USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 799 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 14 SER OG : rot 180:sc= -0.956 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.96,f=-2.1!) USER MOD Single : A 1 MET CE :methyl 128:sc= -0.159 (180deg=-1.09) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A -1 GLY N :NH3+ 170:sc= 0 (180deg=-0.0868) USER MOD Single : A 11 CYS SG : rot -167:sc= -6.84! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.158 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.18) USER MOD Single : A 32 SER OG : rot 180:sc= -0.5 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 44 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.9) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc=-0.000491 K(o=-0.00049,f=-1.3) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= -0.0578 (180deg=-0.781) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.488 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -135:sc=-0.00215 (180deg=-0.449) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0624 K(o=-0.062,f=-1.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.871 X(o=-0.87,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 96.232 5.315 -10.558 1.00 0.00 N ATOM 2 CA GLY A -1 94.907 5.806 -10.083 1.00 0.00 C ATOM 3 C GLY A -1 95.112 6.932 -9.068 1.00 0.00 C ATOM 4 O GLY A -1 94.414 7.013 -8.073 1.00 0.00 O ATOM 0 H1 GLY A -1 96.101 4.445 -11.113 1.00 0.00 H new ATOM 0 H2 GLY A -1 96.678 6.042 -11.153 1.00 0.00 H new ATOM 0 H3 GLY A -1 96.842 5.115 -9.740 1.00 0.00 H new ATOM 0 HA2 GLY A -1 94.317 6.166 -10.926 1.00 0.00 H new ATOM 0 HA3 GLY A -1 94.347 4.989 -9.627 1.00 0.00 H new ATOM 10 N ALA A 0 96.065 7.797 -9.317 1.00 0.00 N ATOM 11 CA ALA A 0 96.331 8.924 -8.366 1.00 0.00 C ATOM 12 C ALA A 0 95.103 9.833 -8.266 1.00 0.00 C ATOM 13 O ALA A 0 94.822 10.394 -7.223 1.00 0.00 O ATOM 14 CB ALA A 0 97.516 9.689 -8.960 1.00 0.00 C ATOM 0 H ALA A 0 96.671 7.772 -10.137 1.00 0.00 H new ATOM 0 HA ALA A 0 96.547 8.565 -7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 0 97.766 10.530 -8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 0 98.376 9.024 -9.039 1.00 0.00 H new ATOM 0 HB3 ALA A 0 97.251 10.058 -9.951 1.00 0.00 H new ATOM 20 N MET A 1 94.375 9.979 -9.346 1.00 0.00 N ATOM 21 CA MET A 1 93.165 10.858 -9.332 1.00 0.00 C ATOM 22 C MET A 1 91.975 10.107 -8.727 1.00 0.00 C ATOM 23 O MET A 1 91.191 10.669 -7.984 1.00 0.00 O ATOM 24 CB MET A 1 92.900 11.202 -10.798 1.00 0.00 C ATOM 25 CG MET A 1 94.059 12.037 -11.346 1.00 0.00 C ATOM 26 SD MET A 1 93.659 12.597 -13.020 1.00 0.00 S ATOM 27 CE MET A 1 92.404 13.816 -12.557 1.00 0.00 C ATOM 0 H MET A 1 94.568 9.526 -10.239 1.00 0.00 H new ATOM 0 HA MET A 1 93.313 11.754 -8.730 1.00 0.00 H new ATOM 0 HB2 MET A 1 92.788 10.288 -11.382 1.00 0.00 H new ATOM 0 HB3 MET A 1 91.965 11.755 -10.889 1.00 0.00 H new ATOM 0 HG2 MET A 1 94.242 12.894 -10.698 1.00 0.00 H new ATOM 0 HG3 MET A 1 94.974 11.445 -11.358 1.00 0.00 H new ATOM 0 HE1 MET A 1 92.639 14.774 -13.020 1.00 0.00 H new ATOM 0 HE2 MET A 1 91.425 13.478 -12.898 1.00 0.00 H new ATOM 0 HE3 MET A 1 92.391 13.931 -11.473 1.00 0.00 H new ATOM 37 N GLY A 2 91.838 8.842 -9.044 1.00 0.00 N ATOM 38 CA GLY A 2 90.706 8.041 -8.491 1.00 0.00 C ATOM 39 C GLY A 2 91.024 6.541 -8.616 1.00 0.00 C ATOM 40 O GLY A 2 91.738 6.146 -9.517 1.00 0.00 O ATOM 0 H GLY A 2 92.465 8.330 -9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 2 90.540 8.302 -7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 2 89.786 8.274 -9.028 1.00 0.00 H new ATOM 44 N PRO A 3 90.490 5.738 -7.711 1.00 0.00 N ATOM 45 CA PRO A 3 90.716 4.272 -7.792 1.00 0.00 C ATOM 46 C PRO A 3 90.016 3.693 -9.025 1.00 0.00 C ATOM 47 O PRO A 3 88.900 3.214 -8.946 1.00 0.00 O ATOM 48 CB PRO A 3 90.091 3.724 -6.509 1.00 0.00 C ATOM 49 CG PRO A 3 89.136 4.779 -6.047 1.00 0.00 C ATOM 50 CD PRO A 3 89.647 6.099 -6.555 1.00 0.00 C ATOM 0 HA PRO A 3 91.771 4.013 -7.884 1.00 0.00 H new ATOM 0 HB2 PRO A 3 89.575 2.782 -6.695 1.00 0.00 H new ATOM 0 HB3 PRO A 3 90.853 3.527 -5.755 1.00 0.00 H new ATOM 0 HG2 PRO A 3 88.134 4.583 -6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 3 89.068 4.786 -4.959 1.00 0.00 H new ATOM 0 HD2 PRO A 3 88.829 6.757 -6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 3 90.221 6.625 -5.792 1.00 0.00 H new ATOM 58 N THR A 4 90.668 3.733 -10.162 1.00 0.00 N ATOM 59 CA THR A 4 90.045 3.199 -11.415 1.00 0.00 C ATOM 60 C THR A 4 90.464 1.740 -11.674 1.00 0.00 C ATOM 61 O THR A 4 90.169 1.193 -12.721 1.00 0.00 O ATOM 62 CB THR A 4 90.570 4.105 -12.532 1.00 0.00 C ATOM 63 OG1 THR A 4 91.989 4.045 -12.560 1.00 0.00 O ATOM 64 CG2 THR A 4 90.120 5.547 -12.284 1.00 0.00 C ATOM 0 H THR A 4 91.607 4.113 -10.277 1.00 0.00 H new ATOM 0 HA THR A 4 88.957 3.198 -11.350 1.00 0.00 H new ATOM 0 HB THR A 4 90.173 3.767 -13.489 1.00 0.00 H new ATOM 0 HG1 THR A 4 92.327 4.623 -13.276 1.00 0.00 H new ATOM 0 HG21 THR A 4 90.496 6.188 -13.082 1.00 0.00 H new ATOM 0 HG22 THR A 4 89.031 5.590 -12.267 1.00 0.00 H new ATOM 0 HG23 THR A 4 90.512 5.891 -11.327 1.00 0.00 H new ATOM 72 N ASP A 5 91.143 1.106 -10.739 1.00 0.00 N ATOM 73 CA ASP A 5 91.615 -0.296 -10.969 1.00 0.00 C ATOM 74 C ASP A 5 90.462 -1.286 -10.778 1.00 0.00 C ATOM 75 O ASP A 5 89.639 -1.128 -9.896 1.00 0.00 O ATOM 76 CB ASP A 5 92.703 -0.533 -9.916 1.00 0.00 C ATOM 77 CG ASP A 5 93.879 0.422 -10.158 1.00 0.00 C ATOM 78 OD1 ASP A 5 94.102 0.788 -11.302 1.00 0.00 O ATOM 79 OD2 ASP A 5 94.537 0.771 -9.192 1.00 0.00 O ATOM 0 H ASP A 5 91.388 1.501 -9.831 1.00 0.00 H new ATOM 0 HA ASP A 5 91.991 -0.438 -11.982 1.00 0.00 H new ATOM 0 HB2 ASP A 5 92.295 -0.376 -8.917 1.00 0.00 H new ATOM 0 HB3 ASP A 5 93.047 -1.566 -9.962 1.00 0.00 H new ATOM 84 N GLN A 6 90.401 -2.304 -11.604 1.00 0.00 N ATOM 85 CA GLN A 6 89.348 -3.359 -11.433 1.00 0.00 C ATOM 86 C GLN A 6 89.629 -4.257 -10.218 1.00 0.00 C ATOM 87 O GLN A 6 88.832 -5.115 -9.885 1.00 0.00 O ATOM 88 CB GLN A 6 89.388 -4.182 -12.724 1.00 0.00 C ATOM 89 CG GLN A 6 89.005 -3.292 -13.909 1.00 0.00 C ATOM 90 CD GLN A 6 89.092 -4.098 -15.208 1.00 0.00 C ATOM 91 OE1 GLN A 6 89.785 -5.094 -15.277 1.00 0.00 O ATOM 92 NE2 GLN A 6 88.412 -3.705 -16.251 1.00 0.00 N ATOM 0 H GLN A 6 91.035 -2.451 -12.390 1.00 0.00 H new ATOM 0 HA GLN A 6 88.371 -2.910 -11.255 1.00 0.00 H new ATOM 0 HB2 GLN A 6 90.385 -4.595 -12.873 1.00 0.00 H new ATOM 0 HB3 GLN A 6 88.701 -5.025 -12.652 1.00 0.00 H new ATOM 0 HG2 GLN A 6 87.994 -2.907 -13.775 1.00 0.00 H new ATOM 0 HG3 GLN A 6 89.670 -2.430 -13.959 1.00 0.00 H new ATOM 0 HE21 GLN A 6 87.830 -2.869 -16.195 1.00 0.00 H new ATOM 0 HE22 GLN A 6 88.463 -4.234 -17.122 1.00 0.00 H new ATOM 101 N ASP A 7 90.746 -4.071 -9.558 1.00 0.00 N ATOM 102 CA ASP A 7 91.039 -4.866 -8.322 1.00 0.00 C ATOM 103 C ASP A 7 90.080 -4.462 -7.195 1.00 0.00 C ATOM 104 O ASP A 7 89.815 -5.239 -6.296 1.00 0.00 O ATOM 105 CB ASP A 7 92.485 -4.530 -7.946 1.00 0.00 C ATOM 106 CG ASP A 7 93.422 -4.977 -9.070 1.00 0.00 C ATOM 107 OD1 ASP A 7 93.875 -6.108 -9.021 1.00 0.00 O ATOM 108 OD2 ASP A 7 93.671 -4.179 -9.958 1.00 0.00 O ATOM 0 H ASP A 7 91.469 -3.402 -9.822 1.00 0.00 H new ATOM 0 HA ASP A 7 90.909 -5.936 -8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.588 -3.458 -7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.755 -5.027 -7.014 1.00 0.00 H new ATOM 113 N TRP A 8 89.562 -3.255 -7.238 1.00 0.00 N ATOM 114 CA TRP A 8 88.648 -2.786 -6.151 1.00 0.00 C ATOM 115 C TRP A 8 87.252 -3.404 -6.289 1.00 0.00 C ATOM 116 O TRP A 8 86.464 -3.342 -5.368 1.00 0.00 O ATOM 117 CB TRP A 8 88.569 -1.268 -6.292 1.00 0.00 C ATOM 118 CG TRP A 8 89.658 -0.540 -5.572 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.346 0.509 -6.080 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.195 -0.779 -4.234 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.277 0.941 -5.150 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.239 0.189 -3.995 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.896 -1.733 -3.193 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.968 0.215 -2.768 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.628 -1.710 -1.955 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.662 -0.739 -1.745 1.00 0.00 C ATOM 0 H TRP A 8 89.734 -2.576 -7.980 1.00 0.00 H new ATOM 0 HA TRP A 8 89.026 -3.085 -5.173 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.608 -1.008 -7.350 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.605 -0.927 -5.915 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.193 0.942 -7.058 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.915 1.722 -5.302 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.119 -2.468 -3.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.745 0.949 -2.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.398 -2.427 -1.181 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.210 -0.727 -0.815 1.00 0.00 H new ATOM 137 N ILE A 9 86.928 -4.003 -7.417 1.00 0.00 N ATOM 138 CA ILE A 9 85.519 -4.485 -7.631 1.00 0.00 C ATOM 139 C ILE A 9 85.106 -5.435 -6.492 1.00 0.00 C ATOM 140 O ILE A 9 85.821 -6.357 -6.148 1.00 0.00 O ATOM 141 CB ILE A 9 85.527 -5.216 -8.989 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.938 -4.252 -10.121 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.128 -5.772 -9.289 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.986 -3.049 -10.180 1.00 0.00 C ATOM 0 H ILE A 9 87.570 -4.177 -8.190 1.00 0.00 H new ATOM 0 HA ILE A 9 84.802 -3.664 -7.633 1.00 0.00 H new ATOM 0 HB ILE A 9 86.247 -6.032 -8.935 1.00 0.00 H new ATOM 0 HG12 ILE A 9 86.959 -3.907 -9.959 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.927 -4.778 -11.076 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.140 -6.287 -10.249 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.839 -6.472 -8.505 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.411 -4.952 -9.326 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.293 -2.381 -10.985 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.970 -3.398 -10.366 1.00 0.00 H new ATOM 0 HD13 ILE A 9 85.018 -2.513 -9.232 1.00 0.00 H new ATOM 156 N GLY A 10 83.953 -5.203 -5.916 1.00 0.00 N ATOM 157 CA GLY A 10 83.500 -6.023 -4.754 1.00 0.00 C ATOM 158 C GLY A 10 84.066 -5.496 -3.422 1.00 0.00 C ATOM 159 O GLY A 10 83.776 -6.054 -2.379 1.00 0.00 O ATOM 0 H GLY A 10 83.301 -4.473 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.411 -6.021 -4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.812 -7.058 -4.897 1.00 0.00 H new ATOM 163 N CYS A 11 84.864 -4.440 -3.432 1.00 0.00 N ATOM 164 CA CYS A 11 85.365 -3.877 -2.129 1.00 0.00 C ATOM 165 C CYS A 11 84.318 -2.923 -1.520 1.00 0.00 C ATOM 166 O CYS A 11 83.502 -2.362 -2.225 1.00 0.00 O ATOM 167 CB CYS A 11 86.725 -3.188 -2.445 1.00 0.00 C ATOM 168 SG CYS A 11 86.543 -1.506 -3.130 1.00 0.00 S ATOM 0 H CYS A 11 85.183 -3.954 -4.270 1.00 0.00 H new ATOM 0 HA CYS A 11 85.520 -4.648 -1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.319 -3.138 -1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.279 -3.803 -3.154 1.00 0.00 H new ATOM 0 HG CYS A 11 87.682 -1.110 -3.617 1.00 0.00 H new ATOM 174 N ALA A 12 84.345 -2.744 -0.222 1.00 0.00 N ATOM 175 CA ALA A 12 83.303 -1.905 0.449 1.00 0.00 C ATOM 176 C ALA A 12 83.762 -0.447 0.525 1.00 0.00 C ATOM 177 O ALA A 12 84.780 -0.150 1.123 1.00 0.00 O ATOM 178 CB ALA A 12 83.170 -2.498 1.853 1.00 