728 19.940 -0.713 1.00 0.00 C ATOM 743 CE LYS A 46 112.503 20.937 -1.852 1.00 0.00 C ATOM 744 NZ LYS A 46 113.549 21.996 -1.799 1.00 0.00 N ATOM 0 H LYS A 46 114.328 16.331 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 46 111.780 16.465 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 46 112.537 18.170 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 46 110.881 17.633 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 46 110.629 19.449 -0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 46 111.490 18.501 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 46 112.798 20.468 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 46 113.672 19.415 -0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 46 112.540 20.423 -2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 46 111.513 21.385 -1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 113.396 22.674 -2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 113.494 22.493 -0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 114.488 21.561 -1.900 1.00 0.00 H new ATOM 758 N PHE A 47 111.414 14.371 -1.347 1.00 0.00 N ATOM 759 CA PHE A 47 111.097 13.140 -2.117 1.00 0.00 C ATOM 760 C PHE A 47 109.626 13.163 -2.515 1.00 0.00 C ATOM 761 O PHE A 47 108.849 13.944 -2.004 1.00 0.00 O ATOM 762 CB PHE A 47 111.373 11.909 -1.251 1.00 0.00 C ATOM 763 CG PHE A 47 112.861 11.752 -1.056 1.00 0.00 C ATOM 764 CD1 PHE A 47 113.570 12.692 -0.299 1.00 0.00 C ATOM 765 CD2 PHE A 47 113.533 10.667 -1.631 1.00 0.00 C ATOM 766 CE1 PHE A 47 114.951 12.548 -0.119 1.00 0.00 C ATOM 767 CE2 PHE A 47 114.914 10.522 -1.451 1.00 0.00 C ATOM 768 CZ PHE A 47 115.623 11.462 -0.694 1.00 0.00 C ATOM 0 H PHE A 47 111.117 14.356 -0.371 1.00 0.00 H new ATOM 0 HA PHE A 47 111.718 13.098 -3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 47 110.878 12.013 -0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 47 110.962 11.018 -1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.052 13.528 0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.986 9.941 -2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 47 115.498 13.275 0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 47 115.432 9.685 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.688 11.350 -0.553 1.00 0.00 H new ATOM 778 N THR A 48 109.232 12.309 -3.413 1.00 0.00 N ATOM 779 CA THR A 48 107.815 12.285 -3.828 1.00 0.00 C ATOM 780 C THR A 48 107.479 10.885 -4.338 1.00 0.00 C ATOM 781 O THR A 48 107.829 10.510 -5.440 1.00 0.00 O ATOM 782 CB THR A 48 107.606 13.296 -4.956 1.00 0.00 C ATOM 783 OG1 THR A 48 108.127 14.558 -4.565 1.00 0.00 O ATOM 784 CG2 THR A 48 106.112 13.426 -5.270 1.00 0.00 C ATOM 0 H THR A 48 109.834 11.628 -3.875 1.00 0.00 H new ATOM 0 HA THR A 48 107.172 12.540 -2.985 1.00 0.00 H new ATOM 0 HB THR A 48 108.127 12.951 -5.849 1.00 0.00 H new ATOM 0 HG1 THR A 48 107.994 15.205 -5.289 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.971 14.148 -6.074 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.719 12.457 -5.579 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.581 13.766 -4.380 1.00 0.00 H new ATOM 792 N VAL A 49 106.801 10.114 -3.544 1.00 0.00 N ATOM 793 CA VAL A 49 106.433 8.737 -3.970 1.00 0.00 C ATOM 794 C VAL A 49 104.950 8.704 -4.345 1.00 0.00 C ATOM 795 O VAL A 49 104.128 9.333 -3.709 1.00 0.00 O ATOM 796 CB VAL A 49 106.694 7.757 -2.825 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.251 6.354 -3.243 1.00 0.00 C ATOM 798 CG2 VAL A 49 108.190 7.743 -2.501 1.00 0.00 C ATOM 0 H VAL A 49 106.483 10.378 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 49 107.035 8.450 -4.832 1.00 0.00 H new ATOM 0 HB VAL A 49 106.132 8.068 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.437 5.656 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.187 6.363 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 49 106.813 6.042 -4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.379 7.045 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.750 7.431 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.507 8.743 -2.204 1.00 0.00 H new ATOM 808 N LYS A 50 104.598 7.978 -5.373 1.00 0.00 N ATOM 809 CA LYS A 50 103.165 7.916 -5.779 1.00 0.00 C ATOM 810 C LYS A 50 102.770 6.468 -6.080 1.00 0.00 C ATOM 811 O LYS A 50 103.035 5.951 -7.145 1.00 0.00 O ATOM 812 CB LYS A 50 102.951 8.775 -7.030 1.00 0.00 C ATOM 813 CG LYS A 50 101.572 9.437 -6.969 1.00 0.00 C ATOM 814 CD LYS A 50 101.114 9.794 -8.384 1.00 0.00 C ATOM 815 CE LYS A 50 100.106 10.944 -8.321 1.00 0.00 C ATOM 816 NZ LYS A 50 100.838 12.241 -8.246 1.00 0.00 N ATOM 0 H LYS A 50 105.238 7.428 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 50 102.546 8.294 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.728 9.536 -7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 50 103.030 8.158 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 50 100.854 8.763 -6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.615 10.334 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 50 101.971 10.081 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 50 100.661 8.925 -8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.463 10.927 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 50 99.459 10.828 -7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 100.154 13.024 -8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 101.434 12.255 -7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 101.437 12.351 -9.089 1.00 0.00 H new ATOM 830 N GLU A 51 102.123 5.816 -5.154 1.00 0.00 N ATOM 831 CA GLU A 51 101.699 4.409 -5.397 1.00 0.00 C ATOM 832 C GLU A 51 100.523 4.413 -6.373 1.00 0.00 C ATOM 833 O GLU A 51 99.817 5.395 -6.497 1.00 0.00 O ATOM 834 CB GLU A 51 101.269 3.767 -4.076 1.00 0.00 C ATOM 835 CG GLU A 51 102.441 3.781 -3.094 1.00 0.00 C ATOM 836 CD GLU A 51 101.908 3.741 -1.661 1.00 0.00 C ATOM 837 OE1 GLU A 51 101.345 2.724 -1.288 1.00 0.00 O ATOM 838 OE2 GLU A 51 102.071 4.726 -0.960 1.00 0.00 O ATOM 0 H GLU A 51 101.870 6.196 -4.242 1.00 0.00 H new ATOM 0 HA GLU A 51 102.527 3.838 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.422 4.309 -3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.938 2.743 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 51 103.091 2.925 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 51 103.044 4.677 -3.244 1.00 0.00 H new ATOM 845 N SER A 52 100.294 3.328 -7.060 1.00 0.00 N ATOM 846 CA SER A 52 99.160 3.289 -8.008 1.00 0.00 C ATOM 847 C SER A 52 98.744 1.843 -8.230 1.00 0.00 C ATOM 848 O SER A 52 99.407 1.074 -8.899 1.00 0.00 O ATOM 849 CB SER A 52 99.582 3.913 -9.339 1.00 0.00 C ATOM 850 OG SER A 52 100.436 5.020 -9.088 1.00 0.00 O ATOM 0 H SER A 52 100.845 2.472 -7.002 1.00 0.00 H new ATOM 0 HA SER A 52 98.321 3.852 -7.599 1.00 0.00 H new ATOM 0 HB2 SER A 52 100.096 3.174 -9.953 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.703 4.236 -9.897 1.00 0.00 H new ATOM 0 HG SER A 52 100.115 5.509 -8.302 1.00 0.00 H new ATOM 856 N SER A 53 97.632 1.487 -7.676 1.00 0.00 N ATOM 857 CA SER A 53 97.109 0.107 -7.830 1.00 0.00 C ATOM 858 C SER A 53 95.604 0.186 -8.078 1.00 0.00 C ATOM 859 O SER A 53 94.923 1.036 -7.539 1.00 0.00 O ATOM 860 CB SER A 53 97.375 -0.690 -6.553 1.00 0.00 C ATOM 861 OG SER A 53 97.230 0.165 -5.426 1.00 0.00 O ATOM 0 H SER A 53 97.049 2.104 -7.111 1.00 0.00 H new ATOM 0 HA SER A 53 97.603 -0.388 -8.666 1.00 0.00 H new ATOM 0 HB2 SER A 53 96.680 -1.526 -6.481 1.00 0.00 H new ATOM 0 HB3 SER A 53 98.380 -1.112 -6.577 1.00 0.00 H new ATOM 0 HG SER A 53 97.398 -0.344 -4.606 1.00 0.00 H new ATOM 867 N ALA A 54 95.073 -0.686 -8.884 1.00 0.00 N ATOM 868 CA ALA A 54 93.609 -0.646 -9.154 1.00 0.00 C ATOM 869 C ALA A 54 92.848 -0.745 -7.829 1.00 0.00 C ATOM 870 O ALA A 54 91.640 -0.881 -7.806 1.00 0.00 O ATOM 871 CB ALA A 54 93.223 -1.822 -10.054 1.00 0.00 C ATOM 0 H ALA A 54 95.586 -1.423 -9.367 1.00 0.00 H new ATOM 0 HA ALA A 54 93.355 0.289 -9.653 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.151 -1.793 -10.252 1.00 0.00 H new ATOM 0 HB2 ALA A 54 93.768 -1.754 -10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.475 -2.759 -9.557 1.00 0.00 H new ATOM 877 N PHE A 55 93.545 -0.692 -6.724 1.00 0.00 N ATOM 878 CA PHE A 55 92.863 -0.798 -5.406 1.00 0.00 C ATOM 879 C PHE A 55 92.778 0.572 -4.724 1.00 0.00 C ATOM 880 O PHE A 55 91.892 0.810 -3.930 1.00 0.00 O ATOM 881 CB PHE A 55 93.643 -1.760 -4.508 1.00 0.00 C ATOM 882 CG PHE A 55 92.976 -1.838 -3.155 1.00 0.00 C ATOM 883 CD1 PHE A 55 93.562 -1.211 -2.050 1.00 0.00 C ATOM 884 CD2 PHE A 55 91.772 -2.537 -3.008 1.00 0.00 C ATOM 885 CE1 PHE A 55 92.943 -1.282 -0.796 1.00 0.00 C ATOM 886 CE2 PHE A 55 91.154 -2.608 -1.754 1.00 0.00 C ATOM 887 CZ PHE A 55 91.740 -1.980 -0.648 1.00 0.00 C ATOM 0 H PHE A 55 94.558 -0.580 -6.680 1.00 0.00 H new ATOM 0 HA PHE A 55 91.852 -1.171 -5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 55 93.682 -2.749 -4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.672 -1.419 -4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 55 94.491 -0.673 -2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.320 -3.021 -3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 55 93.395 -0.798 0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 55 90.225 -3.147 -1.639 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.263 -2.035 0.319 1.00 0.00 H new ATOM 897 N ARG A 56 93.685 1.474 -5.017 1.00 0.00 N ATOM 898 CA ARG A 56 93.639 2.816 -4.370 1.00 0.00 C ATOM 899 C ARG A 56 95.016 3.469 -4.479 1.00 0.00 C ATOM 900 O ARG A 56 95.853 3.331 -3.610 1.00 0.00 O ATOM 901 CB ARG A 56 93.261 2.678 -2.887 1.00 0.00 C ATOM 902 CG ARG A 56 91.802 3.098 -2.683 1.00 0.00 C ATOM 903 CD ARG A 56 91.731 4.612 -2.465 1.00 0.00 C ATOM 904 NE ARG A 56 90.446 5.132 -3.010 1.00 0.00 N ATOM 905 CZ ARG A 56 89.358 5.068 -2.292 1.00 0.00 C ATOM 906 NH1 ARG A 56 88.232 5.521 -2.772 1.00 0.00 N ATOM 907 NH2 ARG A 56 89.396 4.552 -1.095 1.00 0.00 N ATOM 0 H ARG A 56 94.452 1.336 -5.675 1.00 0.00 H new ATOM 0 HA ARG A 56 92.891 3.430 -4.871 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.402 1.648 -2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 56 93.917 3.298 -2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 56 91.207 2.817 -3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 56 91.379 2.576 -1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 56 91.807 4.841 -1.402 1.00 0.00 H new ATOM 0 HD3 ARG A 56 92.572 5.101 -2.957 1.00 0.00 H new ATOM 0 HE ARG A 56 90.416 5.538 -3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 56 88.202 5.925 -3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 56 87.382 5.471 -2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 56 90.276 4.198 -0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 56 88.546 4.502 -0.534 1.00 0.00 H new ATOM 921 N ASN A 57 95.253 4.178 -5.542 1.00 0.00 N ATOM 922 CA ASN A 57 96.574 4.843 -5.718 1.00 0.00 C ATOM 923 C ASN A 57 96.785 5.862 -4.596 1.00 0.00 C ATOM 924 O ASN A 57 95.853 6.488 -4.128 1.00 0.00 O ATOM 925 CB ASN A 57 96.605 5.562 -7.068 1.00 0.00 C ATOM 926 CG ASN A 57 95.596 6.712 -7.058 1.00 0.00 C ATOM 927 OD1 ASN A 57 94.417 6.500 -6.852 1.00 0.00 O ATOM 928 ND2 ASN A 57 96.011 7.931 -7.272 1.00 0.00 N ATOM 0 H ASN A 57 94.588 4.328 -6.301 1.00 0.00 H new ATOM 0 HA ASN A 57 97.365 4.094 -5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.606 5.945 -7.265 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.367 4.863 -7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 57 95.346 8.704 -7.266 1.00 0.00 H new ATOM 0 HD22 ASN A 57 97.000 8.110 -7.445 1.00 0.00 H new ATOM 935 N ILE A 58 98.004 6.025 -4.149 1.00 0.00 N ATOM 936 CA ILE A 58 98.276 6.989 -3.048 1.00 0.00 C ATOM 937 C ILE A 58 99.489 7.849 -3.389 1.00 0.00 C ATOM 938 O ILE A 58 100.170 7.636 -4.374 1.00 0.00 O ATOM 939 CB ILE A 58 98.563 6.239 -1.755 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.747 4.949 -1.714 1.00 0.00 C ATOM 941 CG2 ILE A 58 98.185 7.116 -0.556 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.555 4.531 -0.259 1.00 0.00 C ATOM 0 H ILE A 58 98.823 5.529 -4.502 1.00 0.00 H new ATOM 0 HA ILE A 58 97.397 7.622 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 58 99.625 5.998 -1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.780 5.099 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 58 98.258 4.162 -2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.391 6.577 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.771 8.035 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 58 97.124 7.361 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 58 96.973 3.610 -0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.528 4.366 0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 58 97.026 5.318 0.279 1.00 0.00 H new ATOM 954 N GLU A 59 99.758 8.821 -2.568 1.00 0.00 N ATOM 955 CA GLU A 59 100.925 9.715 -2.814 1.00 0.00 C ATOM 956 C GLU A 59 101.477 10.221 -1.481 1.00 0.00 C ATOM 957 O GLU A 59 100.751 10.413 -0.526 1.00 0.00 O ATOM 958 CB GLU A 59 100.485 10.905 -3.672 1.00 0.00 C ATOM 959 CG GLU A 59 99.733 11.916 -2.803 1.00 0.00 C ATOM 960 CD GLU A 59 98.763 12.717 -3.674 1.00 0.00 C ATOM 961 OE1 GLU A 59 98.835 12.584 -4.884 1.00 0.00 O ATOM 962 OE2 GLU A 59 97.964 13.451 -3.114 1.00 0.00 O ATOM 0 H GLU A 59 99.217 9.038 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 59 101.703 9.158 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.355 11.378 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.845 10.563 -4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.187 11.398 -2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.439 12.588 -2.314 1.00 0.00 H new ATOM 969 N CYS A 60 102.761 10.438 -1.412 1.00 0.00 N ATOM 970 CA CYS A 60 103.370 10.930 -0.145 1.00 0.00 C ATOM 971 C CYS A 60 104.617 11.756 -0.472 1.00 0.00 C ATOM 972 O CYS A 60 105.624 11.233 -0.906 1.00 0.00 O ATOM 973 CB CYS A 60 103.758 9.732 0.730 1.00 0.00 C ATOM 974 SG CYS A 60 102.870 9.816 2.306 1.00 0.00 S ATOM 0 H CYS A 60 103.416 10.295 -2.181 1.00 0.00 H new ATOM 0 HA CYS A 60 102.654 11.552 0.392 1.00 0.00 H new ATOM 0 HB2 CYS A 60 103.519 8.801 0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 60 104.834 9.731 0.907 1.00 0.00 H new ATOM 980 N VAL A 61 104.559 13.044 -0.264 1.00 0.00 N ATOM 981 CA VAL A 61 105.735 13.905 -0.555 1.00 0.00 C ATOM 982 C VAL A 61 106.326 14.402 0.760 1.00 0.00 C ATOM 983 O VAL A 61 105.609 14.687 1.699 1.00 0.00 O ATOM 984 CB VAL A 61 105.289 15.104 -1.389 1.00 0.00 C ATOM 985 CG1 VAL A 61 106.389 15.485 -2.380 1.00 0.00 C ATOM 986 CG2 VAL A 61 104.013 14.749 -2.154 1.00 0.00 C ATOM 0 H VAL A 61 103.742 13.537 0.097 1.00 0.00 H new ATOM 0 HA VAL A 61 106.483 13.334 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 61 105.094 15.948 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 61 106.065 16.341 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 61 107.296 15.744 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 61 106.591 14.642 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 61 103.695 15.605 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 61 104.207 13.902 -2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 61 103.226 14.486 -1.447 1.00 0.00 H new ATOM 996 N PHE A 62 107.620 14.518 0.845 1.00 0.00 N ATOM 997 CA PHE A 62 108.212 15.008 2.126 1.00 0.00 C ATOM 998 C PHE A 62 109.741 14.989 2.062 1.00 0.00 C ATOM 999 O PHE A 62 110.334 14.439 1.157 1.00 0.00 O ATOM 1000 CB PHE A 62 107.740 14.111 3.277 1.00 0.00 C ATOM 1001 CG PHE A 62 106.662 14.817 4.067 1.00 0.00 C ATOM 1002 CD1 PHE A 62 105.399 14.231 4.207 1.00 0.00 C ATOM 1003 CD2 PHE A 62 106.928 16.057 4.661 1.00 0.00 C ATOM 1004 CE1 PHE A 62 104.401 14.885 4.940 1.00 0.00 C ATOM 1005 CE2 PHE A 62 105.930 16.710 5.393 1.00 0.00 C ATOM 1006 CZ PHE A 62 104.666 16.124 5.533 1.00 0.00 C ATOM 0 H PHE A 62 108.284 14.301 0.102 1.00 0.00 H new ATOM 0 HA PHE A 62 107.885 16.035 2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 62 107.357 13.169 2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 62 108.580 13.867 3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 62 105.194 13.274 3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 62 107.903 16.509 4.554 1.00 0.00 H new ATOM 0 HE1 PHE A 62 103.426 14.433 5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 62 106.135 17.667 5.850 1.00 0.00 H new ATOM 0 HZ PHE A 62 103.896 16.628 6.098 1.00 0.00 H new ATOM 1016 N GLU A 63 110.376 15.583 3.037 1.00 0.00 N ATOM 1017 CA GLU A 63 111.865 15.606 3.071 1.00 0.00 C ATOM 1018 C GLU A 63 112.358 14.441 3.930 1.00 0.00 C ATOM 1019 O GLU A 63 111.685 14.008 4.843 1.00 0.00 O ATOM 1020 CB GLU A 63 112.335 16.926 3.687 1.00 0.00 C ATOM 1021 CG GLU A 63 113.831 16.846 4.003 1.00 0.00 C ATOM 1022 CD GLU A 63 114.335 18.223 4.436 1.00 0.00 C ATOM 1023 OE1 GLU A 63 113.508 19.087 4.674 1.00 0.00 O ATOM 1024 OE2 GLU A 63 115.541 18.390 4.521 1.00 0.00 O ATOM 0 H GLU A 63 109.922 16.057 3.818 1.00 0.00 H new ATOM 0 HA GLU A 63 112.262 15.515 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 63 112.143 17.748 2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 63 111.772 17.134 4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 63 114.008 16.117 4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 63 114.381 16.505 3.126 1.00 0.00 H new ATOM 1031 N LEU A 64 113.525 13.927 3.655 1.00 0.00 N ATOM 1032 CA LEU A 64 114.037 12.793 4.471 1.00 0.00 C ATOM 1033 C LEU A 64 114.549 13.326 5.812 1.00 0.00 C ATOM 1034 O LEU A 64 115.269 14.305 5.870 1.00 0.00 O ATOM 1035 CB LEU A 64 115.166 12.080 3.715 1.00 0.00 C ATOM 1036 CG LEU A 64 116.491 12.823 3.916 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.138 12.397 5.242 1.00 0.00 C ATOM 1038 CD2 LEU A 64 117.434 12.492 2.755 1.00 0.00 C ATOM 0 H LEU A 64 114.142 14.241 2.906 1.00 0.00 H new ATOM 0 HA LEU A 64 113.234 12.079 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 64 115.259 11.054 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 64 114.927 12.030 2.653 1.00 0.00 H new ATOM 0 HG LEU A 64 116.302 13.896 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 64 118.079 12.931 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 64 116.466 12.634 6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.329 11.324 5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 64 118.379 13.018 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 64 117.617 11.418 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 64 116.978 12.804 1.816 1.00 0.00 H new ATOM 1050 N GLY A 65 114.178 12.696 6.894 1.00 0.00 N ATOM 1051 CA GLY A 65 114.638 13.172 8.230 1.00 0.00 C ATOM 1052 C GLY A 65 113.507 13.945 8.915 1.00 0.00 C ATOM 1053 O GLY A 65 113.735 14.733 9.811 1.00 0.00 O ATOM 0 H GLY A 65 113.576 11.872 6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 65 114.938 12.324 8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.514 13.811 8.118 1.00 0.00 H new ATOM 1057 N VAL A 66 112.288 13.723 8.502 1.00 0.00 N ATOM 1058 CA VAL A 66 111.143 14.440 9.129 1.00 0.00 C ATOM 1059 C VAL A 66 109.940 13.497 9.213 1.00 0.00 C ATOM 1060 O VAL A 66 109.305 13.197 8.222 1.00 0.00 O ATOM 1061 CB VAL A 66 110.778 15.660 8.283 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.711 16.484 9.005 1.00 0.00 C ATOM 1063 CG2 VAL A 66 112.025 16.521 8.066 1.00 0.00 C ATOM 0 H VAL A 66 112.037 13.075 7.756 1.00 0.00 H new ATOM 0 HA VAL A 66 111.422 14.766 10.131 1.00 0.00 H new ATOM 0 HB VAL A 66 110.390 15.329 7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.452 17.353 8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.822 15.872 9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 66 110.097 16.815 9.969 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.766 17.391 7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 66 112.412 16.850 9.030 1.00 0.00 H new ATOM 0 HG23 VAL A 66 112.786 15.936 7.550 1.00 0.00 H new ATOM 1073 N THR A 67 109.625 13.023 10.388 1.00 0.00 N ATOM 1074 CA THR A 67 108.470 12.096 10.532 1.00 0.00 C ATOM 1075 C THR A 67 107.269 12.633 9.771 1.00 0.00 C ATOM 1076 O THR A 67 107.028 13.821 9.699 1.00 0.00 O ATOM 1077 CB THR A 67 108.098 11.961 12.006 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.277 12.000 12.799 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.364 10.635 12.239 1.00 0.00 C ATOM 0 H THR A 67 110.119 13.239 11.254 1.00 0.00 H new ATOM 0 HA THR A 67 108.752 11.124 10.129 1.00 0.00 H new ATOM 0 HB THR A 67 107.443 12.786 12.288 1.00 0.00 H new ATOM 0 HG1 THR A 67 109.038 11.915 13.745 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.101 10.545 13.293 