0.00 C ATOM 0 H ALA A 12 85.045 -3.143 0.403 1.00 0.00 H new ATOM 0 HA ALA A 12 82.356 -1.910 -0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.422 -1.938 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 12 82.863 -3.541 1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.130 -2.437 2.366 1.00 0.00 H new ATOM 184 N VAL A 13 83.020 0.459 -0.069 1.00 0.00 N ATOM 185 CA VAL A 13 83.432 1.898 -0.054 1.00 0.00 C ATOM 186 C VAL A 13 82.233 2.801 0.257 1.00 0.00 C ATOM 187 O VAL A 13 81.090 2.406 0.103 1.00 0.00 O ATOM 188 CB VAL A 13 83.985 2.179 -1.457 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.188 1.273 -1.722 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.905 1.909 -2.512 1.00 0.00 C ATOM 0 H VAL A 13 82.149 0.264 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 13 84.176 2.100 0.717 1.00 0.00 H new ATOM 0 HB VAL A 13 84.290 3.224 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.581 1.472 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.962 1.470 -0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.879 0.230 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.307 2.111 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.591 0.867 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.048 2.557 -2.329 1.00 0.00 H new ATOM 200 N SER A 14 82.495 4.010 0.690 1.00 0.00 N ATOM 201 CA SER A 14 81.394 4.978 0.959 1.00 0.00 C ATOM 202 C SER A 14 81.636 6.260 0.169 1.00 0.00 C ATOM 203 O SER A 14 82.755 6.729 0.070 1.00 0.00 O ATOM 204 CB SER A 14 81.456 5.249 2.462 1.00 0.00 C ATOM 205 OG SER A 14 80.546 6.289 2.791 1.00 0.00 O ATOM 0 H SER A 14 83.433 4.368 0.869 1.00 0.00 H new ATOM 0 HA SER A 14 80.418 4.595 0.662 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.207 4.344 3.017 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.468 5.532 2.750 1.00 0.00 H new ATOM 0 HG SER A 14 80.583 6.463 3.755 1.00 0.00 H new ATOM 211 N ILE A 15 80.598 6.826 -0.394 1.00 0.00 N ATOM 212 CA ILE A 15 80.778 8.021 -1.273 1.00 0.00 C ATOM 213 C ILE A 15 80.012 9.208 -0.693 1.00 0.00 C ATOM 214 O ILE A 15 78.809 9.149 -0.513 1.00 0.00 O ATOM 215 CB ILE A 15 80.192 7.641 -2.650 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.701 6.260 -3.131 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.603 8.702 -3.674 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.233 6.199 -3.101 1.00 0.00 C ATOM 0 H ILE A 15 79.634 6.512 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 15 81.828 8.302 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 15 79.108 7.588 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.290 5.475 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.346 6.070 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.194 8.443 -4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.218 9.674 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.690 8.746 -3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.565 5.219 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.641 6.969 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.584 6.366 -2.083 1.00 0.00 H new ATOM 230 N ALA A 16 80.703 10.281 -0.403 1.00 0.00 N ATOM 231 CA ALA A 16 80.024 11.503 0.115 1.00 0.00 C ATOM 232 C ALA A 16 79.835 12.506 -1.022 1.00 0.00 C ATOM 233 O ALA A 16 80.790 13.065 -1.531 1.00 0.00 O ATOM 234 CB ALA A 16 80.970 12.064 1.177 1.00 0.00 C ATOM 0 H ALA A 16 81.715 10.362 -0.504 1.00 0.00 H new ATOM 0 HA ALA A 16 79.037 11.292 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.539 12.968 1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.116 11.322 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.930 12.302 0.720 1.00 0.00 H new ATOM 240 N CYS A 17 78.612 12.729 -1.425 1.00 0.00 N ATOM 241 CA CYS A 17 78.327 13.758 -2.470 1.00 0.00 C ATOM 242 C CYS A 17 77.947 15.074 -1.792 1.00 0.00 C ATOM 243 O CYS A 17 77.678 15.107 -0.604 1.00 0.00 O ATOM 244 CB CYS A 17 77.146 13.221 -3.288 1.00 0.00 C ATOM 245 SG CYS A 17 77.547 11.598 -3.993 1.00 0.00 S ATOM 0 H CYS A 17 77.790 12.238 -1.072 1.00 0.00 H new ATOM 0 HA CYS A 17 79.192 13.944 -3.107 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.263 13.140 -2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.901 13.921 -4.087 1.00 0.00 H new ATOM 0 HG CYS A 17 76.533 11.161 -4.679 1.00 0.00 H new ATOM 251 N ASP A 18 77.920 16.157 -2.531 1.00 0.00 N ATOM 252 CA ASP A 18 77.590 17.486 -1.916 1.00 0.00 C ATOM 253 C ASP A 18 76.199 17.432 -1.267 1.00 0.00 C ATOM 254 O ASP A 18 75.446 16.499 -1.471 1.00 0.00 O ATOM 255 CB ASP A 18 77.623 18.498 -3.066 1.00 0.00 C ATOM 256 CG ASP A 18 79.037 18.577 -3.650 1.00 0.00 C ATOM 257 OD1 ASP A 18 79.982 18.355 -2.910 1.00 0.00 O ATOM 258 OD2 ASP A 18 79.150 18.859 -4.833 1.00 0.00 O ATOM 0 H ASP A 18 78.112 16.180 -3.533 1.00 0.00 H new ATOM 0 HA ASP A 18 78.296 17.762 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 18 76.916 18.204 -3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 18 77.313 19.479 -2.707 1.00 0.00 H new ATOM 263 N GLU A 19 75.860 18.428 -0.488 1.00 0.00 N ATOM 264 CA GLU A 19 74.688 18.306 0.444 1.00 0.00 C ATOM 265 C GLU A 19 73.408 17.902 -0.300 1.00 0.00 C ATOM 266 O GLU A 19 72.579 17.187 0.235 1.00 0.00 O ATOM 267 CB GLU A 19 74.519 19.696 1.063 1.00 0.00 C ATOM 268 CG GLU A 19 75.743 20.028 1.925 1.00 0.00 C ATOM 269 CD GLU A 19 75.561 21.390 2.614 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.733 22.168 2.163 1.00 0.00 O ATOM 271 OE2 GLU A 19 76.259 21.631 3.585 1.00 0.00 O ATOM 0 H GLU A 19 76.344 19.325 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 19 74.863 17.532 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.401 20.443 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.615 19.727 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.889 19.251 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.639 20.044 1.304 1.00 0.00 H new ATOM 278 N VAL A 20 73.242 18.348 -1.521 1.00 0.00 N ATOM 279 CA VAL A 20 71.978 18.047 -2.268 1.00 0.00 C ATOM 280 C VAL A 20 71.971 16.581 -2.732 1.00 0.00 C ATOM 281 O VAL A 20 70.923 15.995 -2.934 1.00 0.00 O ATOM 282 CB VAL A 20 71.976 19.005 -3.467 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.722 18.778 -4.316 1.00 0.00 C ATOM 284 CG2 VAL A 20 71.991 20.451 -2.966 1.00 0.00 C ATOM 0 H VAL A 20 73.925 18.907 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 20 71.091 18.183 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 20 72.861 18.816 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.729 19.462 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.709 17.750 -4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.834 18.960 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 20 71.990 21.131 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 20 71.107 20.633 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.887 20.620 -2.368 1.00 0.00 H new ATOM 294 N LEU A 21 73.131 15.991 -2.902 1.00 0.00 N ATOM 295 CA LEU A 21 73.203 14.568 -3.353 1.00 0.00 C ATOM 296 C LEU A 21 73.220 13.596 -2.160 1.00 0.00 C ATOM 297 O LEU A 21 73.011 12.409 -2.326 1.00 0.00 O ATOM 298 CB LEU A 21 74.514 14.491 -4.128 1.00 0.00 C ATOM 299 CG LEU A 21 74.411 15.333 -5.401 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.771 15.364 -6.101 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.373 14.716 -6.341 1.00 0.00 C ATOM 0 H LEU A 21 74.034 16.438 -2.746 1.00 0.00 H new ATOM 0 HA LEU A 21 72.337 14.284 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.336 14.850 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.737 13.455 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 21 74.109 16.347 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.700 15.964 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.514 15.802 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 21 76.070 14.348 -6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.300 15.317 -7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.675 13.702 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.403 14.690 -5.845 1.00 0.00 H new ATOM 313 N GLY A 22 73.467 14.086 -0.964 1.00 0.00 N ATOM 314 CA GLY A 22 73.490 13.191 0.235 1.00 0.00 C ATOM 315 C GLY A 22 74.645 12.191 0.131 1.00 0.00 C ATOM 316 O GLY A 22 75.621 12.420 -0.562 1.00 0.00 O ATOM 0 H GLY A 22 73.654 15.070 -0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.598 13.788 1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.544 12.656 0.316 1.00 0.00 H new ATOM 320 N VAL A 23 74.540 11.081 0.821 1.00 0.00 N ATOM 321 CA VAL A 23 75.666 10.092 0.847 1.00 0.00 C ATOM 322 C VAL A 23 75.129 8.680 0.608 1.00 0.00 C ATOM 323 O VAL A 23 74.068 8.327 1.094 1.00 0.00 O ATOM 324 CB VAL A 23 76.277 10.189 2.252 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.497 9.267 2.345 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.709 11.630 2.540 1.00 0.00 C ATOM 0 H VAL A 23 73.722 10.816 1.369 1.00 0.00 H new ATOM 0 HA VAL A 23 76.403 10.301 0.071 1.00 0.00 H new ATOM 0 HB VAL A 23 75.529 9.886 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.930 9.336 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.191 8.239 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.239 9.569 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.141 11.688 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.452 11.941 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.842 12.288 2.481 1.00 0.00 H new ATOM 336 N PHE A 24 75.854 7.873 -0.131 1.00 0.00 N ATOM 337 CA PHE A 24 75.442 6.447 -0.307 1.00 0.00 C ATOM 338 C PHE A 24 76.631 5.518 -0.049 1.00 0.00 C ATOM 339 O PHE A 24 77.773 5.909 -0.175 1.00 0.00 O ATOM 340 CB PHE A 24 74.958 6.315 -1.757 1.00 0.00 C ATOM 341 CG PHE A 24 76.036 6.530 -2.798 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.818 5.416 -3.255 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.289 7.844 -3.323 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.846 5.614 -4.238 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.318 8.036 -4.302 1.00 0.00 C ATOM 346 CZ PHE A 24 78.094 6.924 -4.759 1.00 0.00 C ATOM 0 H PHE A 24 76.710 8.141 -0.617 1.00 0.00 H new ATOM 0 HA PHE A 24 74.656 6.169 0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.529 5.322 -1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.157 7.035 -1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.633 4.428 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.705 8.685 -2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.432 4.775 -4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.508 9.023 -4.696 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.868 7.073 -5.498 1.00 0.00 H new ATOM 356 N GLN A 25 76.359 4.292 0.313 1.00 0.00 N ATOM 357 CA GLN A 25 77.454 3.306 0.563 1.00 0.00 C ATOM 358 C GLN A 25 77.077 1.957 -0.050 1.00 0.00 C ATOM 359 O GLN A 25 75.913 1.602 -0.108 1.00 0.00 O ATOM 360 CB GLN A 25 77.556 3.204 2.087 1.00 0.00 C ATOM 361 CG GLN A 25 77.932 4.575 2.664 1.00 0.00 C ATOM 362 CD GLN A 25 78.012 4.505 4.194 1.00 0.00 C ATOM 363 OE1 GLN A 25 77.783 3.468 4.789 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.326 5.581 4.863 1.00 0.00 N ATOM 0 H GLN A 25 75.416 3.927 0.448 1.00 0.00 H new ATOM 0 HA GLN A 25 78.403 3.607 0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.607 2.869 2.505 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.305 2.462 2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 25 78.890 4.898 2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.193 5.318 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.519 6.452 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.379 5.551 5.881 1.00 0.00 H new ATOM 373 N GLY A 26 78.050 1.208 -0.507 1.00 0.00 N ATOM 374 CA GLY A 26 77.745 -0.083 -1.196 1.00 0.00 C ATOM 375 C GLY A 26 79.046 -0.804 -1.548 1.00 0.00 C ATOM 376 O GLY A 26 80.125 -0.248 -1.438 1.00 0.00 O ATOM 0 H GLY A 26 79.042 1.435 -0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.132 -0.713 -0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.167 0.105 -2.101 1.00 0.00 H new ATOM 380 N LEU A 27 78.949 -2.042 -1.965 1.00 0.00 N ATOM 381 CA LEU A 27 80.146 -2.752 -2.504 1.00 0.00 C ATOM 382 C LEU A 27 80.247 -2.521 -4.013 1.00 0.00 C ATOM 383 O LEU A 27 79.271 -2.619 -4.734 1.00 0.00 O ATOM 384 CB LEU A 27 79.906 -4.231 -2.200 1.00 0.00 C ATOM 385 CG LEU A 27 79.939 -4.455 -0.688 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.371 -5.839 -0.364 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.388 -4.371 -0.191 1.00 0.00 C ATOM 0 H LEU A 27 78.090 -2.591 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 27 81.076 -2.397 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.943 -4.544 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.668 -4.841 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 27 79.339 -3.690 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.395 -5.999 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.342 -5.902 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 27 79.972 -6.603 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.413 -4.531 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 27 81.987 -5.136 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.795 -3.387 -0.421 1.00 0.00 H new ATOM 399 N ILE A 28 81.426 -2.216 -4.486 1.00 0.00 N ATOM 400 CA ILE A 28 81.599 -1.851 -5.928 1.00 0.00 C ATOM 401 C ILE A 28 81.282 -3.049 -6.829 1.00 0.00 C ATOM 402 O ILE A 28 81.673 -4.167 -6.558 1.00 0.00 O ATOM 403 CB ILE A 28 83.073 -1.428 -6.062 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.325 -0.205 -5.168 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.407 -1.082 -7.524 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.811 0.164 -5.197 1.00 0.00 C ATOM 0 H ILE A 28 82.284 -2.203 -3.934 1.00 0.00 H new ATOM 0 HA ILE A 28 80.923 -1.052 -6.234 1.00 0.00 H new ATOM 0 HB ILE A 28 83.712 -2.255 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.725 0.638 -5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 28 83.015 -0.421 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.453 -0.785 -7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.232 -1.954 -8.154 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.773 -0.261 -7.858 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.983 1.032 -4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.402 -0.676 -4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 28 85.108 0.399 -6.219 1.00 0.00 H new ATOM 418 N LYS A 29 80.569 -2.806 -7.901 1.00 0.00 N ATOM 419 CA LYS A 29 80.333 -3.873 -8.916 1.00 0.00 C ATOM 420 C LYS A 29 81.106 -3.552 -10.199 1.00 0.00 C ATOM 421 O LYS A 29 81.472 -4.441 -10.947 1.00 0.00 O ATOM 422 CB LYS A 29 78.825 -3.851 -9.173 1.00 0.00 C ATOM 423 CG LYS A 29 78.444 -5.004 -10.103 1.00 0.00 C ATOM 424 CD LYS A 29 78.449 -6.317 -9.316 1.00 0.00 C ATOM 425 CE LYS A 29 77.944 -7.451 -10.211 1.00 0.00 C ATOM 426 NZ LYS A 29 79.163 -7.986 -10.878 1.00 0.00 N ATOM 0 H LYS A 29 80.138 -1.907 -8.116 1.00 0.00 H new ATOM 0 HA LYS A 29 80.670 -4.853 -8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.284 -3.937 -8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.536 -2.900 -9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 29 77.458 -4.829 -10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 29 79.147 -5.063 -10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 29 79.457 -6.538 -8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 29 77.816 -6.227 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 29 77.443 -8.222 -9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.222 -7.086 -10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 78.898 -8.769 -11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 79.615 -7.231 -11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 79.829 -8.333 -10.158 1.00 0.00 H new ATOM 440 N GLN A 30 81.356 -2.287 -10.459 1.00 0.00 N ATOM 441 CA GLN A 30 82.127 -1.903 -11.680 1.00 0.00 C ATOM 442 C GLN A 30 82.723 -0.506 -11.502 1.00 0.00 C ATOM 443 O GLN A 30 82.158 0.333 -10.826 1.00 0.00 O ATOM 444 CB GLN A 30 81.105 -1.916 -12.818 1.00 0.00 C ATOM 445 CG GLN A 30 81.820 -1.679 -14.150 1.00 0.00 C ATOM 446 CD GLN A 30 82.625 -2.924 -14.526 1.00 0.00 C ATOM 447 OE1 GLN A 30 82.084 -4.009 -14.611 1.00 0.00 O ATOM 448 NE2 GLN A 30 83.905 -2.815 -14.757 1.00 0.00 N ATOM 0 H GLN A 30 81.057 -1.506 -9.875 1.00 0.00 H new ATOM 0 HA GLN A 30 82.958 -2.581 -11.878 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.581 -2.872 -12.839 1.00 0.00 H new ATOM 0 HB3 GLN A 30 80.353 -1.144 -12.654 1.00 0.00 H new ATOM 0 HG2 GLN A 30 81.093 -1.454 -14.930 1.00 0.00 H new ATOM 0 HG3 GLN A 30 82.481 -0.816 -14.072 1.00 0.00 H new ATOM 0 HE21 GLN A 30 84.360 -1.905 -14.686 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.450 -3.640 -15.009 1.00 0.00 H new ATOM 457 N ILE A 31 83.860 -0.252 -12.105 1.00 0.00 N ATOM 458 CA ILE A 31 84.510 1.087 -11.959 1.00 0.00 C ATOM 459 C ILE A 31 85.071 1.543 -13.309 1.00 0.00 C ATOM 460 O ILE A 31 85.664 0.773 -14.040 1.00 0.00 O ATOM 461 CB ILE A 31 85.638 0.902 -10.930 1.00 0.00 C ATOM 462 CG1 ILE A 31 85.051 0.390 -9.606 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.341 2.248 -10.692 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.178 0.124 -8.601 1.00 0.00 C ATOM 0 H ILE A 31 84.365 -0.915 -12.692 1.00 0.00 H new ATOM 0 HA ILE A 31 83.804 1.849 -11.630 1.00 0.00 H new ATOM 0 HB ILE A 31 86.358 0.177 -11.310 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.355 1.124 -9.199 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.484 -0.525 -9.780 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.140 2.117 -9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.761 2.610 -11.630 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.620 2.973 -10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.753 -0.239 -7.665 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.857 -0.626 -9.006 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.726 1.048 -8.416 1.00 0.00 H new ATOM 476 N SER A 32 84.882 2.797 -13.635 1.00 0.00 N ATOM 477 CA SER A 32 85.476 3.359 -14.883 1.00 0.00 C ATOM 478 C SER A 32 85.851 4.823 -14.656 1.00 0.00 C ATOM 479 O SER A 32 85.319 5.476 -13.778 1.00 0.00 O ATOM 480 CB SER A 32 84.382 3.241 -15.942 1.00 0.00 C ATOM 481 OG SER A 32 83.294 4.085 -15.588 1.00 0.00 O ATOM 0 H SER A 32 84.337 3.460 -13.084 1.00 0.00 H new ATOM 0 HA SER A 32 86.382 2.834 -15.187 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.774 3.523 -16.919 1.00 0.00 H new ATOM 0 HB3 SER A 32 84.045 2.207 -16.020 1.00 0.00 H new ATOM 0 HG SER A 32 82.590 4.013 -16.266 1.00 0.00 H new ATOM 487 N ALA A 33 86.753 5.345 -15.446 1.00 0.00 N ATOM 488 CA ALA A 33 87.322 6.705 -15.162 1.00 0.00 C ATOM 489 C ALA A 33 86.213 7.763 -15.053 1.00 0.00 C ATOM 490 O ALA A 33 86.398 8.793 -14.427 1.00 0.00 O ATOM 491 CB ALA A 33 88.236 7.018 -16.350 1.00 0.00 C ATOM 0 H ALA A 33 87.124 4.889 -16.280 1.00 0.00 H new ATOM 0 HA ALA A 33 87.857 6.719 -14.212 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.689 8.000 -16.212 1.00 0.00 H new ATOM 0 HB2 ALA A 33 89.020 6.263 -16.415 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.651 7.014 -17.270 1.00 0.00 H new ATOM 497 N GLU A 34 85.071 7.522 -15.653 1.00 0.00 N ATOM 498 CA GLU A 34 84.004 8.571 -15.695 1.00 0.00 C ATOM 499 C GLU A 34 83.034 8.422 -14.514 1.00 0.00 C ATOM 500 O GLU A 34 82.418 9.385 -14.094 1.00 0.00 O ATOM 501 CB GLU A 34 83.278 8.347 -17.021 1.00 0.00 C ATOM 502 CG GLU A 34 84.249 8.584 -18.184 1.00 0.00 C ATOM 503 CD GLU A 34 83.521 8.432 -19.529 1.00 0.00 C ATOM 504 OE1 GLU A 34 82.459 7.826 -19.556 1.00 0.00 O ATOM 505 OE2 GLU A 34 84.043 8.927 -20.515 1.00 0.00 O ATOM 0 H GLU A 34 84.832 6.644 -16.115 1.00 0.00 H new ATOM 0 HA GLU A 34 84.423 9.575 -15.620 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.883 7.332 -17.064 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.427 9.024 -17.100 1.00 0.00 H new ATOM 0 HG2 GLU A 34 84.681 9.582 -18.108 1.00 0.00 H new ATOM 0 HG3 GLU A 34 85.074 7.874 -18.128 1.00 0.00 H new ATOM 512 N GLU A 35 82.892 7.231 -13.979 1.00 0.00 N ATOM 513 CA GLU A 35 81.845 6.996 -12.933 1.00 0.00 C ATOM 514 C GLU A 35 82.204 5.790 -12.054 1.00 0.00 C ATOM 515 O GLU A 35 82.977 4.934 -12.441 1.00 0.00 O ATOM 516 CB GLU A 35 80.548 6.741 -13.712 1.00 0.00 C ATOM 517 CG GLU A 35 80.712 5.521 -14.628 1.00 0.00 C ATOM 518 CD GLU A 35 79.465 5.346 -15.504 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.403 5.794 -15.100 1.00 0.00 O ATOM 520 OE2 GLU A 35 79.594 4.765 -16.569 1.00 0.00 O ATOM 0 H GLU A 35 83.454 6.415 -14.221 1.00 0.00 H new ATOM 0 HA GLU A 35 81.752 7.846 -12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.724 6.575 -13.017 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.293 7.619 -14.305 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.593 5.645 -15.257 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.873 4.625 -14.028 1.00 0.00 H new ATOM 527 N ILE A 36 81.644 5.726 -10.873 1.00 0.00 N ATOM 528 CA ILE A 36 81.793 4.504 -10.020 1.00 0.00 C ATOM 529 C ILE A 36 80.424 3.843 -9.829 1.00 0.00 C ATOM 530 O ILE A 36 79.430 4.523 -9.639 1.00 0.00 O ATOM 531 CB ILE A 36 82.340 5.006 -8.676 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.658 5.780 -8.880 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.585 3.815 -7.745 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.708 4.893 -9.568 1.00 0.00 C ATOM 0 H ILE A 36 81.086 6.472 -10.459 1.00 0.00 H new ATOM 0 HA ILE A 36 82.456 3.764 -10.468 1.00 0.00 H new ATOM 0 HB ILE A 36 81.606 5.678 -8.231 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.474 6.669 -9.483 1.00 0.00 H new ATOM 0 HG13 ILE A 36 84.038 6.121 -7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.973 4.173 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.648 3.284 -7.579 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.309 3.140 -8.201 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.630 5.458 -9.702 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.906 4.017 -8.950 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.333 4.573 -10.540 1.00 0.00 H new ATOM 546 N THR A 37 80.360 2.530 -9.879 1.00 0.00 N ATOM 547 CA THR A 37 79.040 1.836 -9.775 1.00 0.00 C ATOM 548 C THR A 37 79.071 0.790 -8.654 1.00 0.00 C ATOM 549 O THR A 37 79.984 -0.013 -8.575 1.00 0.00 O ATOM 550 CB THR A 37 78.847 1.156 -11.135 1.00 0.00 C ATOM 551 OG1 THR A 37 78.904 2.135 -12.162 1.00 0.00 O ATOM 552 CG2 THR A 37 77.491 0.445 -11.177 1.00 0.00 C ATOM 0 H THR A 37 81.165 1.913 -9.987 1.00 0.00 H new ATOM 0 HA THR A 37 78.230 2.526 -9.539 1.00 0.00 H new ATOM 0 HB THR A 37 79.638 0.421 -11.285 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.783 1.703 -13.033 