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.457 10.610 11.636 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.012 9.806 11.954 1.00 0.00 H new ATOM 1087 N PHE A 68 106.504 11.742 9.230 1.00 0.00 N ATOM 1088 CA PHE A 68 105.282 12.134 8.484 1.00 0.00 C ATOM 1089 C PHE A 68 104.378 10.914 8.408 1.00 0.00 C ATOM 1090 O PHE A 68 104.637 9.910 9.039 1.00 0.00 O ATOM 1091 CB PHE A 68 105.627 12.622 7.073 1.00 0.00 C ATOM 1092 CG PHE A 68 106.867 11.934 6.555 1.00 0.00 C ATOM 1093 CD1 PHE A 68 106.933 10.536 6.496 1.00 0.00 C ATOM 1094 CD2 PHE A 68 107.951 12.703 6.116 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.086 9.911 5.996 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.098 12.079 5.620 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.164 10.684 5.559 1.00 0.00 C ATOM 0 H PHE A 68 106.674 10.737 9.272 1.00 0.00 H new ATOM 0 HA PHE A 68 104.784 12.956 8.998 1.00 0.00 H new ATOM 0 HB2 PHE A 68 104.791 12.427 6.402 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.782 13.701 7.084 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.098 9.940 6.835 1.00 0.00 H new ATOM 0 HD2 PHE A 68 107.900 13.781 6.161 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.140 8.833 5.949 1.00 0.00 H new ATOM 0 HE2 PHE A 68 109.934 12.674 5.284 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.051 10.203 5.173 1.00 0.00 H new ATOM 1107 N ASN A 69 103.319 10.978 7.653 1.00 0.00 N ATOM 1108 CA ASN A 69 102.416 9.804 7.567 1.00 0.00 C ATOM 1109 C ASN A 69 102.266 9.361 6.113 1.00 0.00 C ATOM 1110 O ASN A 69 102.401 10.141 5.192 1.00 0.00 O ATOM 1111 CB ASN A 69 101.042 10.173 8.133 1.00 0.00 C ATOM 1112 CG ASN A 69 101.197 10.664 9.573 1.00 0.00 C ATOM 1113 OD1 ASN A 69 102.140 11.519 9.861 1.00 0.00 O flip ATOM 1114 ND2 ASN A 69 100.453 10.264 10.447 1.00 0.00 N flip ATOM 0 H ASN A 69 103.043 11.787 7.096 1.00 0.00 H new ATOM 0 HA ASN A 69 102.843 8.985 8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.581 10.949 7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 69 100.380 9.308 8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 69 99.716 9.596 10.223 1.00 0.00 H new ATOM 0 HD22 ASN A 69 100.566 10.597 11.405 1.00 0.00 H new ATOM 1121 N CYS A 70 101.979 8.106 5.908 1.00 0.00 N ATOM 1122 CA CYS A 70 101.807 7.586 4.527 1.00 0.00 C ATOM 1123 C CYS A 70 100.966 6.315 4.599 1.00 0.00 C ATOM 1124 O CYS A 70 101.241 5.425 5.379 1.00 0.00 O ATOM 1125 CB CYS A 70 103.175 7.271 3.918 1.00 0.00 C ATOM 1126 SG CYS A 70 104.062 8.817 3.597 1.00 0.00 S ATOM 0 H CYS A 70 101.856 7.413 6.647 1.00 0.00 H new ATOM 0 HA CYS A 70 101.312 8.330 3.902 1.00 0.00 H new ATOM 0 HB2 CYS A 70 103.751 6.643 4.597 1.00 0.00 H new ATOM 0 HB3 CYS A 70 103.052 6.710 2.991 1.00 0.00 H new ATOM 1132 N ASN A 71 99.932 6.224 3.813 1.00 0.00 N ATOM 1133 CA ASN A 71 99.074 5.010 3.870 1.00 0.00 C ATOM 1134 C ASN A 71 99.574 3.962 2.878 1.00 0.00 C ATOM 1135 O ASN A 71 100.100 4.280 1.830 1.00 0.00 O ATOM 1136 CB ASN A 71 97.631 5.388 3.532 1.00 0.00 C ATOM 1137 CG ASN A 71 97.087 6.336 4.601 1.00 0.00 C ATOM 1138 OD1 ASN A 71 97.743 7.287 4.977 1.00 0.00 O ATOM 1139 ND2 ASN A 71 95.905 6.118 5.110 1.00 0.00 N ATOM 0 H ASN A 71 99.645 6.932 3.138 1.00 0.00 H new ATOM 0 HA ASN A 71 99.118 4.593 4.876 1.00 0.00 H new ATOM 0 HB2 ASN A 71 97.589 5.865 2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 71 97.013 4.492 3.477 1.00 0.00 H new ATOM 0 HD21 ASN A 71 95.533 6.746 5.823 1.00 0.00 H new ATOM 0 HD22 ASN A 71 95.353 5.320 4.795 1.00 0.00 H new ATOM 1146 N LEU A 72 99.410 2.709 3.205 1.00 0.00 N ATOM 1147 CA LEU A 72 99.870 1.631 2.285 1.00 0.00 C ATOM 1148 C LEU A 72 98.677 1.100 1.487 1.00 0.00 C ATOM 1149 O LEU A 72 97.561 1.055 1.973 1.00 0.00 O ATOM 1150 CB LEU A 72 100.485 0.491 3.101 1.00 0.00 C ATOM 1151 CG LEU A 72 101.873 0.904 3.597 1.00 0.00 C ATOM 1152 CD1 LEU A 72 102.340 -0.076 4.676 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.866 0.886 2.430 1.00 0.00 C ATOM 0 H LEU A 72 98.977 2.386 4.070 1.00 0.00 H new ATOM 0 HA LEU A 72 100.617 2.032 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.843 0.249 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 72 100.559 -0.408 2.490 1.00 0.00 H new ATOM 0 HG LEU A 72 101.822 1.910 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 72 103.328 0.217 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 72 101.637 -0.062 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 72 102.388 -1.082 4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.853 1.181 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.917 -0.119 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 72 102.536 1.584 1.660 1.00 0.00 H new ATOM 1165 N ALA A 73 98.906 0.697 0.265 1.00 0.00 N ATOM 1166 CA ALA A 73 97.794 0.171 -0.576 1.00 0.00 C ATOM 1167 C ALA A 73 96.900 -0.746 0.260 1.00 0.00 C ATOM 1168 O ALA A 73 95.708 -0.835 0.041 1.00 0.00 O ATOM 1169 CB ALA A 73 98.375 -0.620 -1.751 1.00 0.00 C ATOM 0 H ALA A 73 99.820 0.710 -0.188 1.00 0.00 H new ATOM 0 HA ALA A 73 97.202 1.006 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 73 97.563 -1.005 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 73 99.008 0.033 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 73 98.969 -1.452 -1.372 1.00 0.00 H new ATOM 1175 N ASP A 74 97.463 -1.428 1.219 1.00 0.00 N ATOM 1176 CA ASP A 74 96.639 -2.336 2.066 1.00 0.00 C ATOM 1177 C ASP A 74 95.647 -1.506 2.881 1.00 0.00 C ATOM 1178 O ASP A 74 95.072 -1.977 3.842 1.00 0.00 O ATOM 1179 CB ASP A 74 97.553 -3.118 3.012 1.00 0.00 C ATOM 1180 CG ASP A 74 96.701 -3.932 3.988 1.00 0.00 C ATOM 1181 OD1 ASP A 74 95.938 -4.765 3.526 1.00 0.00 O ATOM 1182 OD2 ASP A 74 96.826 -3.709 5.181 1.00 0.00 O ATOM 0 H ASP A 74 98.455 -1.396 1.452 1.00 0.00 H new ATOM 0 HA ASP A 74 96.093 -3.034 1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 74 98.204 -3.780 2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 74 98.198 -2.432 3.561 1.00 0.00 H new ATOM 1187 N GLY A 75 95.443 -0.272 2.507 1.00 0.00 N ATOM 1188 CA GLY A 75 94.490 0.587 3.262 1.00 0.00 C ATOM 1189 C GLY A 75 95.025 0.811 4.677 1.00 0.00 C ATOM 1190 O GLY A 75 94.275 1.033 5.607 1.00 0.00 O ATOM 0 H GLY A 75 95.896 0.177 1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 75 94.362 1.543 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 75 93.509 0.114 3.302 1.00 0.00 H new ATOM 1194 N THR A 76 96.317 0.753 4.847 1.00 0.00 N ATOM 1195 CA THR A 76 96.903 0.959 6.194 1.00 0.00 C ATOM 1196 C THR A 76 97.395 2.399 6.322 1.00 0.00 C ATOM 1197 O THR A 76 97.589 3.091 5.345 1.00 0.00 O ATOM 1198 CB THR A 76 98.080 0.009 6.399 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.995 -1.061 5.469 1.00 0.00 O ATOM 1200 CG2 THR A 76 98.060 -0.544 7.827 1.00 0.00 C ATOM 0 H THR A 76 96.992 0.571 4.105 1.00 0.00 H new ATOM 0 HA THR A 76 96.141 0.761 6.947 1.00 0.00 H new ATOM 0 HB THR A 76 99.012 0.552 6.241 1.00 0.00 H new ATOM 0 HG1 THR A 76 97.457 -1.785 5.852 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.903 -1.221 7.967 1.00 0.00 H new ATOM 0 HG22 THR A 76 98.135 0.280 8.537 1.00 0.00 H new ATOM 0 HG23 THR A 76 97.128 -1.084 7.995 1.00 0.00 H new ATOM 1208 N GLU A 77 97.600 2.844 7.526 1.00 0.00 N ATOM 1209 CA GLU A 77 98.086 4.230 7.748 1.00 0.00 C ATOM 1210 C GLU A 77 99.247 4.196 8.744 1.00 0.00 C ATOM 1211 O GLU A 77 99.092 3.754 9.866 1.00 0.00 O ATOM 1212 CB GLU A 77 96.951 5.085 8.312 1.00 0.00 C ATOM 1213 CG GLU A 77 97.339 6.560 8.229 1.00 0.00 C ATOM 1214 CD GLU A 77 96.127 7.428 8.571 1.00 0.00 C ATOM 1215 OE1 GLU A 77 95.056 6.872 8.749 1.00 0.00 O ATOM 1216 OE2 GLU A 77 96.290 8.635 8.648 1.00 0.00 O ATOM 0 H GLU A 77 97.450 2.300 8.376 1.00 0.00 H new ATOM 0 HA GLU A 77 98.423 4.659 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 77 96.033 4.907 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 77 96.751 4.808 9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.157 6.771 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.698 6.797 7.227 1.00 0.00 H new ATOM 1223 N LEU A 78 100.411 4.645 8.351 1.00 0.00 N ATOM 1224 CA LEU A 78 101.567 4.612 9.298 1.00 0.00 C ATOM 1225 C LEU A 78 102.341 5.931 9.243 1.00 0.00 C ATOM 1226 O LEU A 78 102.196 6.713 8.325 1.00 0.00 O ATOM 1227 CB LEU A 78 102.508 3.466 8.921 1.00 0.00 C ATOM 1228 CG LEU A 78 101.700 2.297 8.354 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.442 2.526 6.862 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.484 0.996 8.545 1.00 0.00 C ATOM 0 H LEU A 78 100.611 5.029 7.427 1.00 0.00 H new ATOM 0 HA LEU A 78 101.184 4.463 10.308 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.236 3.808 8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.069 3.141 9.797 1.00 0.00 H new ATOM 0 HG LEU A 78 100.747 2.227 8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.866 1.692 6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 78 100.882 3.452 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.393 2.597 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.909 0.162 8.141 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.438 1.066 8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.664 0.832 9.608 1.00 0.00 H new ATOM 1242 N ARG A 79 103.166 6.178 10.228 1.00 0.00 N ATOM 1243 CA ARG A 79 103.958 7.441 10.242 1.00 0.00 C ATOM 1244 C ARG A 79 105.362 7.170 10.784 1.00 0.00 C ATOM 1245 O ARG A 79 105.544 6.417 11.719 1.00 0.00 O ATOM 1246 CB ARG A 79 103.260 8.470 11.132 1.00 0.00 C ATOM 1247 CG ARG A 79 103.209 7.948 12.570 1.00 0.00 C ATOM 1248 CD ARG A 79 102.369 8.894 13.429 1.00 0.00 C ATOM 1249 NE ARG A 79 102.083 8.248 14.742 1.00 0.00 N ATOM 1250 CZ ARG A 79 103.025 8.154 15.640 1.00 0.00 C ATOM 1251 NH1 ARG A 79 102.777 7.585 16.789 1.00 0.00 N ATOM 1252 NH2 ARG A 79 104.215 8.626 15.391 1.00 0.00 N ATOM 0 H ARG A 79 103.324 5.558 11.023 1.00 0.00 H new ATOM 0 HA ARG A 79 104.034 7.826 9.225 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.794 9.419 11.097 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.251 8.659 10.766 1.00 0.00 H new ATOM 0 HG2 ARG A 79 102.780 6.946 12.589 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.218 7.871 12.976 1.00 0.00 H new ATOM 0 HD2 ARG A 79 102.901 9.833 13.581 1.00 0.00 H new ATOM 0 HD3 ARG A 79 101.436 9.135 12.919 1.00 0.00 H new ATOM 0 HE ARG A 79 101.152 7.880 14.938 1.00 0.00 H new ATOM 0 HH11 ARG A 79 101.847 7.214 16.984 1.00 0.00 H new ATOM 0 HH12 ARG A 79 103.513 7.511 17.491 1.00 0.00 H new ATOM 0 HH21 ARG A 79 104.410 9.069 14.493 1.00 0.00 H new ATOM 0 HH22 ARG A 79 104.950 8.552 16.094 1.00 0.00 H new ATOM 1266 N GLY A 80 106.361 7.782 10.201 1.00 0.00 N ATOM 1267 CA GLY A 80 107.745 7.570 10.669 1.00 0.00 C ATOM 1268 C GLY A 80 108.674 8.307 9.715 1.00 0.00 C ATOM 1269 O GLY A 80 108.592 9.506 9.572 1.00 0.00 O ATOM 0 H GLY A 80 106.266 8.424 9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 80 107.866 7.943 11.686 1.00 0.00 H new ATOM 0 HA3 GLY A 80 107.983 6.507 10.690 1.00 0.00 H new ATOM 1273 N THR A 81 109.535 7.609 9.041 1.00 0.00 N ATOM 1274 CA THR A 81 110.448 8.302 8.084 1.00 0.00 C ATOM 1275 C THR A 81 111.495 7.334 7.546 1.00 0.00 C ATOM 1276 O THR A 81 111.819 6.335 8.160 1.00 0.00 O ATOM 1277 CB THR A 81 111.174 9.455 8.794 1.00 0.00 C ATOM 1278 OG1 THR A 81 110.778 9.507 10.158 1.00 0.00 O ATOM 1279 CG2 THR A 81 110.839 10.780 8.111 1.00 0.00 C ATOM 0 H THR A 81 109.651 6.598 9.105 1.00 0.00 H new ATOM 0 HA THR A 81 109.846 8.685 7.260 1.00 0.00 H new ATOM 0 HB THR A 81 112.249 9.285 8.738 1.00 0.00 H new ATOM 0 HG1 THR A 81 111.244 10.243 10.606 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.357 11.593 8.620 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.157 10.743 7.069 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.763 10.951 8.156 1.00 0.00 H new ATOM 1287 N TRP A 82 112.047 7.647 6.408 1.00 0.00 N ATOM 1288 CA TRP A 82 113.105 6.775 5.825 1.00 0.00 C ATOM 1289 C TRP A 82 114.467 7.419 6.073 1.00 0.00 C ATOM 1290 O TRP A 82 114.615 8.624 6.008 1.00 0.00 O ATOM 1291 CB TRP A 82 112.893 6.614 4.318 1.00 0.00 C ATOM 1292 CG TRP A 82 111.443 6.412 4.032 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.488 7.349 4.199 1.00 0.00 C ATOM 1294 CD2 TRP A 82 110.771 5.223 3.528 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.268 6.816 3.832 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.390 5.505 3.411 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.222 3.942 3.167 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.486 4.545 2.949 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.317 2.974 2.703 1.00 0.00 C ATOM 1300 CH2 TRP A 82 108.951 3.275 2.594 1.00 0.00 C ATOM 0 H TRP A 82 111.811 8.471 5.855 1.00 0.00 H new ATOM 0 HA TRP A 82 113.058 5.792 6.295 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.257 7.497 3.794 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.468 5.765 3.949 1.00 0.00 H new ATOM 0 HD1 TRP A 82 110.651 8.353 4.561 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.386 7.327 3.867 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.272 3.700 3.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.436 4.782 2.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.674 1.992 2.429 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.259 2.527 2.236 1.00 0.00 H new ATOM 1311 N SER A 83 115.464 6.631 6.359 1.00 0.00 N ATOM 1312 CA SER A 83 116.814 7.204 6.614 1.00 0.00 C ATOM 1313 C SER A 83 117.855 6.284 5.988 1.00 0.00 C ATOM 1314 O SER A 83 117.602 5.126 5.761 1.00 0.00 O ATOM 1315 CB SER A 83 117.051 7.311 8.124 1.00 0.00 C ATOM 1316 OG SER A 83 115.829 7.068 8.808 1.00 0.00 O ATOM 0 H SER A 83 115.403 5.615 6.427 1.00 0.00 H new ATOM 0 HA SER A 83 116.889 8.200 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 83 117.806 6.590 8.437 1.00 0.00 H new ATOM 0 HB3 SER A 83 117.431 8.301 8.375 1.00 0.00 H new ATOM 0 HG SER A 83 115.976 7.134 9.775 1.00 0.00 H new ATOM 1322 N LEU A 84 119.020 6.770 5.690 1.00 0.00 N ATOM 1323 CA LEU A 84 120.026 5.877 5.085 1.00 0.00 C ATOM 1324 C LEU A 84 120.894 5.295 6.207 1.00 0.00 C ATOM 1325 O LEU A 84 121.447 6.012 7.017 1.00 0.00 O ATOM 1326 CB LEU A 84 120.874 6.672 4.082 1.00 0.00 C ATOM 1327 CG LEU A 84 122.350 6.323 4.247 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.593 4.883 3.789 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.197 7.276 3.400 1.00 0.00 C ATOM 0 H LEU A 84 119.314 7.735 5.838 1.00 0.00 H new ATOM 0 HA LEU A 84 119.546 5.059 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.552 6.449 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 84 120.726 7.741 4.236 1.00 0.00 H new ATOM 0 HG LEU A 84 122.629 6.421 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.648 4.636 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 84 121.991 4.203 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.313 4.783 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.252 7.027 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 84 122.916 7.179 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.028 8.302 3.727 1.00 0.00 H new ATOM 1341 N GLU A 85 121.009 4.001 6.255 1.00 0.00 N ATOM 1342 CA GLU A 85 121.835 3.353 7.307 1.00 0.00 C ATOM 1343 C GLU A 85 122.882 2.479 6.625 1.00 0.00 C ATOM 1344 O GLU A 85 122.560 1.502 5.978 1.00 0.00 O ATOM 1345 CB GLU A 85 120.945 2.490 8.204 1.00 0.00 C ATOM 1346 CG GLU A 85 120.492 3.307 9.415 1.00 0.00 C ATOM 1347 CD GLU A 85 121.572 3.260 10.498 1.00 0.00 C ATOM 1348 OE1 GLU A 85 121.514 2.366 11.326 1.00 0.00 O ATOM 1349 OE2 GLU A 85 122.439 4.119 10.481 1.00 0.00 O ATOM 0 H GLU A 85 120.561 3.357 5.603 1.00 0.00 H new ATOM 0 HA GLU A 85 122.322 4.110 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.078 2.139 7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 85 121.491 1.606 8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 85 120.303 4.339 9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 85 119.555 2.910 9.804 1.00 0.00 H new ATOM 1356 N GLY A 86 124.130 2.827 6.744 1.00 0.00 N ATOM 1357 CA GLY A 86 125.181 2.016 6.077 1.00 0.00 C ATOM 1358 C GLY A 86 124.967 2.084 4.565 1.00 0.00 C ATOM 1359 O GLY A 86 125.252 3.083 3.935 1.00 0.00 O ATOM 0 H GLY A 86 124.466 3.633 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.170 2.393 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 86 125.134 0.982 6.419 1.00 0.00 H new ATOM 1363 N ASN A 87 124.464 1.032 3.977 1.00 0.00 N ATOM 1364 CA ASN A 87 124.230 1.043 2.503 1.00 0.00 C ATOM 1365 C ASN A 87 122.771 0.694 2.192 1.00 0.00 C ATOM 1366 O ASN A 87 122.484 0.061 1.196 1.00 0.00 O ATOM 1367 CB ASN A 87 125.151 0.020 1.835 1.00 0.00 C ATOM 1368 CG ASN A 87 124.928 0.043 0.323 1.00 0.00 C ATOM 1369 OD1 ASN A 87 124.529 -0.947 -0.259 1.00 0.00 O ATOM 1370 ND2 ASN A 87 125.167 1.138 -0.344 1.00 0.00 N ATOM 0 H ASN A 87 124.205 0.167 4.452 1.00 0.00 H new ATOM 0 HA ASN A 87 124.444 2.040 2.119 1.00 0.00 H new ATOM 0 HB2 ASN A 87 126.192 0.249 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 87 124.950 -0.977 2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 87 125.019 1.163 -1.353 1.00 0.00 H new ATOM 0 HD22 ASN A 87 125.502 1.969 0.143 1.00 0.00 H new ATOM 1377 N LYS A 88 121.842 1.089 3.024 1.00 0.00 N ATOM 1378 CA LYS A 88 120.422 0.752 2.739 1.00 0.00 C ATOM 1379 C LYS A 88 119.505 1.890 3.191 1.00 0.00 C ATOM 1380 O LYS A 88 119.800 2.607 4.127 1.00 0.00 O ATOM 1381 CB LYS A 88 120.046 -0.530 3.486 1.00 0.00 C ATOM 1382 CG LYS A 88 120.429 -0.399 4.964 1.00 0.00 C ATOM 1383 CD LYS A 88 121.818 -1.000 5.193 1.00 0.00 C ATOM 1384 CE LYS A 88 122.121 -1.033 6.694 1.00 0.00 C ATOM 1385 NZ LYS A 88 121.632 -2.316 7.271 1.00 0.00 N ATOM 0 H LYS A 88 122.005 1.624 3.877 1.00 0.00 H new ATOM 0 HA LYS A 88 120.301 0.606 1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 88 118.976 -0.716 3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.558 -1.384 3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 88 120.423 0.650 5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 88 119.694 -0.910 5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 88 121.862 -2.008 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 88 122.572 -0.409 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 88 123.193 -0.932 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 88 121.640 -0.191 7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 121.837 -2.339 8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 120.606 -2.394 7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 122.111 -3.112 6.803 1.00 0.00 H new ATOM 1399 N LEU A 89 118.384 2.051 2.538 1.00 0.00 N ATOM 1400 CA LEU A 89 117.436 3.130 2.933 1.00 0.00 C ATOM 1401 C LEU A 89 116.394 2.536 3.880 1.00 0.00 C ATOM 1402 O LEU A 89 115.551 1.759 3.480 1.00 0.00 O ATOM 1403 CB LEU A 89 116.747 3.689 1.685 1.00 0.00 C ATOM 1404 CG LEU A 89 117.526 4.901 1.168 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.252 5.085 -0.326 1.00 0.00 C ATOM 1406 CD2 LEU A 89 117.080 6.153 1.925 1.00 0.00 C ATOM 0 H LEU A 89 118.085 1.480 1.747 1.00 0.00 H new ATOM 0 HA LEU A 89 117.971 3.938 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.693 2.922 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.722 3.976 1.921 1.00 0.00 H new ATOM 0 HG LEU A 89 118.593 4.741 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.807 5.948 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.568 4.193 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.185 5.245 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 89 117.634 7.017 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 89 116.013 6.312 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 89 117.274 6.023 2.990 1.00 0.00 H new ATOM 1418 N ILE A 90 116.452 2.878 5.135 1.00 0.00 N ATOM 1419 CA ILE A 90 115.475 2.312 6.101 1.00 0.00 C ATOM 1420 C ILE A 90 114.139 3.041 6.006 1.00 0.00 C ATOM 1421 O ILE A 90 114.033 4.113 5.450 1.00 0.00 O ATOM 1422 CB ILE A 90 116.008 2.422 7.521 1.00 0.00 C ATOM 1423 CG1 ILE A 90 116.885 3.653 7.649 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.833 1.178 7.857 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.172 3.890 9.122 1.00 0.00 C ATOM 0 H ILE A 90 117.133 3.525 5.533 1.00 0.00 H new ATOM 0 HA ILE A 90 115.326 1.261 5.851 1.00 0.00 H new ATOM 0 HB ILE A 90 115.168 2.503 8.211 1.00 0.00 H new ATOM 0 HG12 ILE A 90 117.816 3.514 7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.386 4.520 7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.214 1.258 8.875 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.205 0.291 7.774 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.669 1.097 7.162 