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.362 -0.035 -12.147 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.451 -0.309 -10.390 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.694 1.172 -11.024 1.00 0.00 H new ATOM 560 N ILE A 38 78.080 0.794 -7.794 1.00 0.00 N ATOM 561 CA ILE A 38 78.017 -0.224 -6.698 1.00 0.00 C ATOM 562 C ILE A 38 76.601 -0.809 -6.598 1.00 0.00 C ATOM 563 O ILE A 38 75.673 -0.314 -7.207 1.00 0.00 O ATOM 564 CB ILE A 38 78.406 0.512 -5.402 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.403 1.645 -5.110 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.826 1.096 -5.523 1.00 0.00 C ATOM 567 CD1 ILE A 38 77.549 2.109 -3.654 1.00 0.00 C ATOM 0 H ILE A 38 77.309 1.462 -7.805 1.00 0.00 H new ATOM 0 HA ILE A 38 78.692 -1.059 -6.886 1.00 0.00 H new ATOM 0 HB ILE A 38 78.385 -0.204 -4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.578 2.481 -5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.386 1.297 -5.290 1.00 0.00 H new ATOM 0 HG21 ILE A 38 80.087 1.613 -4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.537 0.289 -5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.860 1.800 -6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.837 2.910 -3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.351 1.272 -2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.562 2.475 -3.489 1.00 0.00 H new ATOM 579 N VAL A 39 76.436 -1.855 -5.827 1.00 0.00 N ATOM 580 CA VAL A 39 75.109 -2.553 -5.757 1.00 0.00 C ATOM 581 C VAL A 39 74.606 -2.616 -4.311 1.00 0.00 C ATOM 582 O VAL A 39 75.358 -2.415 -3.378 1.00 0.00 O ATOM 583 CB VAL A 39 75.355 -3.958 -6.315 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.815 -3.848 -7.769 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.435 -4.671 -5.491 1.00 0.00 C ATOM 0 H VAL A 39 77.165 -2.259 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 39 74.343 -2.026 -6.326 1.00 0.00 H new ATOM 0 HB VAL A 39 74.430 -4.533 -6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.992 -4.846 -8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.044 -3.351 -8.358 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.738 -3.269 -7.816 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.602 -5.669 -5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.363 -4.101 -5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.108 -4.750 -4.454 1.00 0.00 H new ATOM 595 N ARG A 40 73.333 -2.890 -4.124 1.00 0.00 N ATOM 596 CA ARG A 40 72.714 -2.845 -2.752 1.00 0.00 C ATOM 597 C ARG A 40 72.873 -1.442 -2.164 1.00 0.00 C ATOM 598 O ARG A 40 73.581 -1.235 -1.197 1.00 0.00 O ATOM 599 CB ARG A 40 73.443 -3.890 -1.886 1.00 0.00 C ATOM 600 CG ARG A 40 73.409 -5.258 -2.577 1.00 0.00 C ATOM 601 CD ARG A 40 71.963 -5.753 -2.663 1.00 0.00 C ATOM 602 NE ARG A 40 72.054 -7.122 -3.265 1.00 0.00 N ATOM 603 CZ ARG A 40 71.087 -8.012 -3.121 1.00 0.00 C ATOM 604 NH1 ARG A 40 69.990 -7.747 -2.444 1.00 0.00 N ATOM 605 NH2 ARG A 40 71.224 -9.189 -3.668 1.00 0.00 N ATOM 0 H ARG A 40 72.688 -3.146 -4.871 1.00 0.00 H new ATOM 0 HA ARG A 40 71.648 -3.070 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.476 -3.582 -1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 40 72.970 -3.956 -0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 40 73.839 -5.183 -3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 40 74.016 -5.973 -2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 40 71.498 -5.786 -1.678 1.00 0.00 H new ATOM 0 HD3 ARG A 40 71.356 -5.091 -3.280 1.00 0.00 H new ATOM 0 HE ARG A 40 72.885 -7.374 -3.801 1.00 0.00 H new ATOM 0 HH11 ARG A 40 69.866 -6.832 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 40 69.263 -8.457 -2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 40 72.068 -9.411 -4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 40 70.488 -9.887 -3.567 1.00 0.00 H new ATOM 619 N ALA A 41 72.210 -0.482 -2.756 1.00 0.00 N ATOM 620 CA ALA A 41 72.422 0.946 -2.363 1.00 0.00 C ATOM 621 C ALA A 41 71.896 1.224 -0.952 1.00 0.00 C ATOM 622 O ALA A 41 70.744 0.976 -0.639 1.00 0.00 O ATOM 623 CB ALA A 41 71.630 1.764 -3.387 1.00 0.00 C ATOM 0 H ALA A 41 71.527 -0.626 -3.499 1.00 0.00 H new ATOM 0 HA ALA A 41 73.482 1.198 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 41 71.736 2.826 -3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 41 72.012 1.562 -4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 41 70.577 1.487 -3.338 1.00 0.00 H new ATOM 629 N PHE A 42 72.740 1.739 -0.097 1.00 0.00 N ATOM 630 CA PHE A 42 72.264 2.294 1.203 1.00 0.00 C ATOM 631 C PHE A 42 72.504 3.805 1.222 1.00 0.00 C ATOM 632 O PHE A 42 73.579 4.264 0.894 1.00 0.00 O ATOM 633 CB PHE A 42 73.102 1.595 2.280 1.00 0.00 C ATOM 634 CG PHE A 42 72.491 0.308 2.796 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.622 -0.916 2.054 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.780 0.315 4.043 1.00 0.00 C ATOM 637 CE1 PHE A 42 72.042 -2.127 2.560 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.200 -0.897 4.547 1.00 0.00 C ATOM 639 CZ PHE A 42 71.332 -2.117 3.805 1.00 0.00 C ATOM 0 H PHE A 42 73.747 1.799 -0.246 1.00 0.00 H new ATOM 0 HA PHE A 42 71.199 2.128 1.366 1.00 0.00 H new ATOM 0 HB2 PHE A 42 74.090 1.379 1.874 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.244 2.279 3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 42 73.157 -0.924 1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.681 1.233 4.603 1.00 0.00 H new ATOM 0 HE1 PHE A 42 72.141 -3.047 2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.664 -0.890 5.485 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.896 -3.029 4.185 1.00 0.00 H new ATOM 649 N ARG A 43 71.516 4.575 1.602 1.00 0.00 N ATOM 650 CA ARG A 43 71.649 6.063 1.538 1.00 0.00 C ATOM 651 C ARG A 43 71.127 6.695 2.827 1.00 0.00 C ATOM 652 O ARG A 43 70.163 6.238 3.408 1.00 0.00 O ATOM 653 CB ARG A 43 70.793 6.486 0.344 1.00 0.00 C ATOM 654 CG ARG A 43 70.944 7.991 0.112 1.00 0.00 C ATOM 655 CD ARG A 43 70.056 8.420 -1.060 1.00 0.00 C ATOM 656 NE ARG A 43 70.585 7.672 -2.245 1.00 0.00 N ATOM 657 CZ ARG A 43 69.847 7.462 -3.323 1.00 0.00 C ATOM 658 NH1 ARG A 43 68.610 7.900 -3.416 1.00 0.00 N ATOM 659 NH2 ARG A 43 70.363 6.803 -4.324 1.00 0.00 N ATOM 0 H ARG A 43 70.621 4.237 1.955 1.00 0.00 H new ATOM 0 HA ARG A 43 72.685 6.382 1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.098 5.938 -0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.747 6.239 0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.665 8.538 1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 43 71.985 8.234 -0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 43 69.011 8.174 -0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 43 70.106 9.497 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 43 71.540 7.315 -2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 43 68.193 8.418 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 43 68.068 7.721 -4.261 1.00 0.00 H new ATOM 0 HH21 ARG A 43 71.321 6.459 -4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 43 69.808 6.632 -5.163 1.00 0.00 H new ATOM 673 N ASN A 44 71.766 7.748 3.285 1.00 0.00 N ATOM 674 CA ASN A 44 71.314 8.444 4.540 1.00 0.00 C ATOM 675 C ASN A 44 71.182 7.451 5.706 1.00 0.00 C ATOM 676 O ASN A 44 70.257 7.525 6.493 1.00 0.00 O ATOM 677 CB ASN A 44 69.950 9.063 4.206 1.00 0.00 C ATOM 678 CG ASN A 44 70.092 10.028 3.023 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.283 10.016 2.117 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.091 10.867 2.994 1.00 0.00 N ATOM 0 H ASN A 44 72.587 8.159 2.841 1.00 0.00 H new ATOM 0 HA ASN A 44 72.035 9.199 4.854 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.234 8.278 3.963 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.559 9.593 5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.192 11.512 2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.771 10.877 3.755 1.00 0.00 H new ATOM 687 N GLY A 45 72.104 6.527 5.814 1.00 0.00 N ATOM 688 CA GLY A 45 72.110 5.586 6.976 1.00 0.00 C ATOM 689 C GLY A 45 70.831 4.739 7.003 1.00 0.00 C ATOM 690 O GLY A 45 70.453 4.221 8.038 1.00 0.00 O ATOM 0 H GLY A 45 72.858 6.383 5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.981 4.934 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.197 6.150 7.905 1.00 0.00 H new ATOM 694 N VAL A 46 70.163 4.591 5.881 1.00 0.00 N ATOM 695 CA VAL A 46 68.982 3.676 5.819 1.00 0.00 C ATOM 696 C VAL A 46 68.946 2.963 4.449 1.00 0.00 C ATOM 697 O VAL A 46 69.426 3.502 3.474 1.00 0.00 O ATOM 698 CB VAL A 46 67.766 4.592 6.021 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.459 3.811 5.823 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.800 5.142 7.444 1.00 0.00 C ATOM 0 H VAL A 46 70.387 5.066 5.007 1.00 0.00 H new ATOM 0 HA VAL A 46 69.009 2.888 6.572 1.00 0.00 H new ATOM 0 HB VAL A 46 67.806 5.401 5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.610 4.479 5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.428 3.403 4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.409 2.996 6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.942 5.795 7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.764 4.316 8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.719 5.708 7.593 1.00 0.00 H new ATOM 710 N PRO A 47 68.379 1.769 4.408 1.00 0.00 N ATOM 711 CA PRO A 47 68.390 0.982 3.149 1.00 0.00 C ATOM 712 C PRO A 47 67.430 1.601 2.129 1.00 0.00 C ATOM 713 O PRO A 47 66.339 2.020 2.474 1.00 0.00 O ATOM 714 CB PRO A 47 67.911 -0.417 3.567 1.00 0.00 C ATOM 715 CG PRO A 47 67.796 -0.393 5.063 1.00 0.00 C ATOM 716 CD PRO A 47 67.687 1.045 5.484 1.00 0.00 C ATOM 0 HA PRO A 47 69.372 0.957 2.678 1.00 0.00 H new ATOM 0 HB2 PRO A 47 66.951 -0.653 3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.616 -1.182 3.243 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.921 -0.956 5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.666 -0.862 5.522 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.647 1.359 5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 47 68.158 1.217 6.452 1.00 0.00 H new ATOM 724 N LEU A 48 67.828 1.662 0.880 1.00 0.00 N ATOM 725 CA LEU A 48 66.901 2.163 -0.183 1.00 0.00 C ATOM 726 C LEU A 48 65.899 1.070 -0.564 1.00 0.00 C ATOM 727 O LEU A 48 66.211 -0.106 -0.532 1.00 0.00 O ATOM 728 CB LEU A 48 67.800 2.522 -1.367 1.00 0.00 C ATOM 729 CG LEU A 48 68.767 3.639 -0.955 1.00 0.00 C ATOM 730 CD1 LEU A 48 69.770 3.908 -2.086 1.00 0.00 C ATOM 731 CD2 LEU A 48 67.969 4.916 -0.659 1.00 0.00 C ATOM 0 H LEU A 48 68.754 1.387 0.552 1.00 0.00 H new ATOM 0 HA LEU A 48 66.317 3.022 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.359 1.644 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.193 2.845 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 48 69.313 3.333 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.453 4.702 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.337 3.001 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.233 4.212 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.653 5.713 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.422 5.218 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.265 4.726 0.151 1.00 0.00 H new ATOM 743 N ARG A 49 64.697 1.453 -0.924 1.00 0.00 N ATOM 744 CA ARG A 49 63.622 0.440 -1.200 1.00 0.00 C ATOM 745 C ARG A 49 64.072 -0.552 -2.280 1.00 0.00 C ATOM 746 O ARG A 49 63.775 -1.731 -2.207 1.00 