1.00 0.00 H new ATOM 0 HD11 ILE A 90 117.802 4.772 9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.234 4.045 9.655 1.00 0.00 H new ATOM 0 HD13 ILE A 90 117.686 3.023 9.537 1.00 0.00 H new ATOM 1437 N GLY A 91 113.123 2.442 6.555 1.00 0.00 N ATOM 1438 CA GLY A 91 111.764 3.046 6.536 1.00 0.00 C ATOM 1439 C GLY A 91 111.039 2.645 7.820 1.00 0.00 C ATOM 1440 O GLY A 91 110.461 1.581 7.915 1.00 0.00 O ATOM 0 H GLY A 91 113.178 1.539 7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 91 111.833 4.131 6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.208 2.702 5.664 1.00 0.00 H new ATOM 1444 N LYS A 92 111.074 3.481 8.810 1.00 0.00 N ATOM 1445 CA LYS A 92 110.395 3.143 10.090 1.00 0.00 C ATOM 1446 C LYS A 92 108.954 3.636 10.033 1.00 0.00 C ATOM 1447 O LYS A 92 108.699 4.818 10.065 1.00 0.00 O ATOM 1448 CB LYS A 92 111.129 3.817 11.253 1.00 0.00 C ATOM 1449 CG LYS A 92 110.921 5.332 11.187 1.00 0.00 C ATOM 1450 CD LYS A 92 112.119 6.043 11.818 1.00 0.00 C ATOM 1451 CE LYS A 92 112.183 5.713 13.310 1.00 0.00 C ATOM 1452 NZ LYS A 92 112.750 4.347 13.493 1.00 0.00 N ATOM 0 H LYS A 92 111.543 4.386 8.792 1.00 0.00 H new ATOM 0 HA LYS A 92 110.406 2.064 10.241 1.00 0.00 H new ATOM 0 HB2 LYS A 92 110.758 3.431 12.202 1.00 0.00 H new ATOM 0 HB3 LYS A 92 112.193 3.584 11.208 1.00 0.00 H new ATOM 0 HG2 LYS A 92 110.802 5.648 10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 92 110.005 5.607 11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 92 113.040 5.731 11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.031 7.120 11.677 1.00 0.00 H new ATOM 0 HE2 LYS A 92 112.799 6.447 13.829 1.00 0.00 H new ATOM 0 HE3 LYS A 92 111.186 5.766 13.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 113.354 4.333 14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 111.976 3.662 13.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 113.316 4.091 12.659 1.00 0.00 H new ATOM 1466 N PHE A 93 108.012 2.739 9.937 1.00 0.00 N ATOM 1467 CA PHE A 93 106.584 3.155 9.865 1.00 0.00 C ATOM 1468 C PHE A 93 105.819 2.596 11.055 1.00 0.00 C ATOM 1469 O PHE A 93 105.961 1.446 11.424 1.00 0.00 O ATOM 1470 CB PHE A 93 105.964 2.629 8.563 1.00 0.00 C ATOM 1471 CG PHE A 93 106.164 3.621 7.431 1.00 0.00 C ATOM 1472 CD1 PHE A 93 106.843 4.829 7.647 1.00 0.00 C ATOM 1473 CD2 PHE A 93 105.667 3.321 6.157 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.022 5.732 6.592 1.00 0.00 C ATOM 1475 CE2 PHE A 93 105.846 4.226 5.102 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.523 5.431 5.321 1.00 0.00 C ATOM 0 H PHE A 93 108.171 1.732 9.905 1.00 0.00 H new ATOM 0 HA PHE A 93 106.527 4.243 9.884 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.417 1.673 8.299 1.00 0.00 H new ATOM 0 HB3 PHE A 93 104.899 2.447 8.709 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.228 5.063 8.628 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.145 2.391 5.987 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.546 6.661 6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.461 3.993 4.120 1.00 0.00 H new ATOM 0 HZ PHE A 93 106.660 6.129 4.508 1.00 0.00 H new ATOM 1486 N LYS A 94 105.002 3.413 11.652 1.00 0.00 N ATOM 1487 CA LYS A 94 104.206 2.959 12.820 1.00 0.00 C ATOM 1488 C LYS A 94 102.719 3.051 12.490 1.00 0.00 C ATOM 1489 O LYS A 94 102.183 4.121 12.286 1.00 0.00 O ATOM 1490 CB LYS A 94 104.509 3.841 14.030 1.00 0.00 C ATOM 1491 CG LYS A 94 105.832 3.408 14.659 1.00 0.00 C ATOM 1492 CD LYS A 94 106.169 4.337 15.826 1.00 0.00 C ATOM 1493 CE LYS A 94 107.543 3.972 16.390 1.00 0.00 C ATOM 1494 NZ LYS A 94 108.017 5.062 17.289 1.00 0.00 N ATOM 0 H LYS A 94 104.851 4.384 11.378 1.00 0.00 H new ATOM 0 HA LYS A 94 104.469 1.927 13.051 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.564 4.886 13.726 1.00 0.00 H new ATOM 0 HB3 LYS A 94 103.704 3.763 14.761 1.00 0.00 H new ATOM 0 HG2 LYS A 94 105.761 2.378 15.009 1.00 0.00 H new ATOM 0 HG3 LYS A 94 106.628 3.438 13.915 1.00 0.00 H new ATOM 0 HD2 LYS A 94 106.166 5.374 15.491 1.00 0.00 H new ATOM 0 HD3 LYS A 94 105.410 4.251 16.604 1.00 0.00 H new ATOM 0 HE2 LYS A 94 107.484 3.033 16.940 1.00 0.00 H new ATOM 0 HE3 LYS A 94 108.253 3.822 15.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 108.951 4.814 17.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 108.088 5.949 16.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 107.343 5.184 18.071 1.00 0.00 H new ATOM 1508 N ARG A 95 102.048 1.936 12.444 1.00 0.00 N ATOM 1509 CA ARG A 95 100.593 1.960 12.134 1.00 0.00 C ATOM 1510 C ARG A 95 99.921 3.003 13.021 1.00 0.00 C ATOM 1511 O ARG A 95 99.889 2.879 14.226 1.00 0.00 O ATOM 1512 CB ARG A 95 99.982 0.583 12.409 1.00 0.00 C ATOM 1513 CG ARG A 95 100.642 -0.460 11.503 1.00 0.00 C ATOM 1514 CD ARG A 95 99.639 -1.573 11.189 1.00 0.00 C ATOM 1515 NE ARG A 95 99.296 -2.305 12.441 1.00 0.00 N ATOM 1516 CZ ARG A 95 98.486 -3.328 12.396 1.00 0.00 C ATOM 1517 NH1 ARG A 95 98.183 -3.970 13.490 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.978 -3.707 11.256 1.00 0.00 N ATOM 0 H ARG A 95 102.443 1.010 12.607 1.00 0.00 H new ATOM 0 HA ARG A 95 100.443 2.211 11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.124 0.313 13.455 1.00 0.00 H new ATOM 0 HB3 ARG A 95 98.907 0.608 12.229 1.00 0.00 H new ATOM 0 HG2 ARG A 95 100.982 0.008 10.579 1.00 0.00 H new ATOM 0 HG3 ARG A 95 101.522 -0.877 11.992 1.00 0.00 H new ATOM 0 HD2 ARG A 95 98.738 -1.150 10.745 1.00 0.00 H new ATOM 0 HD3 ARG A 95 100.062 -2.262 10.457 1.00 0.00 H new ATOM 0 HE ARG A 95 99.694 -2.007 13.332 1.00 0.00 H new ATOM 0 HH11 ARG A 95 98.579 -3.673 14.382 1.00 0.00 H new ATOM 0 HH12 ARG A 95 97.550 -4.769 13.454 1.00 0.00 H new ATOM 0 HH21 ARG A 95 98.214 -3.204 10.400 1.00 0.00 H new ATOM 0 HH22 ARG A 95 97.345 -4.506 11.220 1.00 0.00 H new ATOM 1532 N THR A 96 99.391 4.037 12.439 1.00 0.00 N ATOM 1533 CA THR A 96 98.735 5.085 13.265 1.00 0.00 C ATOM 1534 C THR A 96 97.414 4.559 13.787 1.00 0.00 C ATOM 1535 O THR A 96 96.772 5.141 14.638 1.00 0.00 O ATOM 1536 CB THR A 96 98.496 6.322 12.406 1.00 0.00 C ATOM 1537 OG1 THR A 96 98.575 5.960 11.034 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.554 7.377 12.718 1.00 0.00 C ATOM 0 H THR A 96 99.383 4.203 11.433 1.00 0.00 H new ATOM 0 HA THR A 96 99.375 5.347 14.108 1.00 0.00 H new ATOM 0 HB THR A 96 97.509 6.731 12.622 1.00 0.00 H new ATOM 0 HG1 THR A 96 99.386 6.345 10.640 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.380 8.260 12.102 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.494 7.652 13.771 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.544 6.974 12.504 1.00 0.00 H new ATOM 1546 N ASP A 97 97.026 3.460 13.268 1.00 0.00 N ATOM 1547 CA ASP A 97 95.748 2.826 13.685 1.00 0.00 C ATOM 1548 C ASP A 97 95.998 1.894 14.872 1.00 0.00 C ATOM 1549 O ASP A 97 95.223 1.845 15.806 1.00 0.00 O ATOM 1550 CB ASP A 97 95.173 2.022 12.517 1.00 0.00 C ATOM 1551 CG ASP A 97 93.665 1.853 12.705 1.00 0.00 C ATOM 1552 OD1 ASP A 97 93.221 0.720 12.792 1.00 0.00 O ATOM 1553 OD2 ASP A 97 92.978 2.861 12.759 1.00 0.00 O ATOM 0 H ASP A 97 97.543 2.948 12.553 1.00 0.00 H new ATOM 0 HA ASP A 97 95.040 3.601 13.978 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.378 2.532 11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 97 95.655 1.046 12.462 1.00 0.00 H new ATOM 1558 N ASN A 98 97.070 1.149 14.841 1.00 0.00 N ATOM 1559 CA ASN A 98 97.363 0.216 15.965 1.00 0.00 C ATOM 1560 C ASN A 98 98.824 0.356 16.405 1.00 0.00 C ATOM 1561 O ASN A 98 99.308 -0.408 17.217 1.00 0.00 O ATOM 1562 CB ASN A 98 97.105 -1.223 15.511 1.00 0.00 C ATOM 1563 CG ASN A 98 96.839 -2.104 16.733 1.00 0.00 C ATOM 1564 OD1 ASN A 98 96.148 -3.099 16.639 1.00 0.00 O ATOM 1565 ND2 ASN A 98 97.360 -1.778 17.885 1.00 0.00 N ATOM 0 H ASN A 98 97.755 1.147 14.085 1.00 0.00 H new ATOM 0 HA ASN A 98 96.715 0.461 16.806 1.00 0.00 H new ATOM 0 HB2 ASN A 98 96.251 -1.254 14.834 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.965 -1.601 14.957 1.00 0.00 H new ATOM 0 HD21 ASN A 98 97.187 -2.359 18.706 1.00 0.00 H new ATOM 0 HD22 ASN A 98 97.940 -0.943 17.964 1.00 0.00 H new ATOM 1572 N GLY A 99 99.535 1.319 15.882 1.00 0.00 N ATOM 1573 CA GLY A 99 100.962 1.488 16.285 1.00 0.00 C ATOM 1574 C GLY A 99 101.641 0.119 16.362 1.00 0.00 C ATOM 1575 O GLY A 99 102.498 -0.114 17.191 1.00 0.00 O ATOM 0 H GLY A 99 99.192 1.993 15.197 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.481 2.122 15.566 1.00 0.00 H new ATOM 0 HA3 GLY A 99 101.020 1.989 17.251 1.00 0.00 H new ATOM 1579 N ASN A 100 101.267 -0.791 15.502 1.00 0.00 N ATOM 1580 CA ASN A 100 101.893 -2.145 15.529 1.00 0.00 C ATOM 1581 C ASN A 100 103.298 -2.065 14.940 1.00 0.00 C ATOM 1582 O ASN A 100 103.884 -3.055 14.552 1.00 0.00 O ATOM 1583 CB ASN A 100 101.048 -3.109 14.706 1.00 0.00 C ATOM 1584 CG ASN A 100 101.288 -4.542 15.187 1.00 0.00 C ATOM 1585 OD1 ASN A 100 102.258 -4.811 15.868 1.00 0.00 O ATOM 1586 ND2 ASN A 100 100.441 -5.478 14.860 1.00 0.00 N ATOM 0 H ASN A 100 100.556 -0.655 14.783 1.00 0.00 H new ATOM 0 HA ASN A 100 101.951 -2.501 16.557 1.00 0.00 H new ATOM 0 HB2 ASN A 100 99.992 -2.855 14.801 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.303 -3.022 13.650 1.00 0.00 H new ATOM 0 HD21 ASN A 100 100.593 -6.436 15.176 1.00 0.00 H new ATOM 0 HD22 ASN A 100 99.627 -5.252 14.288 1.00 0.00 H new ATOM 1593 N GLU A 101 103.827 -0.883 14.888 1.00 0.00 N ATOM 1594 CA GLU A 101 105.202 -0.661 14.344 1.00 0.00 C ATOM 1595 C GLU A 101 105.426 -1.444 13.044 1.00 0.00 C ATOM 1596 O GLU A 101 104.757 -2.415 12.754 1.00 0.00 O ATOM 1597 CB GLU A 101 106.247 -1.077 15.390 1.00 0.00 C ATOM 1598 CG GLU A 101 106.354 -2.603 15.463 1.00 0.00 C ATOM 1599 CD GLU A 101 107.608 -2.986 16.251 1.00 0.00 C ATOM 1600 OE1 GLU A 101 107.581 -4.017 16.903 1.00 0.00 O ATOM 1601 OE2 GLU A 101 108.573 -2.241 16.190 1.00 0.00 O ATOM 0 H GLU A 101 103.358 -0.035 15.206 1.00 0.00 H new ATOM 0 HA GLU A 101 105.308 0.400 14.119 1.00 0.00 H new ATOM 0 HB2 GLU A 101 107.217 -0.650 15.134 1.00 0.00 H new ATOM 0 HB3 GLU A 101 105.972 -0.679 16.366 1.00 0.00 H new ATOM 0 HG2 GLU A 101 105.468 -3.018 15.943 1.00 0.00 H new ATOM 0 HG3 GLU A 101 106.399 -3.024 14.459 1.00 0.00 H new ATOM 1608 N LEU A 102 106.384 -1.019 12.268 1.00 0.00 N ATOM 1609 CA LEU A 102 106.705 -1.707 10.989 1.00 0.00 C ATOM 1610 C LEU A 102 108.140 -1.339 10.609 1.00 0.00 C ATOM 1611 O LEU A 102 108.508 -0.182 10.619 1.00 0.00 O ATOM 1612 CB LEU A 102 105.741 -1.243 9.890 1.00 0.00 C ATOM 1613 CG LEU A 102 106.144 -1.873 8.549 1.00 0.00 C ATOM 1614 CD1 LEU A 102 104.889 -2.191 7.731 1.00 0.00 C ATOM 1615 CD2 LEU A 102 107.026 -0.896 7.761 1.00 0.00 C ATOM 0 H LEU A 102 106.968 -0.208 12.472 1.00 0.00 H new ATOM 0 HA LEU A 102 106.604 -2.786 11.102 1.00 0.00 H new ATOM 0 HB2 LEU A 102 104.720 -1.528 10.144 1.00 0.00 H new ATOM 0 HB3 LEU A 102 105.759 -0.156 9.812 1.00 0.00 H new ATOM 0 HG LEU A 102 106.699 -2.792 8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 102 105.178 -2.638 6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 102 104.261 -2.890 8.284 1.00 0.00 H new ATOM 0 HD13 LEU A 102 104.333 -1.272 7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 102 107.309 -1.347 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 102 106.473 0.025 7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 102 107.923 -0.670 8.337 1.00 0.00 H new ATOM 1627 N ASN A 103 108.960 -2.302 10.284 1.00 0.00 N ATOM 1628 CA ASN A 103 110.370 -1.977 9.922 1.00 0.00 C ATOM 1629 C ASN A 103 110.628 -2.403 8.480 1.00 0.00 C ATOM 1630 O ASN A 103 110.519 -3.561 8.142 1.00 0.00 O ATOM 1631 CB ASN A 103 111.332 -2.714 10.862 1.00 0.00 C ATOM 1632 CG ASN A 103 110.572 -3.189 12.103 1.00 0.00 C ATOM 1633 OD1 ASN A 103 109.515 -3.941 11.959 1.00 0.00 O flip ATOM 1634 ND2 ASN A 103 110.945 -2.874 13.215 1.00 0.00 N flip ATOM 0 H ASN A 103 108.717 -3.292 10.253 1.00 0.00 H new ATOM 0 HA ASN A 103 110.534 -0.904 10.020 1.00 0.00 H new ATOM 0 HB2 ASN A 103 111.778 -3.565 10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.149 -2.054 11.154 1.00 0.00 H new ATOM 0 HD21 ASN A 103 111.771 -2.286 13.328 1.00 0.00 H new ATOM 0 HD22 ASN A 103 110.432 -3.197 14.035 1.00 0.00 H new ATOM 1641 N THR A 104 110.958 -1.478 7.621 1.00 0.00 N ATOM 1642 CA THR A 104 111.199 -1.847 6.202 1.00 0.00 C ATOM 1643 C THR A 104 112.524 -1.262 5.707 1.00 0.00 C ATOM 1644 O THR A 104 113.200 -0.534 6.406 1.00 0.00 O ATOM 1645 CB THR A 104 110.063 -1.290 5.345 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.416 -1.380 3.971 1.00 0.00 O ATOM 1647 CG2 THR A 104 109.827 0.173 5.719 1.00 0.00 C ATOM 0 H THR A 104 111.070 -0.488 7.841 1.00 0.00 H new ATOM 0 HA THR A 104 111.243 -2.933 6.125 1.00 0.00 H new ATOM 0 HB THR A 104 109.154 -1.865 5.520 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.455 -2.322 3.704 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.018 0.578 5.112 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.558 0.240 6.773 1.00 0.00 H new ATOM 0 HG23 THR A 104 110.737 0.746 5.539 1.00 0.00 H new ATOM 1655 N VAL A 105 112.884 -1.577 4.491 1.00 0.00 N ATOM 1656 CA VAL A 105 114.147 -1.050 3.912 1.00 0.00 C ATOM 1657 C VAL A 105 113.950 -0.839 2.409 1.00 0.00 C ATOM 1658 O VAL A 105 113.068 -1.418 1.807 1.00 0.00 O ATOM 1659 CB VAL A 105 115.278 -2.053 4.147 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.486 -1.672 3.291 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.676 -2.037 5.625 1.00 0.00 C ATOM 0 H VAL A 105 112.349 -2.184 3.870 1.00 0.00 H new ATOM 0 HA VAL A 105 114.406 -0.104 4.388 1.00 0.00 H new ATOM 0 HB VAL A 105 114.939 -3.052 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.291 -2.387 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.204 -1.684 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 105 116.825 -0.673 3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.482 -2.752 5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 105 116.014 -1.038 5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.816 -2.310 6.236 1.00 0.00 H new ATOM 1671 N ARG A 106 114.754 -0.014 1.797 1.00 0.00 N ATOM 1672 CA ARG A 106 114.598 0.230 0.335 1.00 0.00 C ATOM 1673 C ARG A 106 115.957 0.111 -0.355 1.00 0.00 C ATOM 1674 O ARG A 106 116.952 0.628 0.115 1.00 0.00 O ATOM 1675 CB ARG A 106 114.029 1.634 0.111 1.00 0.00 C ATOM 1676 CG ARG A 106 114.217 2.037 -1.353 1.00 0.00 C ATOM 1677 CD ARG A 106 113.229 3.150 -1.707 1.00 0.00 C ATOM 1678 NE ARG A 106 113.178 4.143 -0.597 1.00 0.00 N ATOM 1679 CZ ARG A 106 112.704 5.340 -0.812 1.00 0.00 C ATOM 1680 NH1 ARG A 106 112.657 6.207 0.162 1.00 0.00 N ATOM 1681 NH2 ARG A 106 112.275 5.668 -2.000 1.00 0.00 N ATOM 0 H ARG A 106 115.512 0.501 2.245 1.00 0.00 H new ATOM 0 HA ARG A 106 113.916 -0.510 -0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 106 112.971 1.654 0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.531 2.349 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 106 115.239 2.377 -1.519 1.00 0.00 H new ATOM 0 HG3 ARG A 106 114.058 1.175 -2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 106 113.533 3.639 -2.633 1.00 0.00 H new ATOM 0 HD3 ARG A 106 112.238 2.730 -1.879 1.00 0.00 H new ATOM 0 HE ARG A 106 113.514 3.887 0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 106 112.991 5.949 1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 106 112.287 7.143 -0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 106 112.310 4.989 -2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 106 111.905 6.603 -2.168 1.00 0.00 H new ATOM 1695 N GLU A 107 116.004 -0.567 -1.469 1.00 0.00 N ATOM 1696 CA GLU A 107 117.292 -0.724 -2.198 1.00 0.00 C ATOM 1697 C GLU A 107 117.024 -0.643 -3.701 1.00 0.00 C ATOM 1698 O GLU A 107 115.919 -0.860 -4.152 1.00 0.00 O ATOM 1699 CB GLU A 107 117.912 -2.083 -1.861 1.00 0.00 C ATOM 1700 CG GLU A 107 118.685 -1.981 -0.544 1.00 0.00 C ATOM 1701 CD GLU A 107 119.468 -3.275 -0.310 1.00 0.00 C ATOM 1702 OE1 GLU A 107 120.685 -3.226 -0.371 1.00 0.00 O ATOM 1703 OE2 GLU A 107 118.836 -4.291 -0.075 1.00 0.00 O ATOM 0 H GLU A 107 115.202 -1.020 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 107 117.981 0.067 -1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.132 -2.840 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.579 -2.399 -2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 107 119.367 -1.131 -0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 107 117.996 -1.806 0.282 1.00 0.00 H new ATOM 1710 N ILE A 108 118.023 -0.334 -4.481 1.00 0.00 N ATOM 1711 CA ILE A 108 117.825 -0.244 -5.942 1.00 0.00 C ATOM 1712 C ILE A 108 118.788 -1.209 -6.612 1.00 0.00 C ATOM 1713 O ILE A 108 119.867 -0.846 -7.035 1.00 0.00 O ATOM 1714 CB ILE A 108 118.103 1.177 -6.404 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.647 2.163 -5.317 1.00 0.00 C ATOM 1716 CG2 ILE A 108 117.330 1.421 -7.691 1.00 0.00 C ATOM 1717 CD1 ILE A 108 117.066 3.424 -5.961 1.00 0.00 C ATOM 0 H ILE A 108 118.972 -0.140 -4.160 1.00 0.00 H new ATOM 0 HA ILE A 108 116.799 -0.502 -6.205 1.00 0.00 H new ATOM 0 HB ILE A 108 119.169 1.320 -6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 108 116.898 1.693 -4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.490 2.427 -4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 108 117.516 2.437 -8.040 1.00 0.00 H new ATOM 0 HG22 ILE A 108 117.655 0.711 -8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.264 1.291 -7.505 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.746 4.116 -5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.827 3.900 -6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.211 3.155 -6.581 1.00 0.00 H new ATOM 1729 N ILE A 109 118.404 -2.444 -6.691 1.00 0.00 N ATOM 1730 CA ILE A 109 119.293 -3.460 -7.309 1.00 0.00 C ATOM 1731 C ILE A 109 119.577 -3.075 -8.758 1.00 0.00 C ATOM 1732 O ILE A 109 118.853 -3.435 -9.663 1.00 0.00 O ATOM 1733 CB ILE A 109 118.612 -4.831 -7.262 1.00 0.00 C ATOM 1734 CG1 ILE A 109 118.706 -5.398 -5.839 1.00 0.00 C ATOM 1735 CG2 ILE A 109 119.298 -5.786 -8.245 1.00 0.00 C ATOM 1736 CD1 ILE A 109 120.063 -6.080 -5.635 1.00 0.00 C ATOM 0 H ILE A 109 117.509 -2.798 -6.353 1.00 0.00 H new ATOM 0 HA ILE A 109 120.232 -3.505 -6.758 1.00 0.00 H new ATOM 0 HB ILE A 109 117.564 -4.724 -7.542 1.00 0.00 H new ATOM 0 HG12 ILE A 109 118.579 -4.597 -5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 109 117.901 -6.113 -5.670 1.00 0.00 H new ATOM 0 HG21 ILE A 109 118.809 -6.760 -8.207 1.00 0.00 H new ATOM 0 HG22 ILE A 109 119.225 -5.382 -9.255 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.348 -5.896 -7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 109 120.121 -6.479 -4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 109 120.173 -6.893 -6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 109 120.862 -5.353 -5.785 1.00 0.00 H new ATOM 1748 N GLY A 110 120.644 -2.361 -8.975 1.00 0.00 N ATOM 1749 CA GLY A 110 121.016 -1.954 -10.361 1.00 0.00 C ATOM 1750 C GLY A 110 119.804 -1.389 -11.110 1.00 0.00 C ATOM 1751 O GLY A 110 119.702 -0.198 -11.329 1.00 0.00 O ATOM 0 H GLY A 110 121.281 -2.038 -8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.807 -1.205 -10.324 1.00 0.00 H new ATOM 0 HA3 GLY A 110 121.415 -2.812 -10.902 1.00 0.00 H new ATOM 1755 N ASP A 111 118.899 -2.235 -11.532 1.00 0.00 N ATOM 1756 CA ASP A 111 117.716 -1.746 -12.298 1.00 0.00 C ATOM 1757 C ASP A 111 116.411 -2.217 -11.648 1.00 0.00 C ATOM 1758 O ASP A 111 115.417 -2.418 -12.318 1.00 0.00 O ATOM 1759 CB ASP A 111 117.798 -2.273 -13.735 1.00 0.00 C ATOM 1760 CG ASP A 111 118.706 -3.504 -13.778 1.00 0.00 C ATOM 1761 OD1 ASP A 111 119.472 -3.618 -14.720 1.00 0.00 O ATOM 1762 OD2 ASP A 111 118.619 -4.311 -12.867 1.00 0.00 O ATOM 0 H ASP A 111 118.929 -3.243 -11.379 1.00 0.00 H new ATOM 0 HA ASP A 111 117.722 -0.656 -12.298 1.00 0.00 H new ATOM 0 HB2 ASP A 111 116.802 -2.530 -14.096 1.00 0.00 H new ATOM 0 HB3 ASP A 111 118.187 -1.498 -14.396 1.00 0.00 H new ATOM 1767 N GLU A 112 116.392 -2.397 -10.358 1.00 0.00 N ATOM 1768 CA GLU A 112 115.135 -2.849 -9.698 1.00 0.00 C ATOM 1769 C GLU A 112 115.031 -2.224 -8.304 1.00 0.00 C ATOM 1770 O GLU A 112 116.023 -2.000 -7.644 1.00 0.00 O ATOM 1771 CB GLU A 112 115.143 -4.375 -9.578 1.00 0.00 C ATOM 1772 CG GLU A 112 114.811 -4.997 -10.936 1.00 0.00 C ATOM 1773 CD GLU A 112 114.966 -6.516 -10.854 1.00 0.00 C ATOM 1774 OE1 GLU A 112 114.043 -7.162 -10.385 1.00 0.00 O ATOM 1775 OE2 GLU A 112 116.005 -7.009 -11.261 1.00 0.00 O ATOM 0 H GLU A 112 117.186 -2.252 -9.735 1.00 0.00 H new ATOM 0 HA GLU A 112 114.279 -2.536 -10.296 1.00 0.00 H new ATOM 0 HB2 GLU A 112 116.120 -4.718 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.416 -4.695 -8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 112 113.792 -4.740 -11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 112 115.472 -4.594 -11.703 1.00 0.00 H new ATOM 1782 N LEU A 113 113.834 -1.943 -7.844 1.00 0.00 N ATOM 1783 CA LEU A 113 113.685 -1.337 -6.490 1.00 0.00 C ATOM 1784 C LEU A 113 113.242 -2.418 -5.513 1.00 0.00 C ATOM 1785 O LEU A 113 112.165 -2.966 -5.630 1.00 0.00 O ATOM 1786 CB LEU A 113 112.635 -0.225 -6.527 1.00 0.00 C ATOM 1787 CG LEU A 113 112.780 0.656 -5.284 1.00 0.00 C ATOM 1788 CD1 LEU A 113 113.830 1.740 -5.542 1.00 0.00 C ATOM 1789 CD2 LEU A 113 111.436 1.315 -4.967 1.00 0.00 C ATOM 0 H LEU A 113 112.962 -2.107 -8.347 1.00 0.00 H new ATOM 0 HA LEU A 113 114.638 -0.914 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 113 112.758 0.376 -7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.635 -0.656 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 113 113.094 0.042 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 113 113.932 2.366 -4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 113 114.788 1.272 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 113 113.519 2.355 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 113 111.538 1.943 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.123 1.928 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.688 0.544 -4.781 1.00 0.00 H new ATOM 1801 N VAL A 114 114.060 -2.739 -4.551 1.00 0.00 N ATOM 1802 CA VAL A 114 113.673 -3.796 -3.579 1.00 0.00 C ATOM 1803 C VAL A 114 113.227 -3.154 -2.268 1.00 0.00 C ATOM 1804 O VAL A 114 114.025 -2.632 -1.516 1.00 0.00 O ATOM 1805 CB VAL A 114 114.869 -4.713 -3.315 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.403 -5.947 -2.540 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.484 -5.148 -4.647 1.00 0.00 C ATOM 0 H VAL A 114 114.976 -2.317 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 114 112.851 -4.379 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 114 115.616 -4.177 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.254 -6.601 -2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.966 -5.637 -1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.656 -6.483 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.336 -5.801 -4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.738 -5.684 -5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.816 -4.269 -5.199 1.00 0.00 H new ATOM 1817 N GLN A 115 111.956 -3.206 -1.982 1.00 0.00 N ATOM 1818 CA GLN A 115 111.451 -2.618 -0.714 1.00 0.00 C ATOM 1819 C GLN A 115 111.030 -3.762 0.203 1.00 0.00 C ATOM 1820 O GLN A 115 110.020 -4.401 -0.015 1.00 0.00 O ATOM 1821 CB GLN A 115 110.248 -1.719 -1.006 1.00 0.00 C ATOM 1822 CG GLN A 115 110.075 -0.712 0.134 1.00 0.00 C ATOM 1823 CD GLN A 115 108.984 0.295 -0.237 1.00 0.00 C ATOM 1824 OE1 GLN A 115 107.919 0.297 0.349 1.00 0.00 O ATOM 1825 NE2 GLN A 115 109.204 1.155 -1.192 1.00 0.00 N ATOM 0 H GLN A 115 111.244 -3.632 -2.575 1.00 0.00 H new ATOM 0 HA GLN A 115 112.227 -2.019 -0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.393 -1.194 -1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.347 -2.323 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.808 -1.231 1.055 1.00 0.00 H new ATOM 0 HG3 GLN A 115 111.015 -0.193 0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 115 110.098 1.153 -1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 115 108.483 1.829 -1.447 1.00 0.00 H new ATOM 1834 N THR A 116 111.801 -4.041 1.216 1.00 0.00 N ATOM 1835 CA THR A 116 111.442 -5.159 2.127 1.00 0.00 C ATOM 1836 C THR A 116 110.854 -4.607 3.416 1.00 0.00 C ATOM 1837 O THR A 116 111.255 -3.571 3.904 1.00 0.00 O ATOM 1838 CB THR A 116 112.690 -5.974 2.461 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.581 -5.955 1.354 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.297 -7.417 2.780 1.00 0.00 C ATOM 0 H THR A 116 112.661 -3.545 1.451 1.00 0.00 H new ATOM 0 HA THR A 116 110.708 -5.795 1.632 1.00 0.00 H new ATOM 0 HB THR A 116 113.182 -5.537 3.330 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.382 -6.477 1.570 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.191 -7.994 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.620 -7.429 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.800 -7.858 1.916 1.00 0.00 H new ATOM 1848 N TYR A 117 109.922 -5.309 3.984 1.00 0.00 N ATOM 1849 CA TYR A 117 109.320 -4.843 5.265 1.00 0.00 C ATOM 1850 C TYR A 117 109.440 -5.934 6.305 1.00 0.00 C ATOM 1851 O TYR A 117 109.566 -7.099 5.999 1.00 0.00 O ATOM 1852 CB TYR A 117 107.836 -4.505 5.105 1.00 0.00 C ATOM 1853 CG TYR A 117 107.612 -3.797 3.807 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.834 -4.481 2.623 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.176 -2.468 3.789 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.624 -3.843 1.397 1.00 0.00 C ATOM 1857 CE2 TYR A 117 106.965 -1.821 2.568 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.189 -2.510 1.368 1.00 0.00 C ATOM 1859 OH TYR A 117 106.981 -1.877 0.160 1.00 0.00 O ATOM 0 H TYR A 117 109.548 -6.186 3.620 1.00 0.00 H new ATOM 0 HA TYR A 117 109.857 -3.945 5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.241 -5.417 5.139 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.506 -3.878 5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.169 -5.507 2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 117 107.003 -1.943 4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.796 -4.376 0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.631 -0.794 2.549 1.00 0.00 H new ATOM 0 HH TYR A 117 107.091 -0.910 0.274 1.00 0.00 H new ATOM 1869 N VAL A 118 109.363 -5.548 7.531 1.00 0.00 N ATOM 1870 CA VAL A 118 109.427 -6.532 8.644 1.00 0.00 C ATOM 1871 C VAL A 118 108.230 -6.305 9.536 1.00 0.00 C ATOM 1872 O VAL A 118 107.742 -5.200 9.678 1.00 0.00 O ATOM 1873 CB VAL A 118 110.688 -6.345 9.479 1.00 0.00 C ATOM 1874 CG1 VAL A 118 110.869 -7.554 10.404 1.00 0.00 C ATOM 1875 CG2 VAL A 118 111.905 -6.207 8.565 1.00 0.00 C ATOM 0 H VAL A 118 109.256 -4.577 7.824 1.00 0.00 H new ATOM 0 HA VAL A 118 109.436 -7.538 8.224 1.00 0.00 H new ATOM 0 HB VAL A 118 110.592 -5.439 10.078 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.771 -7.423 11.002 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.005 -7.640 11.063 1.00 0.00 H new ATOM 0 HG13 VAL A 118 110.960 -8.460 9.805 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.802 -6.074 9.170 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.008 -7.106 7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.775 -5.342 7.914 1.00 0.00 H new ATOM 1885 N TYR A 119 107.750 -7.339 10.133 1.00 0.00 N ATOM 1886 CA TYR A 119 106.570 -7.179 11.014 1.00 0.00 C ATOM 1887 C TYR A 119 106.659 -8.124 12.213 1.00 0.00 C ATOM 1888 O TYR A 119 106.525 -9.326 12.094 1.00 0.00 O ATOM 1889 CB TYR A 119 105.306 -7.478 10.210 1.00 0.00 C ATOM 1890 CG TYR A 119 104.211 -6.519 10.602 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.497 -6.732 11.780 1.00 0.00 C ATOM 1892 CD2 TYR A 119 103.901 -5.430 9.780 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.465 -5.858 12.141 1.00 0.00 C ATOM 1894 CE2 TYR A 119 102.874 -4.552 10.141 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.155 -4.767 11.321 1.00 0.00 C ATOM 1896 OH TYR A 119 101.136 -3.907 11.672 1.00 0.00 O ATOM 0 H TYR A 119 108.117 -8.288 10.054 1.00 0.00 H new ATOM 0 HA TYR A 119 106.540 -6.156 11.388 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.514 -7.391 9.144 1.00 0.00 H new ATOM 0 HB3 TYR A 119 104.984 -8.504 10.389 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.740 -7.572 12.414 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.455 -5.267 8.867 1.00 0.00 H new ATOM 0 HE1 TYR A 119 101.909 -6.025 13.051 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.636 -3.709 9.509 1.00 0.00 H new ATOM 0 HH TYR A 119 101.492 -2.999 11.765 1.00 0.00 H new ATOM 1906 N GLU A 120 106.868 -7.566 13.368 1.00 0.00 N ATOM 1907 CA GLU A 120 106.948 -8.377 14.619 1.00 0.00 C ATOM 1908 C GLU A 120 107.859 -9.584 14.433 1.00 0.00 C ATOM 1909 O GLU A 120 107.801 -10.537 15.184 1.00 0.00 O ATOM 1910 CB GLU A 120 105.547 -8.850 15.010 1.00 0.00 C ATOM 1911 CG GLU A 120 104.814 -7.727 15.745 1.00 0.00 C ATOM 1912 CD GLU A 120 105.192 -7.754 17.228 1.00 0.00 C ATOM 1913 OE1 GLU A 120 106.378 -7.736 17.518 1.00 0.00 O ATOM 1914 OE2 GLU A 120 104.289 -7.793 18.048 1.00 0.00 O ATOM 0 H GLU A 120 106.990 -6.563 13.505 1.00 0.00 H new ATOM 0 HA GLU A 120 107.365 -7.751 15.408 1.00 0.00 H new ATOM 0 HB2 GLU A 120 104.989 -9.141 14.120 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.614 -9.732 15.647 1.00 0.00 H new ATOM 0 HG2 GLU A 120 105.075 -6.762 15.310 1.00 0.00 H new ATOM 0 HG3 GLU A 120 103.737 -7.847 15.631 1.00 0.00 H new ATOM 1921 N GLY A 121 108.705 -9.549 13.453 1.00 0.00 N ATOM 1922 CA GLY A 121 109.630 -10.694 13.233 1.00 0.00 C ATOM 1923 C GLY A 121 109.270 -11.390 11.931 1.00 0.00 C ATOM 1924 O GLY A 121 109.511 -12.567 11.754 1.00 0.00 O ATOM 0 H GLY A 121 108.800 -8.779 12.791 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.661 -10.341 13.197 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.562 -11.396 14.064 1.00 0.00 H new ATOM 1928 N VAL A 122 108.716 -10.661 11.006 1.00 0.00 N ATOM 1929 CA VAL A 122 108.364 -11.258 9.703 1.00 0.00 C ATOM 1930 C VAL A 122 109.063 -10.449 8.644 1.00 0.00 C ATOM 1931 O VAL A 122 109.713 -9.468 8.936 1.00 0.00 O ATOM 1932 CB VAL A 122 106.858 -11.218 9.473 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.473 -9.949 8.713 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.437 -12.443 8.668 1.00 0.00 C ATOM 0 H VAL A 122 108.493 -9.670 11.103 1.00 0.00 H new ATOM 0 HA VAL A 122 108.672 -12.303 9.673 1.00 0.00 H new ATOM 0 HB VAL A 122 106.350 -11.219 10.437 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.395 -9.933 8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.768 -9.074 9.292 1.00 0.00 H new ATOM 0 HG13 VAL A 122 106.981 -9.934 7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.360 -12.417 8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 122 106.952 -12.442 7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.697 -13.347 9.218 1.00 0.00 H new ATOM 1944 N GLU A 123 108.950 -10.838 7.424 1.00 0.00 N ATOM 1945 