0.00 O ATOM 747 CB ARG A 49 62.418 1.248 -1.690 1.00 0.00 C ATOM 748 CG ARG A 49 61.220 0.315 -1.878 1.00 0.00 C ATOM 749 CD ARG A 49 60.686 -0.115 -0.508 1.00 0.00 C ATOM 750 NE ARG A 49 59.576 -1.075 -0.805 1.00 0.00 N ATOM 751 CZ ARG A 49 58.630 -1.341 0.082 1.00 0.00 C ATOM 752 NH1 ARG A 49 58.615 -0.783 1.272 1.00 0.00 N ATOM 753 NH2 ARG A 49 57.685 -2.184 -0.235 1.00 0.00 N ATOM 0 H ARG A 49 64.411 2.425 -1.040 1.00 0.00 H new ATOM 0 HA ARG A 49 63.387 -0.147 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.174 2.030 -0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 49 62.658 1.744 -2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 49 60.437 0.821 -2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 49 61.515 -0.561 -2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 49 61.466 -0.587 0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 49 60.325 0.742 0.061 1.00 0.00 H new ATOM 0 HE ARG A 49 59.548 -1.536 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 49 59.347 -0.123 1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 49 57.871 -1.010 1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 49 57.683 -2.626 -1.154 1.00 0.00 H new ATOM 0 HH22 ARG A 49 56.948 -2.400 0.436 1.00 0.00 H new ATOM 767 N LYS A 50 64.784 -0.081 -3.275 1.00 0.00 N ATOM 768 CA LYS A 50 65.260 -0.992 -4.361 1.00 0.00 C ATOM 769 C LYS A 50 66.693 -1.452 -4.077 1.00 0.00 C ATOM 770 O LYS A 50 67.642 -0.929 -4.632 1.00 0.00 O ATOM 771 CB LYS A 50 65.205 -0.150 -5.637 1.00 0.00 C ATOM 772 CG LYS A 50 63.753 0.232 -5.934 1.00 0.00 C ATOM 773 CD LYS A 50 63.680 0.968 -7.273 1.00 0.00 C ATOM 774 CE LYS A 50 62.249 1.459 -7.508 1.00 0.00 C ATOM 775 NZ LYS A 50 61.592 0.370 -8.283 1.00 0.00 N ATOM 0 H LYS A 50 65.056 0.896 -3.381 1.00 0.00 H new ATOM 0 HA LYS A 50 64.651 -1.892 -4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.812 0.748 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.623 -0.710 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.130 -0.662 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.363 0.866 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 50 64.370 1.812 -7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 50 63.986 0.305 -8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 50 61.733 1.639 -6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 50 62.239 2.398 -8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 60.606 0.633 -8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 62.101 0.226 -9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 61.610 -0.510 -7.729 1.00 0.00 H new ATOM 789 N GLN A 51 66.849 -2.427 -3.215 1.00 0.00 N ATOM 790 CA GLN A 51 68.216 -2.952 -2.900 1.00 0.00 C ATOM 791 C GLN A 51 68.864 -3.527 -4.163 1.00 0.00 C ATOM 792 O GLN A 51 70.066 -3.469 -4.335 1.00 0.00 O ATOM 793 CB GLN A 51 68.001 -4.056 -1.860 1.00 0.00 C ATOM 794 CG GLN A 51 67.433 -3.444 -0.577 1.00 0.00 C ATOM 795 CD GLN A 51 67.166 -4.548 0.449 1.00 0.00 C ATOM 796 OE1 GLN A 51 67.033 -5.705 0.099 1.00 0.00 O ATOM 797 NE2 GLN A 51 67.080 -4.239 1.714 1.00 0.00 N ATOM 0 H GLN A 51 66.087 -2.884 -2.714 1.00 0.00 H new ATOM 0 HA GLN A 51 68.877 -2.170 -2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 51 67.317 -4.810 -2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.944 -4.560 -1.649 1.00 0.00 H new ATOM 0 HG2 GLN A 51 68.135 -2.717 -0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.510 -2.908 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 51 67.191 -3.270 2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.902 -4.967 2.406 1.00 0.00 H new ATOM 806 N ASN A 52 68.068 -4.079 -5.044 1.00 0.00 N ATOM 807 CA ASN A 52 68.625 -4.692 -6.294 1.00 0.00 C ATOM 808 C ASN A 52 69.126 -3.608 -7.259 1.00 0.00 C ATOM 809 O ASN A 52 69.941 -3.876 -8.124 1.00 0.00 O ATOM 810 CB ASN A 52 67.460 -5.464 -6.917 1.00 0.00 C ATOM 811 CG ASN A 52 67.990 -6.401 -8.003 1.00 0.00 C ATOM 812 OD1 ASN A 52 68.781 -7.283 -7.729 1.00 0.00 O ATOM 813 ND2 ASN A 52 67.586 -6.248 -9.235 1.00 0.00 N ATOM 0 H ASN A 52 67.053 -4.133 -4.953 1.00 0.00 H new ATOM 0 HA ASN A 52 69.477 -5.337 -6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 52 66.939 -6.037 -6.150 1.00 0.00 H new ATOM 0 HB3 ASN A 52 66.736 -4.769 -7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 52 67.934 -6.868 -9.966 1.00 0.00 H new ATOM 0 HD22 ASN A 52 66.923 -5.509 -9.466 1.00 0.00 H new ATOM 820 N ALA A 53 68.647 -2.392 -7.122 1.00 0.00 N ATOM 821 CA ALA A 53 69.035 -1.313 -8.086 1.00 0.00 C ATOM 822 C ALA A 53 70.473 -0.862 -7.823 1.00 0.00 C ATOM 823 O ALA A 53 70.883 -0.698 -6.689 1.00 0.00 O ATOM 824 CB ALA A 53 68.056 -0.166 -7.827 1.00 0.00 C ATOM 0 H ALA A 53 68.005 -2.102 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 53 68.992 -1.654 -9.121 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.280 0.662 -8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 53 67.037 -0.511 -8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.152 0.168 -6.794 1.00 0.00 H new ATOM 830 N GLU A 54 71.237 -0.664 -8.869 1.00 0.00 N ATOM 831 CA GLU A 54 72.658 -0.231 -8.699 1.00 0.00 C ATOM 832 C GLU A 54 72.756 1.303 -8.657 1.00 0.00 C ATOM 833 O GLU A 54 71.965 2.000 -9.265 1.00 0.00 O ATOM 834 CB GLU A 54 73.412 -0.815 -9.912 1.00 0.00 C ATOM 835 CG GLU A 54 72.962 -0.152 -11.226 1.00 0.00 C ATOM 836 CD GLU A 54 73.710 -0.786 -12.399 1.00 0.00 C ATOM 837 OE1 GLU A 54 73.702 -2.003 -12.493 1.00 0.00 O ATOM 838 OE2 GLU A 54 74.281 -0.045 -13.182 1.00 0.00 O ATOM 0 H GLU A 54 70.936 -0.784 -9.836 1.00 0.00 H new ATOM 0 HA GLU A 54 73.086 -0.585 -7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 54 74.484 -0.672 -9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 54 73.239 -1.890 -9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 54 71.887 -0.274 -11.358 1.00 0.00 H new ATOM 0 HG3 GLU A 54 73.159 0.919 -11.191 1.00 0.00 H new ATOM 845 N VAL A 55 73.723 1.821 -7.943 1.00 0.00 N ATOM 846 CA VAL A 55 73.965 3.297 -7.942 1.00 0.00 C ATOM 847 C VAL A 55 75.143 3.614 -8.863 1.00 0.00 C ATOM 848 O VAL A 55 76.231 3.098 -8.676 1.00 0.00 O ATOM 849 CB VAL A 55 74.313 3.647 -6.488 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.606 5.149 -6.360 1.00 0.00 C ATOM 851 CG2 VAL A 55 73.136 3.285 -5.580 1.00 0.00 C ATOM 0 H VAL A 55 74.360 1.282 -7.357 1.00 0.00 H new ATOM 0 HA VAL A 55 73.105 3.865 -8.296 1.00 0.00 H new ATOM 0 HB VAL A 55 75.197 3.083 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.851 5.385 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.447 5.411 -7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.727 5.718 -6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.383 3.533 -4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 55 72.253 3.846 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.932 2.217 -5.657 1.00 0.00 H new ATOM 861 N VAL A 56 74.937 4.451 -9.850 1.00 0.00 N ATOM 862 CA VAL A 56 76.076 4.877 -10.720 1.00 0.00 C ATOM 863 C VAL A 56 76.191 6.399 -10.699 1.00 0.00 C ATOM 864 O VAL A 56 75.336 7.103 -11.206 1.00 0.00 O ATOM 865 CB VAL A 56 75.758 4.382 -12.133 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.960 4.675 -13.031 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.494 2.870 -12.120 1.00 0.00 C ATOM 0 H VAL A 56 74.032 4.856 -10.090 1.00 0.00 H new ATOM 0 HA VAL A 56 77.024 4.465 -10.373 1.00 0.00 H new ATOM 0 HB VAL A 56 74.869 4.890 -12.505 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.751 4.329 -14.043 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.149 5.748 -13.047 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.838 4.157 -12.644 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.269 2.531 -13.131 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.378 2.350 -11.751 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.647 2.654 -11.468 1.00 0.00 H new ATOM 877 N LEU A 57 77.242 6.899 -10.115 1.00 0.00 N ATOM 878 CA LEU A 57 77.362 8.372 -9.905 1.00 0.00 C ATOM 879 C LEU A 57 78.707 8.881 -10.434 1.00 0.00 C ATOM 880 O LEU A 57 79.734 8.256 -10.243 1.00 0.00 O ATOM 881 CB LEU A 57 77.225 8.536 -8.393 1.00 0.00 C ATOM 882 CG LEU A 57 75.733 8.613 -8.047 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.487 8.039 -6.655 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.287 10.076 -8.060 1.00 0.00 C ATOM 0 H LEU A 57 78.029 6.349 -9.771 1.00 0.00 H new ATOM 0 HA LEU A 57 76.611 8.953 -10.440 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.691 7.697 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.738 9.439 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 57 75.169 8.039 -8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.424 8.099 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.806 6.997 -6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.054 8.611 -5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.227 10.135 -7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.862 10.638 -7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.454 10.499 -9.051 1.00 0.00 H new ATOM 896 N LYS A 58 78.697 10.010 -11.100 1.00 0.00 N ATOM 897 CA LYS A 58 79.953 10.535 -11.725 1.00 0.00 C ATOM 898 C LYS A 58 80.885 11.112 -10.656 1.00 0.00 C ATOM 899 O LYS A 58 80.446 11.730 -9.705 1.00 0.00 O ATOM 900 CB LYS A 58 79.497 11.639 -12.682 1.00 0.00 C ATOM 901 CG LYS A 58 78.629 11.033 -13.787 1.00 0.00 C ATOM 902 CD LYS A 58 78.277 12.115 -14.809 1.00 0.00 C ATOM 903 CE LYS A 58 77.301 11.546 -15.843 1.00 0.00 C ATOM 904 NZ LYS A 58 78.079 10.508 -16.577 1.00 0.00 N ATOM 0 H LYS A 58 77.871 10.593 -11.238 1.00 0.00 H new ATOM 0 HA LYS A 58 80.507 9.750 -12.240 1.00 0.00 H new ATOM 0 HB2 LYS A 58 78.934 12.397 -12.137 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.363 12.137 -13.118 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.160 10.216 -14.275 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.719 10.611 -13.360 1.00 0.00 H new ATOM 0 HD2 LYS A 58 77.831 12.973 -14.306 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.181 12.470 -15.304 1.00 0.00 H new ATOM 0 HE2 LYS A 58 76.423 11.115 -15.362 1.00 0.00 H new ATOM 0 HE3 LYS A 58 76.944 12.323 -16.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 77.653 10.352 -17.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.062 10.828 -16.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 78.066 9.619 -16.038 1.00 0.00 H new ATOM 918 N CYS A 59 82.172 10.911 -10.812 1.00 0.00 N ATOM 919 CA CYS A 59 83.164 11.501 -9.851 1.00 0.00 C ATOM 920 C CYS A 59 82.980 13.023 -9.734 1.00 0.00 C ATOM 921 O CYS A 59 83.214 13.605 -8.690 1.00 0.00 O ATOM 922 CB CYS A 59 84.549 11.167 -10.429 1.00 0.00 C ATOM 923 SG CYS A 59 84.729 11.856 -12.100 1.00 0.00 S ATOM 0 H CYS A 59 82.582 10.361 -11.567 1.00 0.00 H new ATOM 0 HA CYS A 59 83.035 11.095 -8.848 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.326 11.568 -9.779 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.685 10.086 -10.459 1.00 0.00 H new ATOM 0 HG CYS A 59 85.907 11.563 -12.566 1.00 0.00 H new ATOM 929 N THR A 60 82.562 13.661 -10.799 1.00 0.00 N ATOM 930 CA THR A 60 82.405 15.152 -10.779 1.00 0.00 C ATOM 931 C THR A 60 81.318 15.560 -9.780 1.00 0.00 C ATOM 932 O THR A 60 81.339 16.652 -9.243 1.00 0.00 O ATOM 933 CB THR A 60 81.995 15.544 -12.203 1.00 0.00 C ATOM 934 OG1 THR A 60 80.767 14.910 -12.531 1.00 0.00 O ATOM 935 CG2 THR A 60 83.078 15.108 -13.192 1.00 0.00 C ATOM 0 H THR A 60 82.322 13.214 -11.684 1.00 0.00 H new ATOM 0 HA THR A 60 83.325 15.650 -10.473 1.00 0.00 H new ATOM 0 HB THR A 60 81.874 16.626 -12.260 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.502 15.161 -13.441 1.00 0.00 H new ATOM 0 HG21 THR A 60 82.782 15.389 -14.203 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.019 15.597 -12.940 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.206 14.027 -13.138 1.00 0.00 H new ATOM 943 N ASP A 61 80.370 14.689 -9.529 1.00 0.00 N ATOM 944 CA ASP A 61 79.295 15.002 -8.537 1.00 0.00 C ATOM 945 C ASP A 61 79.717 14.563 -7.129 1.00 0.00 C ATOM 946 O ASP A 61 79.207 15.060 -6.143 1.00 0.00 O ATOM 947 CB ASP A 61 78.073 14.208 -9.009 1.00 0.00 C ATOM 948 CG ASP A 61 77.631 14.702 -10.390 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.837 15.871 -10.680 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.094 13.901 -11.137 1.00 0.00 O ATOM 0 H ASP A 61 80.295 13.772 -9.970 1.00 0.00 H new ATOM 0 HA ASP A 61 79.088 16.071 -8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.314 13.146 -9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.257 14.321 -8.295 1.00 0.00 H new ATOM 955 N ILE A 62 80.644 13.636 -7.030 1.00 0.00 N ATOM 956 CA ILE A 62 81.126 13.186 -5.687 1.00 0.00 C ATOM 957 C ILE A 62 82.158 14.178 -5.142 1.00 0.00 C ATOM 958 O ILE A 62 82.950 14.731 -5.886 1.00 0.00 O ATOM 959 CB ILE A 62 81.771 11.812 -5.929 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.733 10.851 -6.518 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.286 11.242 -4.604 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.417 9.542 -6.920 1.00 0.00 C ATOM 0 H ILE A 62 81.086 13.173 -7.824 1.00 0.00 H new ATOM 0 HA ILE A 62 80.320 13.129 -4.956 1.00 0.00 H new ATOM 0 HB ILE A 62 82.601 11.927 -6.626 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.949 10.654 -5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.254 11.304 -7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.742 10.268 -4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.028 11.919 -4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.455 11.133 -3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.678 8.859 -7.339 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.185 9.747 -7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.876 9.087 -6.042 1.00 0.00 H new ATOM 974 N ARG A 63 82.152 14.406 -3.851 1.00 0.00 N ATOM 975 CA ARG A 63 83.127 15.360 -3.244 1.00 0.00 C ATOM 976 C ARG A 63 84.288 14.593 -2.604 1.00 0.00 C ATOM 977 O ARG A 63 85.412 15.061 -2.590 1.00 0.00 O ATOM 978 CB ARG A 63 82.332 16.123 -2.183 1.00 0.00 C ATOM 979 CG ARG A 63 83.222 17.194 -1.549 1.00 0.00 C ATOM 980 CD ARG A 63 83.446 18.332 -2.549 1.00 0.00 C ATOM 981 NE ARG A 63 84.383 19.278 -1.864 1.00 0.00 N ATOM 982 CZ ARG A 63 85.110 20.150 -2.543 1.00 0.00 C ATOM 983 NH1 ARG A 63 85.051 20.235 -3.855 1.00 0.00 N ATOM 984 NH2 ARG A 63 85.908 20.952 -1.891 1.00 0.00 N ATOM 0 H ARG A 63 81.510 13.969 -3.190 1.00 0.00 H new ATOM 0 HA ARG A 63 83.562 16.032 -3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.454 16.585 -2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 63 81.972 15.435 -1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 63 82.755 17.579 -0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.178 16.760 -1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.873 17.960 -3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.507 18.823 -2.803 1.00 0.00 H new ATOM 0 HE ARG A 63 84.463 19.249 -0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.431 19.617 -4.379 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.625 20.919 -4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.964 20.900 -0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.476 21.630 -2.399 1.00 0.00 H new ATOM 998 N SER A 64 84.024 13.420 -2.075 1.00 0.00 N ATOM 999 CA SER A 64 85.118 12.615 -1.442 1.00 0.00 C ATOM 1000 C SER A 64 84.713 11.142 -1.348 1.00 0.00 C ATOM 1001 O SER A 64 83.545 10.816 -1.269 1.00 0.00 O ATOM 1002 CB SER A 64 85.300 13.215 -0.049 1.00 0.00 C ATOM 1003 OG SER A 64 86.410 12.596 0.587 1.00 0.00 O ATOM 0 H SER A 64 83.101 12.987 -2.054 1.00 0.00 H new ATOM 0 HA SER A 64 86.040 12.649 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 64 85.461 14.291 -0.122 1.00 0.00 H new ATOM 0 HB3 SER A 64 84.397 13.067 0.544 1.00 0.00 H new ATOM 0 HG SER A 64 86.531 12.980 1.481 1.00 0.00 H new ATOM 1009 N ILE A 65 85.678 10.252 -1.354 1.00 0.00 N ATOM 1010 CA ILE A 65 85.362 8.788 -1.309 1.00 0.00 C ATOM 1011 C ILE A 65 86.338 8.075 -0.368 1.00 0.00 C ATOM 1012 O ILE A 65 87.494 8.444 -0.265 1.00 0.00 O ATOM 1013 CB ILE A 65 85.522 8.271 -2.744 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.607 9.058 -3.695 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.147 6.786 -2.789 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.844 8.614 -5.145 1.00 0.00 C ATOM 0 H ILE A 65 86.672 10.477 -1.388 1.00 0.00 H new ATOM 0 HA ILE A 65 84.354 8.603 -0.937 1.00 0.00 H new ATOM 0 HB ILE A 65 86.557 8.402 -3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.564 8.898 -3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.801 10.126 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.259 6.413 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.802 6.225 -2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.112 6.662 -2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.190 9.178 -5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 65 85.884 8.798 -5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.627 7.550 -5.240 1.00 0.00 H new ATOM 1028 N ASP A 66 85.875 7.056 0.315 1.00 0.00 N ATOM 1029 CA ASP A 66 86.763 6.309 1.258 1.00 0.00 C ATOM 1030 C ASP A 66 86.526 4.798 1.139 1.00 0.00 C ATOM 1031 O ASP A 66 85.398 4.347 1.113 1.00 0.00 O ATOM 1032 CB ASP A 66 86.364 6.812 2.652 1.00 0.00 C ATOM 1033 CG ASP A 66 84.882 6.515 2.924 1.00 0.00 C ATOM 1034 OD1 ASP A 66 84.596 5.438 3.421 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.063 7.370 2.631 1.00 0.00 O ATOM 0 H ASP A 66 84.917 6.709 0.259 1.00 0.00 H new ATOM 0 HA ASP A 66 87.820 6.474 1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 66 86.983 6.332 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.546 7.884 2.725 1.00 0.00 H new ATOM 1040 N LEU A 67 87.580 4.019 1.064 1.00 0.00 N ATOM 1041 CA LEU A 67 87.420 2.533 1.138 1.00 0.00 C ATOM 1042 C LEU A 67 87.205 2.111 2.596 1.00 0.00 C ATOM 1043 O LEU A 67 88.088 2.245 3.423 1.00 0.00 O ATOM 1044 CB LEU A 67 88.742 1.964 0.612 1.00 0.00 C ATOM 1045 CG LEU A 67 88.711 1.899 -0.926 1.00 0.00 C ATOM 1046 CD1 LEU A 67 90.055 2.367 -1.490 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.457 0.455 -1.378 1.00 0.00 C ATOM 0 H LEU A 67 88.540 4.347 0.955 1.00 0.00 H new ATOM 0 HA LEU A 67 86.566 2.176 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.573 2.588 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 67 88.908 0.968 1.023 1.00 0.00 H new ATOM 0 HG LEU A 67 87.913 2.545 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 67 90.029 2.320 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.244 3.394 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.850 1.722 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.436 0.413 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.254 -0.188 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.500 0.113 -0.983 1.00 0.00 H new ATOM 1059 N ILE A 68 86.038 1.602 2.913 1.00 0.00 N ATOM 1060 CA ILE A 68 85.757 1.168 4.319 1.00 0.00 C ATOM 1061 C ILE A 68 86.443 -0.172 4.598 1.00 0.00 C ATOM 1062 O ILE A 68 87.080 -0.354 5.619 1.00 0.00 O ATOM 1063 CB ILE A 68 84.230 1.026 4.404 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.569 2.371 4.078 1.00 0.00 C ATOM 1065 CG2 ILE A 68 83.829 0.597 5.821 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.051 2.194 3.973 1.00 0.00 C ATOM 0 H ILE A 68 85.267 1.468 2.258 1.00 0.00 H new ATOM 0 HA ILE A 68 86.133 1.879 5.054 1.00 0.00 H new ATOM 0 HB ILE A 68 83.901 0.273 3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 68 83.806 3.100 4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 68 83.964 2.762 3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 68 82.745 0.497 5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.294 -0.360 6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.162 1.349 6.537 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.588 3.153 3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 68 81.822 1.480 3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 68 81.662 1.823 4.921 1.00 0.00 H new ATOM 1078 N GLU A 69 86.314 -1.105 3.690 1.00 0.00 N ATOM 1079 CA GLU A 69 86.915 -2.457 3.894 1.00 0.00 C ATOM 1080 C GLU A 69 87.582 -2.940 2.593 1.00 0.00 C ATOM 1081 O GLU A 69 86.894 -3.373 1.689 1.00 0.00 O ATOM 1082 CB GLU A 69 85.740 -3.363 4.262 1.00 0.00 C ATOM 1083 CG GLU A 69 85.420 -3.207 5.751 1.00 0.00 C ATOM 1084 CD GLU A 69 84.297 -4.171 6.136 1.00 0.00 C ATOM 1085 OE1 GLU A 69 84.289 -5.277 5.622 1.00 0.00 O ATOM 1086 OE2 GLU A 69 83.463 -3.788 6.941 1.00 0.00 O ATOM 0 H GLU A 69 85.814 -0.987 2.809 1.00 0.00 H new ATOM 0 HA GLU A 69 87.684 -2.456 4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 69 84.867 -3.105 3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.984 -4.402 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.309 -3.411 6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 69 85.121 -2.181 5.964 1.00 0.00 H new ATOM 1093 N PRO A 70 88.901 -2.854 2.525 1.00 0.00 N ATOM 1094 CA PRO A 70 89.612 -3.310 1.303 1.00 0.00 C ATOM 1095 C PRO A 70 89.365 -4.803 1.069 1.00 0.00 C ATOM 1096 O PRO A 70 89.276 -5.256 -0.053 1.00 0.00 O ATOM 1097 CB PRO A 70 91.090 -3.043 1.599 1.00 0.00 C ATOM 1098 CG PRO A 70 91.178 -2.835 3.078 1.00 0.00 C ATOM 1099 CD PRO A 70 89.836 -2.342 3.541 1.00 0.00 C ATOM 0 HA PRO A 70 89.273 -2.796 0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 70 91.710 -3.883 1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 70 91.445 -2.165 1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 70 91.440 -3.765 3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 70 91.957 -2.112 3.319 1.00 0.00 H new ATOM 0 HD2 PRO A 70 89.593 -2.719 4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 70 89.808 -1.254 3.598 1.00 0.00 H new ATOM 1107 N ALA A 71 89.250 -5.568 2.131 1.00 0.00 N ATOM 1108 CA ALA A 71 88.989 -7.044 2.010 1.00 0.00 C ATOM 1109 C ALA A 71 90.092 -7.737 1.187 1.00 0.00 C ATOM 1110 O ALA A 71 91.034 -8.274 1.740 1.00 0.00 O ATOM 1111 CB ALA A 71 87.615 -7.181 1.332 1.00 0.00 C ATOM 0 H ALA A 71 89.327 -5.229 3.090 1.00 0.00 H new ATOM 0 HA ALA A 71 88.993 -7.528 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 71 87.370 -8.237 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 71 86.856 -6.697 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 71 87.644 -6.706 0.351 1.00 0.00 H new ATOM 1117 N LYS A 72 89.983 -7.729 -0.122 1.00 0.00 N ATOM 1118 CA LYS A 72 90.954 -8.493 -0.975 1.00 0.00 C ATOM 1119 C LYS A 72 92.395 -8.048 -0.697 1.00 0.00 C ATOM 1120 O LYS A 72 93.313 -8.846 -0.745 1.00 0.00 O ATOM 1121 CB LYS A 72 90.568 -8.166 -2.421 1.00 0.00 C ATOM 1122 CG LYS A 72 91.433 -8.988 -3.378 1.00 0.00 C ATOM 1123 CD LYS A 72 91.094 -8.612 -4.822 1.00 0.00 C ATOM 1124 CE LYS A 72 91.880 -9.510 -5.780 1.00 0.00 C ATOM 