CA GLU A 123 109.639 -10.052 6.377 1.00 0.00 C ATOM 1946 C GLU A 123 108.985 -10.242 5.006 1.00 0.00 C ATOM 1947 O GLU A 123 108.846 -11.346 4.517 1.00 0.00 O ATOM 1948 CB GLU A 123 111.102 -10.486 6.307 1.00 0.00 C ATOM 1949 CG GLU A 123 111.208 -11.819 5.565 1.00 0.00 C ATOM 1950 CD GLU A 123 112.554 -12.474 5.880 1.00 0.00 C ATOM 1951 OE1 GLU A 123 113.233 -11.990 6.770 1.00 0.00 O ATOM 1952 OE2 GLU A 123 112.883 -13.450 5.224 1.00 0.00 O ATOM 0 H GLU A 123 108.422 -11.650 7.103 1.00 0.00 H new ATOM 0 HA GLU A 123 109.566 -8.997 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.693 -9.726 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.511 -10.585 7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 123 110.393 -12.478 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.113 -11.658 4.491 1.00 0.00 H new ATOM 1959 N ALA A 124 108.619 -9.161 4.367 1.00 0.00 N ATOM 1960 CA ALA A 124 108.015 -9.253 3.007 1.00 0.00 C ATOM 1961 C ALA A 124 108.948 -8.540 2.028 1.00 0.00 C ATOM 1962 O ALA A 124 109.645 -7.618 2.400 1.00 0.00 O ATOM 1963 CB ALA A 124 106.641 -8.577 2.993 1.00 0.00 C ATOM 0 H ALA A 124 108.714 -8.213 4.732 1.00 0.00 H new ATOM 0 HA ALA A 124 107.888 -10.298 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.210 -8.650 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 124 105.985 -9.072 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.749 -7.527 3.265 1.00 0.00 H new ATOM 1969 N LYS A 125 108.989 -8.952 0.786 1.00 0.00 N ATOM 1970 CA LYS A 125 109.905 -8.273 -0.175 1.00 0.00 C ATOM 1971 C LYS A 125 109.141 -7.803 -1.411 1.00 0.00 C ATOM 1972 O LYS A 125 108.292 -8.493 -1.937 1.00 0.00 O ATOM 1973 CB LYS A 125 111.009 -9.240 -0.604 1.00 0.00 C ATOM 1974 CG LYS A 125 112.248 -8.447 -1.030 1.00 0.00 C ATOM 1975 CD LYS A 125 113.177 -9.342 -1.856 1.00 0.00 C ATOM 1976 CE LYS A 125 113.934 -10.291 -0.925 1.00 0.00 C ATOM 1977 NZ LYS A 125 114.788 -9.498 0.004 1.00 0.00 N ATOM 0 H LYS A 125 108.436 -9.718 0.401 1.00 0.00 H new ATOM 0 HA LYS A 125 110.341 -7.406 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.259 -9.911 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.661 -9.862 -1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.951 -7.577 -1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.773 -8.075 -0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 125 112.598 -9.913 -2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.881 -8.731 -2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 125 113.230 -10.900 -0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 125 114.550 -10.975 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 115.604 -10.071 0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 115.124 -8.641 -0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 114.233 -9.228 0.841 1.00 0.00 H new ATOM 1991 N ARG A 126 109.459 -6.628 -1.886 1.00 0.00 N ATOM 1992 CA ARG A 126 108.781 -6.093 -3.100 1.00 0.00 C ATOM 1993 C ARG A 126 109.855 -5.617 -4.082 1.00 0.00 C ATOM 1994 O ARG A 126 110.583 -4.686 -3.808 1.00 0.00 O ATOM 1995 CB ARG A 126 107.881 -4.918 -2.702 1.00 0.00 C ATOM 1996 CG ARG A 126 106.411 -5.312 -2.872 1.00 0.00 C ATOM 1997 CD ARG A 126 105.519 -4.243 -2.241 1.00 0.00 C ATOM 1998 NE ARG A 126 104.149 -4.333 -2.820 1.00 0.00 N ATOM 1999 CZ ARG A 126 103.159 -3.697 -2.257 1.00 0.00 C ATOM 2000 NH1 ARG A 126 101.959 -3.778 -2.764 1.00 0.00 N ATOM 2001 NH2 ARG A 126 103.367 -2.980 -1.186 1.00 0.00 N ATOM 0 H ARG A 126 110.165 -6.013 -1.481 1.00 0.00 H new ATOM 0 HA ARG A 126 108.169 -6.865 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 126 108.074 -4.634 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 126 108.108 -4.048 -3.319 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.173 -5.421 -3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.226 -6.278 -2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.478 -4.380 -1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 126 105.937 -3.253 -2.421 1.00 0.00 H new ATOM 0 HE ARG A 126 103.985 -4.892 -3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 126 101.795 -4.339 -3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 126 101.185 -3.281 -2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 126 104.304 -2.917 -0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 126 102.592 -2.483 -0.747 1.00 0.00 H new ATOM 2015 N ILE A 127 109.974 -6.254 -5.216 1.00 0.00 N ATOM 2016 CA ILE A 127 111.022 -5.836 -6.192 1.00 0.00 C ATOM 2017 C ILE A 127 110.378 -5.187 -7.419 1.00 0.00 C ATOM 2018 O ILE A 127 109.560 -5.782 -8.091 1.00 0.00 O ATOM 2019 CB ILE A 127 111.815 -7.064 -6.633 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.372 -7.785 -5.401 1.00 0.00 C ATOM 2021 CG2 ILE A 127 112.969 -6.629 -7.534 1.00 0.00 C ATOM 2022 CD1 ILE A 127 112.521 -9.276 -5.705 1.00 0.00 C ATOM 0 H ILE A 127 109.395 -7.041 -5.508 1.00 0.00 H new ATOM 0 HA ILE A 127 111.683 -5.113 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 127 111.160 -7.740 -7.183 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.337 -7.361 -5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.706 -7.641 -4.551 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.535 -7.506 -7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.573 -6.118 -8.412 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.624 -5.952 -6.985 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.917 -9.788 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 127 111.547 -9.694 -5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 127 113.205 -9.410 -6.543 1.00 0.00 H new ATOM 2034 N PHE A 128 110.751 -3.970 -7.715 1.00 0.00 N ATOM 2035 CA PHE A 128 110.173 -3.275 -8.902 1.00 0.00 C ATOM 2036 C PHE A 128 111.207 -3.186 -10.023 1.00 0.00 C ATOM 2037 O PHE A 128 112.345 -3.586 -9.877 1.00 0.00 O ATOM 2038 CB PHE A 128 109.747 -1.843 -8.539 1.00 0.00 C ATOM 2039 CG PHE A 128 109.027 -1.813 -7.215 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.345 -2.940 -6.785 1.00 0.00 C ATOM 2041 CD2 PHE A 128 109.023 -0.650 -6.435 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.649 -2.926 -5.572 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.334 -0.630 -5.216 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.644 -1.770 -4.784 1.00 0.00 C ATOM 0 H PHE A 128 111.432 -3.427 -7.185 1.00 0.00 H new ATOM 0 HA PHE A 128 109.307 -3.851 -9.230 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.625 -1.199 -8.494 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.098 -1.444 -9.319 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.351 -3.835 -7.390 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.550 0.230 -6.773 1.00 0.00 H new ATOM 0 HE1 PHE A 128 107.116 -3.806 -5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 128 108.335 0.264 -4.609 1.00 0.00 H new ATOM 0 HZ PHE A 128 107.110 -1.757 -3.845 1.00 0.00 H new ATOM 2054 N LYS A 129 110.804 -2.648 -11.142 1.00 0.00 N ATOM 2055 CA LYS A 129 111.727 -2.498 -12.298 1.00 0.00 C ATOM 2056 C LYS A 129 111.257 -1.308 -13.141 1.00 0.00 C ATOM 2057 O LYS A 129 110.148 -0.834 -12.990 1.00 0.00 O ATOM 2058 CB LYS A 129 111.699 -3.774 -13.142 1.00 0.00 C ATOM 2059 CG LYS A 129 112.885 -3.774 -14.110 1.00 0.00 C ATOM 2060 CD LYS A 129 112.867 -5.061 -14.938 1.00 0.00 C ATOM 2061 CE LYS A 129 113.166 -6.258 -14.032 1.00 0.00 C ATOM 2062 NZ LYS A 129 113.733 -7.369 -14.850 1.00 0.00 N ATOM 0 H LYS A 129 109.859 -2.301 -11.304 1.00 0.00 H new ATOM 0 HA LYS A 129 112.745 -2.328 -11.949 1.00 0.00 H new ATOM 0 HB2 LYS A 129 111.744 -4.651 -12.496 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.763 -3.835 -13.697 1.00 0.00 H new ATOM 0 HG2 LYS A 129 112.832 -2.906 -14.767 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.821 -3.698 -13.556 1.00 0.00 H new ATOM 0 HD2 LYS A 129 111.894 -5.186 -15.414 1.00 0.00 H new ATOM 0 HD3 LYS A 129 113.607 -5.002 -15.736 1.00 0.00 H new ATOM 0 HE2 LYS A 129 113.870 -5.970 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 129 112.254 -6.587 -13.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 113.937 -8.183 -14.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 113.046 -7.649 -15.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 114.612 -7.051 -15.306 1.00 0.00 H new ATOM 2076 N LYS A 130 112.082 -0.819 -14.021 1.00 0.00 N ATOM 2077 CA LYS A 130 111.667 0.343 -14.861 1.00 0.00 C ATOM 2078 C LYS A 130 110.269 0.088 -15.429 1.00 0.00 C ATOM 2079 O LYS A 130 109.950 -1.005 -15.850 1.00 0.00 O ATOM 2080 CB LYS A 130 112.657 0.520 -16.015 1.00 0.00 C ATOM 2081 CG LYS A 130 112.445 -0.591 -17.046 1.00 0.00 C ATOM 2082 CD LYS A 130 113.633 -0.629 -18.008 1.00 0.00 C ATOM 2083 CE LYS A 130 113.382 -1.686 -19.086 1.00 0.00 C ATOM 2084 NZ LYS A 130 112.030 -1.480 -19.678 1.00 0.00 N ATOM 0 H LYS A 130 113.023 -1.170 -14.197 1.00 0.00 H new ATOM 0 HA LYS A 130 111.655 1.245 -14.249 1.00 0.00 H new ATOM 0 HB2 LYS A 130 112.517 1.495 -16.482 1.00 0.00 H new ATOM 0 HB3 LYS A 130 113.679 0.491 -15.638 1.00 0.00 H new ATOM 0 HG2 LYS A 130 112.340 -1.553 -16.543 1.00 0.00 H new ATOM 0 HG3 LYS A 130 111.522 -0.417 -17.599 1.00 0.00 H new ATOM 0 HD2 LYS A 130 113.774 0.349 -18.468 1.00 0.00 H new ATOM 0 HD3 LYS A 130 114.549 -0.860 -17.463 1.00 0.00 H new ATOM 0 HE2 LYS A 130 114.145 -1.618 -19.862 1.00 0.00 H new ATOM 0 HE3 LYS A 130 113.454 -2.685 -18.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 111.988 -1.933 -20.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 111.311 -1.901 -19.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 111.847 -0.461 -19.779 1.00 0.00 H new ATOM 2098 N ASP A 131 109.431 1.091 -15.443 1.00 0.00 N ATOM 2099 CA ASP A 131 108.054 0.904 -15.983 1.00 0.00 C ATOM 2100 C ASP A 131 108.116 0.052 -17.253 1.00 0.00 C ATOM 2101 O ASP A 131 109.151 0.062 -17.900 1.00 0.00 O ATOM 2102 CB ASP A 131 107.446 2.269 -16.313 1.00 0.00 C ATOM 2103 CG ASP A 131 108.089 2.822 -17.585 1.00 0.00 C ATOM 2104 OD1 ASP A 131 109.247 3.202 -17.524 1.00 0.00 O ATOM 2105 OD2 ASP A 131 107.412 2.857 -18.600 1.00 0.00 O ATOM 0 H ASP A 131 109.641 2.030 -15.104 1.00 0.00 H new ATOM 0 HA ASP A 131 107.436 0.402 -15.238 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.369 2.175 -16.449 1.00 0.00 H new ATOM 0 HB3 ASP A 131 107.604 2.959 -15.484 1.00 0.00 H new TER 2110 ASP A 131