1125 NZ LYS A 72 93.285 -9.024 -5.697 1.00 0.00 N ATOM 0 H LYS A 72 89.262 -7.225 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 72 90.911 -9.563 -0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 72 89.513 -8.387 -2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 72 90.705 -7.102 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 72 92.489 -8.803 -3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 72 91.261 -10.052 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 72 90.024 -8.724 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 72 91.339 -7.566 -5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 72 91.807 -10.558 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 72 91.495 -9.434 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 93.683 -8.948 -6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 93.303 -8.090 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 93.852 -9.694 -5.139 1.00 0.00 H new ATOM 1139 N GLN A 73 92.597 -6.784 -0.409 1.00 0.00 N ATOM 1140 CA GLN A 73 93.986 -6.269 -0.205 1.00 0.00 C ATOM 1141 C GLN A 73 94.415 -6.455 1.253 1.00 0.00 C ATOM 1142 O GLN A 73 93.802 -5.926 2.163 1.00 0.00 O ATOM 1143 CB GLN A 73 93.913 -4.783 -0.557 1.00 0.00 C ATOM 1144 CG GLN A 73 95.319 -4.180 -0.518 1.00 0.00 C ATOM 1145 CD GLN A 73 95.235 -2.671 -0.756 1.00 0.00 C ATOM 1146 OE1 GLN A 73 94.526 -1.972 -0.059 1.00 0.00 O ATOM 1147 NE2 GLN A 73 95.936 -2.135 -1.718 1.00 0.00 N ATOM 0 H GLN A 73 91.859 -6.088 -0.307 1.00 0.00 H new ATOM 0 HA GLN A 73 94.715 -6.799 -0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 73 93.478 -4.654 -1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 73 93.263 -4.263 0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 73 95.786 -4.381 0.446 1.00 0.00 H new ATOM 0 HG3 GLN A 73 95.946 -4.644 -1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 73 96.531 -2.721 -2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 73 95.889 -1.130 -1.885 1.00 0.00 H new ATOM 1156 N ASP A 74 95.467 -7.205 1.475 1.00 0.00 N ATOM 1157 CA ASP A 74 95.969 -7.422 2.867 1.00 0.00 C ATOM 1158 C ASP A 74 97.408 -7.949 2.837 1.00 0.00 C ATOM 1159 O ASP A 74 97.923 -8.302 1.791 1.00 0.00 O ATOM 1160 CB ASP A 74 95.017 -8.457 3.484 1.00 0.00 C ATOM 1161 CG ASP A 74 94.987 -9.750 2.647 1.00 0.00 C ATOM 1162 OD1 ASP A 74 95.829 -9.908 1.775 1.00 0.00 O ATOM 1163 OD2 ASP A 74 94.115 -10.565 2.897 1.00 0.00 O ATOM 0 H ASP A 74 96.002 -7.679 0.747 1.00 0.00 H new ATOM 0 HA ASP A 74 95.987 -6.499 3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 74 95.334 -8.686 4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 74 94.013 -8.039 3.549 1.00 0.00 H new ATOM 1168 N LEU A 75 98.054 -8.004 3.976 1.00 0.00 N ATOM 1169 CA LEU A 75 99.462 -8.507 4.024 1.00 0.00 C ATOM 1170 C LEU A 75 99.489 -9.956 4.520 1.00 0.00 C ATOM 1171 O LEU A 75 99.053 -10.251 5.618 1.00 0.00 O ATOM 1172 CB LEU A 75 100.174 -7.586 5.016 1.00 0.00 C ATOM 1173 CG LEU A 75 101.670 -7.900 5.024 1.00 0.00 C ATOM 1174 CD1 LEU A 75 102.318 -7.342 3.757 1.00 0.00 C ATOM 1175 CD2 LEU A 75 102.317 -7.259 6.254 1.00 0.00 C ATOM 0 H LEU A 75 97.666 -7.722 4.876 1.00 0.00 H new ATOM 0 HA LEU A 75 99.939 -8.499 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 75 100.012 -6.544 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 75 99.759 -7.720 6.015 1.00 0.00 H new ATOM 0 HG LEU A 75 101.814 -8.980 5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 75 103.385 -7.567 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 75 101.857 -7.799 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 75 102.175 -6.262 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 75 103.384 -7.482 6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 75 102.172 -6.179 6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 75 101.856 -7.659 7.157 1.00 0.00 H new ATOM 1187 N ASP A 76 100.000 -10.857 3.716 1.00 0.00 N ATOM 1188 CA ASP A 76 100.045 -12.298 4.124 1.00 0.00 C ATOM 1189 C ASP A 76 101.000 -12.491 5.307 1.00 0.00 C ATOM 1190 O ASP A 76 100.681 -13.169 6.266 1.00 0.00 O ATOM 1191 CB ASP A 76 100.560 -13.054 2.894 1.00 0.00 C ATOM 1192 CG ASP A 76 100.450 -14.565 3.126 1.00 0.00 C ATOM 1193 OD1 ASP A 76 99.559 -14.975 3.855 1.00 0.00 O ATOM 1194 OD2 ASP A 76 101.260 -15.288 2.569 1.00 0.00 O ATOM 0 H ASP A 76 100.388 -10.657 2.794 1.00 0.00 H new ATOM 0 HA ASP A 76 99.067 -12.659 4.443 1.00 0.00 H new ATOM 0 HB2 ASP A 76 99.983 -12.770 2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 76 101.597 -12.782 2.697 1.00 0.00 H new ATOM 1199 N GLY A 77 102.168 -11.898 5.239 1.00 0.00 N ATOM 1200 CA GLY A 77 103.160 -12.047 6.346 1.00 0.00 C ATOM 1201 C GLY A 77 103.138 -10.795 7.225 1.00 0.00 C ATOM 1202 O GLY A 77 102.334 -9.904 7.026 1.00 0.00 O ATOM 0 H GLY A 77 102.476 -11.315 4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 77 102.924 -12.928 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 77 104.158 -12.198 5.936 1.00 0.00 H new ATOM 1206 N HIS A 78 104.018 -10.727 8.195 1.00 0.00 N ATOM 1207 CA HIS A 78 104.098 -9.509 9.058 1.00 0.00 C ATOM 1208 C HIS A 78 105.496 -8.891 8.969 1.00 0.00 C ATOM 1209 O HIS A 78 106.483 -9.514 9.318 1.00 0.00 O ATOM 1210 CB HIS A 78 103.824 -10.009 10.475 1.00 0.00 C ATOM 1211 CG HIS A 78 102.489 -10.687 10.625 1.00 0.00 C ATOM 1212 ND1 HIS A 78 101.298 -10.059 10.292 1.00 0.00 N ATOM 1213 CD2 HIS A 78 102.139 -11.937 11.072 1.00 0.00 C ATOM 1214 CE1 HIS A 78 100.299 -10.924 10.543 1.00 0.00 C ATOM 1215 NE2 HIS A 78 100.757 -12.085 11.020 1.00 0.00 N ATOM 0 H HIS A 78 104.684 -11.464 8.426 1.00 0.00 H new ATOM 0 HA HIS A 78 103.389 -8.739 8.753 1.00 0.00 H new ATOM 0 HB2 HIS A 78 104.611 -10.706 10.764 1.00 0.00 H new ATOM 0 HB3 HIS A 78 103.874 -9.167 11.165 1.00 0.00 H new ATOM 0 HD2 HIS A 78 102.832 -12.692 11.413 1.00 0.00 H new ATOM 0 HE1 HIS A 78 99.254 -10.707 10.379 1.00 0.00 H new ATOM 0 HE2 HIS A 78 100.211 -12.904 11.288 1.00 0.00 H new ATOM 1223 N THR A 79 105.583 -7.670 8.504 1.00 0.00 N ATOM 1224 CA THR A 79 106.901 -6.969 8.447 1.00 0.00 C ATOM 1225 C THR A 79 106.712 -5.470 8.708 1.00 0.00 C ATOM 1226 O THR A 79 105.650 -4.923 8.478 1.00 0.00 O ATOM 1227 CB THR A 79 107.427 -7.226 7.027 1.00 0.00 C ATOM 1228 OG1 THR A 79 108.703 -6.619 6.882 1.00 0.00 O ATOM 1229 CG2 THR A 79 106.460 -6.653 5.982 1.00 0.00 C ATOM 0 H THR A 79 104.792 -7.126 8.159 1.00 0.00 H new ATOM 0 HA THR A 79 107.600 -7.329 9.202 1.00 0.00 H new ATOM 0 HB THR A 79 107.509 -8.301 6.870 1.00 0.00 H new ATOM 0 HG1 THR A 79 109.042 -6.783 5.977 1.00 0.00 H new ATOM 0 HG21 THR A 79 106.849 -6.845 4.982 1.00 0.00 H new ATOM 0 HG22 THR A 79 105.485 -7.129 6.089 1.00 0.00 H new ATOM 0 HG23 THR A 79 106.358 -5.578 6.132 1.00 0.00 H new ATOM 1237 N ALA A 80 107.738 -4.799 9.186 1.00 0.00 N ATOM 1238 CA ALA A 80 107.634 -3.323 9.466 1.00 0.00 C ATOM 1239 C ALA A 80 106.405 -3.019 10.349 1.00 0.00 C ATOM 1240 O ALA A 80 105.740 -3.934 10.795 1.00 0.00 O ATOM 1241 CB ALA A 80 107.491 -2.658 8.093 1.00 0.00 C ATOM 0 H ALA A 80 108.647 -5.211 9.396 1.00 0.00 H new ATOM 0 HA ALA A 80 108.505 -2.952 10.007 1.00 0.00 H new ATOM 0 HB1 ALA A 80 107.410 -1.578 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 80 108.366 -2.888 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 80 106.596 -3.034 7.598 1.00 0.00 H new ATOM 1247 N PRO A 81 106.128 -1.746 10.581 1.00 0.00 N ATOM 1248 CA PRO A 81 104.933 -1.379 11.387 1.00 0.00 C ATOM 1249 C PRO A 81 103.650 -1.914 10.717 1.00 0.00 C ATOM 1250 O PRO A 81 103.517 -1.824 9.512 1.00 0.00 O ATOM 1251 CB PRO A 81 104.938 0.151 11.395 1.00 0.00 C ATOM 1252 CG PRO A 81 106.319 0.555 10.984 1.00 0.00 C ATOM 1253 CD PRO A 81 106.873 -0.557 10.137 1.00 0.00 C ATOM 0 HA PRO A 81 104.959 -1.800 12.392 1.00 0.00 H new ATOM 0 HB2 PRO A 81 104.193 0.548 10.706 1.00 0.00 H new ATOM 0 HB3 PRO A 81 104.695 0.538 12.385 1.00 0.00 H new ATOM 0 HG2 PRO A 81 106.296 1.490 10.424 1.00 0.00 H new ATOM 0 HG3 PRO A 81 106.947 0.722 11.859 1.00 0.00 H new ATOM 0 HD2 PRO A 81 106.721 -0.364 9.075 1.00 0.00 H new ATOM 0 HD3 PRO A 81 107.946 -0.678 10.289 1.00 0.00 H new ATOM 1261 N PRO A 82 102.737 -2.456 11.506 1.00 0.00 N ATOM 1262 CA PRO A 82 101.502 -3.040 10.923 1.00 0.00 C ATOM 1263 C PRO A 82 100.615 -1.932 10.326 1.00 0.00 C ATOM 1264 O PRO A 82 100.666 -0.805 10.778 1.00 0.00 O ATOM 1265 CB PRO A 82 100.806 -3.709 12.107 1.00 0.00 C ATOM 1266 CG PRO A 82 101.372 -3.053 13.325 1.00 0.00 C ATOM 1267 CD PRO A 82 102.757 -2.579 12.976 1.00 0.00 C ATOM 0 HA PRO A 82 101.710 -3.740 10.114 1.00 0.00 H new ATOM 0 HB2 PRO A 82 99.726 -3.574 12.055 1.00 0.00 H new ATOM 0 HB3 PRO A 82 100.993 -4.783 12.117 1.00 0.00 H new ATOM 0 HG2 PRO A 82 100.747 -2.216 13.636 1.00 0.00 H new ATOM 0 HG3 PRO A 82 101.405 -3.754 14.159 1.00 0.00 H new ATOM 0 HD2 PRO A 82 102.983 -1.625 13.453 1.00 0.00 H new ATOM 0 HD3 PRO A 82 103.516 -3.288 13.306 1.00 0.00 H new ATOM 1275 N PRO A 83 99.820 -2.275 9.326 1.00 0.00 N ATOM 1276 CA PRO A 83 98.915 -1.268 8.714 1.00 0.00 C ATOM 1277 C PRO A 83 97.931 -0.732 9.758 1.00 0.00 C ATOM 1278 O PRO A 83 97.477 -1.459 10.623 1.00 0.00 O ATOM 1279 CB PRO A 83 98.175 -2.037 7.616 1.00 0.00 C ATOM 1280 CG PRO A 83 98.393 -3.487 7.918 1.00 0.00 C ATOM 1281 CD PRO A 83 99.684 -3.592 8.679 1.00 0.00 C ATOM 0 HA PRO A 83 99.453 -0.404 8.322 1.00 0.00 H new ATOM 0 HB2 PRO A 83 97.113 -1.793 7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 83 98.562 -1.780 6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 83 97.566 -3.886 8.506 1.00 0.00 H new ATOM 0 HG3 PRO A 83 98.440 -4.069 6.998 1.00 0.00 H new ATOM 0 HD2 PRO A 83 99.651 -4.397 9.413 1.00 0.00 H new ATOM 0 HD3 PRO A 83 100.523 -3.800 8.016 1.00 0.00 H new ATOM 1289 N VAL A 84 97.601 0.534 9.678 1.00 0.00 N ATOM 1290 CA VAL A 84 96.668 1.140 10.678 1.00 0.00 C ATOM 1291 C VAL A 84 95.539 1.893 9.965 1.00 0.00 C ATOM 1292 O VAL A 84 95.661 2.261 8.811 1.00 0.00 O ATOM 1293 CB VAL A 84 97.530 2.100 11.509 1.00 0.00 C ATOM 1294 CG1 VAL A 84 98.636 1.311 12.214 1.00 0.00 C ATOM 1295 CG2 VAL A 84 98.168 3.158 10.600 1.00 0.00 C ATOM 0 H VAL A 84 97.939 1.176 8.961 1.00 0.00 H new ATOM 0 HA VAL A 84 96.192 0.386 11.305 1.00 0.00 H new ATOM 0 HB VAL A 84 96.898 2.594 12.247 1.00 0.00 H new ATOM 0 HG11 VAL A 84 99.249 1.992 12.805 1.00 0.00 H new ATOM 0 HG12 VAL A 84 98.189 0.564 12.870 1.00 0.00 H new ATOM 0 HG13 VAL A 84 99.259 0.814 11.470 1.00 0.00 H new ATOM 0 HG21 VAL A 84 98.777 3.834 11.200 1.00 0.00 H new ATOM 0 HG22 VAL A 84 98.796 2.668 9.856 1.00 0.00 H new ATOM 0 HG23 VAL A 84 97.385 3.726 10.097 1.00 0.00 H new ATOM 1305 N VAL A 85 94.445 2.119 10.649 1.00 0.00 N ATOM 1306 CA VAL A 85 93.293 2.839 10.023 1.00 0.00 C ATOM 1307 C VAL A 85 92.850 4.005 10.916 1.00 0.00 C ATOM 1308 O VAL A 85 93.180 4.056 12.087 1.00 0.00 O ATOM 1309 CB VAL A 85 92.180 1.789 9.895 1.00 0.00 C ATOM 1310 CG1 VAL A 85 92.657 0.647 8.997 1.00 0.00 C ATOM 1311 CG2 VAL A 85 91.822 1.227 11.277 1.00 0.00 C ATOM 0 H VAL A 85 94.300 1.835 11.618 1.00 0.00 H new ATOM 0 HA VAL A 85 93.550 3.267 9.054 1.00 0.00 H new ATOM 0 HB VAL A 85 91.299 2.260 9.460 1.00 0.00 H new ATOM 0 HG11 VAL A 85 91.867 -0.099 8.906 1.00 0.00 H new ATOM 0 HG12 VAL A 85 92.902 1.039 8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 85 93.543 0.186 9.434 1.00 0.00 H new ATOM 0 HG21 VAL A 85 91.032 0.483 11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 85 92.703 0.762 11.720 1.00 0.00 H new ATOM 0 HG23 VAL A 85 91.477 2.036 11.921 1.00 0.00 H new ATOM 1321 N ASN A 86 92.107 4.935 10.368 1.00 0.00 N ATOM 1322 CA ASN A 86 91.662 6.118 11.168 1.00 0.00 C ATOM 1323 C ASN A 86 90.473 5.739 12.055 1.00 0.00 C ATOM 1324 O ASN A 86 89.417 5.378 11.570 1.00 0.00 O ATOM 1325 CB ASN A 86 91.247 7.168 10.136 1.00 0.00 C ATOM 1326 CG ASN A 86 91.078 8.525 10.823 1.00 0.00 C ATOM 1327 OD1 ASN A 86 91.666 8.774 11.856 1.00 0.00 O ATOM 1328 ND2 ASN A 86 90.293 9.420 10.288 1.00 0.00 N ATOM 0 H ASN A 86 91.789 4.926 9.399 1.00 0.00 H new ATOM 0 HA ASN A 86 92.448 6.486 11.828 1.00 0.00 H new ATOM 0 HB2 ASN A 86 92.000 7.238 9.351 1.00 0.00 H new ATOM 0 HB3 ASN A 86 90.313 6.873 9.657 1.00 0.00 H new ATOM 0 HD21 ASN A 86 90.174 10.328 10.737 1.00 0.00 H new ATOM 0 HD22 ASN A 86 89.799 9.212 9.420 1.00 0.00 H new ATOM 1335 N LYS A 87 90.643 5.821 13.352 1.00 0.00 N ATOM 1336 CA LYS A 87 89.539 5.452 14.290 1.00 0.00 C ATOM 1337 C LYS A 87 89.267 6.605 15.275 1.00 0.00 C ATOM 1338 O LYS A 87 90.031 7.549 15.330 1.00 0.00 O ATOM 1339 CB LYS A 87 90.037 4.205 15.032 1.00 0.00 C ATOM 1340 CG LYS A 87 91.344 4.516 15.773 1.00 0.00 C ATOM 1341 CD LYS A 87 91.671 3.373 16.736 1.00 0.00 C ATOM 1342 CE LYS A 87 92.614 2.382 16.052 1.00 0.00 C ATOM 1343 NZ LYS A 87 92.751 1.255 17.015 1.00 0.00 N ATOM 0 H LYS A 87 91.504 6.130 13.803 1.00 0.00 H new ATOM 0 HA LYS A 87 88.603 5.259 13.767 1.00 0.00 H new ATOM 0 HB2 LYS A 87 89.280 3.868 15.740 1.00 0.00 H new ATOM 0 HB3 LYS A 87 90.196 3.391 14.324 1.00 0.00 H new ATOM 0 HG2 LYS A 87 92.157 4.647 15.059 1.00 0.00 H new ATOM 0 HG3 LYS A 87 91.249 5.452 16.323 1.00 0.00 H new ATOM 0 HD2 LYS A 87 92.134 3.767 17.640 1.00 0.00 H new ATOM 0 HD3 LYS A 87 90.755 2.868 17.041 1.00 0.00 H new ATOM 0 HE2 LYS A 87 92.206 2.041 15.101 1.00 0.00 H new ATOM 0 HE3 LYS A 87 93.580 2.839 15.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 93.384 0.533 16.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 93.148 1.609 17.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 91.816 0.835 17.193 1.00 0.00 H new ATOM 1357 N PRO A 88 88.186 6.505 16.033 1.00 0.00 N ATOM 1358 CA PRO A 88 87.854 7.578 17.011 1.00 0.00 C ATOM 1359 C PRO A 88 88.999 7.769 18.013 1.00 0.00 C ATOM 1360 O PRO A 88 89.695 6.830 18.356 1.00 0.00 O ATOM 1361 CB PRO A 88 86.598 7.068 17.719 1.00 0.00 C ATOM 1362 CG PRO A 88 86.039 6.000 16.832 1.00 0.00 C ATOM 1363 CD PRO A 88 87.190 5.420 16.057 1.00 0.00 C ATOM 0 HA PRO A 88 87.700 8.545 16.533 1.00 0.00 H new ATOM 0 HB2 PRO A 88 86.838 6.672 18.706 1.00 0.00 H new ATOM 0 HB3 PRO A 88 85.877 7.872 17.866 1.00 0.00 H new ATOM 0 HG2 PRO A 88 85.545 5.229 17.423 1.00 0.00 H new ATOM 0 HG3 PRO A 88 85.290 6.413 16.157 1.00 0.00 H new ATOM 0 HD2 PRO A 88 87.585 4.526 16.539 1.00 0.00 H new ATOM 0 HD3 PRO A 88 86.889 5.133 15.050 1.00 0.00 H new ATOM 1371 N THR A 89 89.192 8.979 18.481 1.00 0.00 N ATOM 1372 CA THR A 89 90.313 9.252 19.437 1.00 0.00 C ATOM 1373 C THR A 89 90.039 8.565 20.789 1.00 0.00 C ATOM 1374 O THR A 89 88.908 8.537 21.234 1.00 0.00 O ATOM 1375 CB THR A 89 90.341 10.774 19.607 1.00 0.00 C ATOM 1376 OG1 THR A 89 90.130 11.395 18.346 1.00 0.00 O ATOM 1377 CG2 THR A 89 91.697 11.202 20.169 1.00 0.00 C ATOM 0 H THR A 89 88.622 9.790 18.242 1.00 0.00 H new ATOM 0 HA THR A 89 91.265 8.869 19.070 1.00 0.00 H new ATOM 0 HB THR A 89 89.553 11.077 20.297 1.00 0.00 H new ATOM 0 HG1 THR A 89 90.146 12.369 18.454 1.00 0.00 H new ATOM 0 HG21 THR A 89 91.715 12.285 20.289 1.00 0.00 H new ATOM 0 HG22 THR A 89 91.856 10.727 21.137 1.00 0.00 H new ATOM 0 HG23 THR A 89 92.487 10.900 19.482 1.00 0.00 H new ATOM 1385 N PRO A 90 91.074 8.026 21.412 1.00 0.00 N ATOM 1386 CA PRO A 90 90.886 7.342 22.718 1.00 0.00 C ATOM 1387 C PRO A 90 90.326 8.318 23.760 1.00 0.00 C ATOM 1388 O PRO A 90 89.635 7.923 24.680 1.00 0.00 O ATOM 1389 CB PRO A 90 92.291 6.881 23.115 1.00 0.00 C ATOM 1390 CG PRO A 90 93.112 6.957 21.866 1.00 0.00 C ATOM 1391 CD PRO A 90 92.483 7.997 20.981 1.00 0.00 C ATOM 0 HA PRO A 90 90.180 6.514 22.656 1.00 0.00 H new ATOM 0 HB2 PRO A 90 92.706 7.519 23.895 1.00 0.00 H new ATOM 0 HB3 PRO A 90 92.272 5.865 23.510 1.00 0.00 H new ATOM 0 HG2 PRO A 90 94.143 7.223 22.099 1.00 0.00 H new ATOM 0 HG3 PRO A 90 93.138 5.990 21.364 1.00 0.00 H new ATOM 0 HD2 PRO A 90 92.959 8.969 21.107 1.00 0.00 H new ATOM 0 HD3 PRO A 90 92.573 7.732 19.928 1.00 0.00 H new ATOM 1399 N VAL A 91 90.623 9.587 23.615 1.00 0.00 N ATOM 1400 CA VAL A 91 90.123 10.599 24.595 1.00 0.00 C ATOM 1401 C VAL A 91 89.510 11.795 23.854 1.00 0.00 C ATOM 1402 O VAL A 91 89.964 12.174 22.790 1.00 0.00 O ATOM 1403 CB VAL A 91 91.361 11.016 25.403 1.00 0.00 C ATOM 1404 CG1 VAL A 91 92.419 11.623 24.475 1.00 0.00 C ATOM 1405 CG2 VAL A 91 90.960 12.049 26.460 1.00 0.00 C ATOM 0 H VAL A 91 91.192 9.965 22.858 1.00 0.00 H new ATOM 0 HA VAL A 91 89.340 10.204 25.242 1.00 0.00 H new ATOM 0 HB VAL A 91 91.778 10.134 25.890 1.00 0.00 H new ATOM 0 HG11 VAL A 91 93.292 11.915 25.060 1.00 0.00 H new ATOM 0 HG12 VAL A 91 92.713 10.886 23.727 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.006 12.500 23.977 1.00 0.00 H new ATOM 0 HG21 VAL A 91 91.839 12.344 27.033 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.536 12.925 25.970 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.219 11.614 27.131 1.00 0.00 H new ATOM 1415 N LYS A 92 88.483 12.387 24.416 1.00 0.00 N ATOM 1416 CA LYS A 92 87.819 13.550 23.748 1.00 0.00 C ATOM 1417 C LYS A 92 88.604 14.835 24.028 1.00 0.00 C ATOM 1418 O LYS A 92 89.054 15.066 25.136 1.00 0.00 O ATOM 1419 CB LYS A 92 86.425 13.623 24.374 1.00 0.00 C ATOM 1420 CG LYS A 92 85.656 12.338 24.060 1.00 0.00 C ATOM 1421 CD LYS A 92 84.229 12.453 24.598 1.00 0.00 C ATOM 1422 CE LYS A 92 83.509 11.113 24.425 1.00 0.00 C ATOM 1423 NZ LYS A 92 82.088 11.472 24.161 1.00 0.00 N ATOM 0 H LYS A 92 88.076 12.114 25.310 1.00 0.00 H new ATOM 0 HA LYS A 92 87.772 13.436 22.665 1.00 0.00 H new ATOM 0 HB2 LYS A 92 86.506 13.757 25.453 1.00 0.00 H new ATOM 0 HB3 LYS A 92 85.885 14.487 23.985 1.00 0.00 H new ATOM 0 HG2 LYS A 92 85.637 12.166 22.984 1.00 0.00 H new ATOM 0 HG3 LYS A 92 86.158 11.482 24.511 1.00 0.00 H new ATOM 0 HD2 LYS A 92 84.247 12.735 25.651 1.00 0.00 H new ATOM 0 HD3 LYS A 92 83.691 13.238 24.067 1.00 0.00 H new ATOM 0 HE2 LYS A 92 83.932 10.541 23.599 1.00 0.00 H new ATOM 0 HE3 LYS A 92 83.601 10.497 25.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 81.529 10.605 24.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 81.710 12.010 24.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 82.031 12.053 23.300 1.00 0.00 H new ATOM 1437 N LEU A 93 88.767 15.669 23.030 1.00 0.00 N ATOM 1438 CA LEU A 93 89.540 16.935 23.218 1.00 0.00 C ATOM 1439 C LEU A 93 88.580 18.118 23.442 1.00 0.00 C ATOM 1440 O LEU A 93 87.415 18.026 23.109 1.00 0.00 O ATOM 1441 CB LEU A 93 90.325 17.120 21.914 1.00 0.00 C ATOM 1442 CG LEU A 93 91.791 16.736 22.130 1.00 0.00 C ATOM 1443 CD1 LEU A 93 91.977 15.246 21.839 1.00 0.00 C ATOM 1444 CD2 LEU A 93 92.675 17.554 21.186 1.00 0.00 C ATOM 0 H LEU A 93 88.396 15.526 22.090 1.00 0.00 H new ATOM 0 HA LEU A 93 90.197 16.891 24.087 1.00 0.00 H new ATOM 0 HB2 LEU A 93 89.891 16.503 21.127 1.00 0.00 H new ATOM 0 HB3 LEU A 93 90.256 18.156 21.582 1.00 0.00 H new ATOM 0 HG LEU A 93 92.072 16.942 23.163 1.00 0.00 H new ATOM 0 HD11 LEU A 93 93.021 14.973 21.993 1.00 0.00 H new ATOM 0 HD12 LEU A 93 91.347 14.663 22.510 1.00 0.00 H new ATOM 0 HD13 LEU A 93 91.696 15.039 20.806 1.00 0.00 H new ATOM 0 HD21 LEU A 93 93.719 17.282 21.338 1.00 0.00 H new ATOM 0 HD22 LEU A 93 92.393 17.348 20.153 1.00 0.00 H new ATOM 0 HD23 LEU A 93 92.543 18.616 21.393 1.00 0.00 H new ATOM 1456 N PRO A 94 89.089 19.204 24.000 1.00 0.00 N ATOM 1457 CA PRO A 94 88.228 20.389 24.246 1.00 0.00 C ATOM 1458 C PRO A 94 87.674 20.931 22.926 1.00 0.00 C ATOM 1459 O PRO A 94 88.264 20.750 21.876 1.00 0.00 O ATOM 1460 CB PRO A 94 89.163 21.411 24.900 1.00 0.00 C ATOM 1461 CG PRO A 94 90.551 20.926 24.625 1.00 0.00 C ATOM 1462 CD PRO A 94 90.475 19.436 24.446 1.00 0.00 C ATOM 0 HA PRO A 94 87.366 20.156 24.871 1.00 0.00 H new ATOM 0 HB2 PRO A 94 89.007 22.406 24.484 1.00 0.00 H new ATOM 0 HB3 PRO A 94 88.978 21.481 25.972 1.00 0.00 H new ATOM 0 HG2 PRO A 94 90.954 21.401 23.730 1.00 0.00 H new ATOM 0 HG3 PRO A 94 91.218 21.181 25.449 1.00 0.00 H new ATOM 0 HD2 PRO A 94 91.196 19.085 23.708 1.00 0.00 H new ATOM 0 HD3 PRO A 94 90.689 18.910 25.377 1.00 0.00 H new ATOM 1470 N HIS A 95 86.544 21.592 22.977 1.00 0.00 N ATOM 1471 CA HIS A 95 85.944 22.168 21.736 1.00 0.00 C ATOM 1472 C HIS A 95 85.888 23.695 21.840 1.00 0.00 C ATOM 1473 O HIS A 95 86.250 24.267 22.851 1.00 0.00 O ATOM 1474 CB HIS A 95 84.533 21.584 21.666 1.00 0.00 C ATOM 1475 CG HIS A 95 84.507 20.082 21.575 1.00 0.00 C ATOM 1476 ND1 HIS A 95 84.286 19.278 22.681 1.00 0.00 N ATOM 1477 CD2 HIS A 95 84.675 19.224 20.515 1.00 0.00 C ATOM 1478 CE1 HIS A 95 84.326 17.998 22.266 1.00 0.00 C ATOM 1479 NE2 HIS A 95 84.559 17.909 20.954 1.00 0.00 N ATOM 0 H HIS A 95 86.009 21.758 23.830 1.00 0.00 H new ATOM 0 HA HIS A 95 86.526 21.929 20.846 1.00 0.00 H new ATOM 0 HB2 HIS A 95 83.975 21.896 22.549 1.00 0.00 H new ATOM 0 HB3 HIS A 95 84.019 22.001 20.800 1.00 0.00 H new ATOM 0 HD2 HIS A 95 84.868 19.525 19.496 1.00 0.00 H new ATOM 0 HE1 HIS A 95 84.187 17.146 22.915 1.00 0.00 H new ATOM 0 HE2 HIS A 95 84.635 17.060 20.394 1.00 0.00 H new ATOM 1487 N PHE A 96 85.434 24.354 20.800 1.00 0.00 N ATOM 1488 CA PHE A 96 85.370 25.852 20.820 1.00 0.00 C ATOM 1489 C PHE A 96 84.482 26.333 21.975 1.00 0.00 C ATOM 1490 O PHE A 96 84.695 27.396 22.529 1.00 0.00 O ATOM 1491 CB PHE A 96 84.763 26.253 19.471 1.00 0.00 C ATOM 1492 CG PHE A 96 83.352 25.751 19.264 1.00 0.00 C ATOM 1493 CD1 PHE A 96 82.237 26.555 19.676 1.00 0.00 C ATOM 1494 CD2 PHE A 96 83.127 24.471 18.655 1.00 0.00 C ATOM 1495 CE1 PHE A 96 80.898 26.079 19.480 1.00 0.00 C ATOM 1496 CE2 PHE A 96 81.788 23.994 18.459 1.00 0.00 C ATOM 1497 CZ PHE A 96 80.673 24.799 18.872 1.00 0.00 C ATOM 0 H PHE A 96 85.105 23.920 19.938 1.00 0.00 H new ATOM 0 HA PHE A 96 86.353 26.299 20.968 1.00 0.00 H new ATOM 0 HB2 PHE A 96 84.768 27.340 19.390 1.00 0.00 H new ATOM 0 HB3 PHE A 96 85.396 25.871 18.670 1.00 0.00 H new ATOM 0 HD1 PHE A 96 82.406 27.519 20.134 1.00 0.00 H new ATOM 0 HD2 PHE A 96 83.966 23.866 18.344 1.00 0.00 H new ATOM 0 HE1 PHE A 96 80.059 26.684 19.790 1.00 0.00 H new ATOM 0 HE2 PHE A 96 81.619 23.030 18.001 1.00 0.00 H new ATOM 0 HZ PHE A 96 79.665 24.441 18.725 1.00 0.00 H new ATOM 1507 N SER A 97 83.493 25.552 22.335 1.00 0.00 N ATOM 1508 CA SER A 97 82.618 25.923 23.492 1.00 0.00 C ATOM 1509 C SER A 97 83.441 25.980 24.784 1.00 0.00 C ATOM 1510 O SER A 97 83.107 26.698 25.708 1.00 0.00 O ATOM 1511 CB SER A 97 81.563 24.818 23.579 1.00 0.00 C ATOM 1512 OG SER A 97 82.188 23.604 23.973 1.00 0.00 O ATOM 0 H SER A 97 83.253 24.673 21.877 1.00 0.00 H new ATOM 0 HA SER A 97 82.163 26.905 23.358 1.00 0.00 H new ATOM 0 HB2 SER A 97 80.790 25.093 24.297 1.00 0.00 H new ATOM 0 HB3 SER A 97 81.072 24.691 22.614 1.00 0.00 H new ATOM 0 HG SER A 97 81.515 22.894 24.032 1.00 0.00 H new ATOM 1518 N ASN A 98 84.513 25.226 24.850 1.00 0.00 N ATOM 1519 CA ASN A 98 85.370 25.229 26.076 1.00 0.00 C ATOM 1520 C ASN A 98 86.306 26.441 26.064 1.00 0.00 C ATOM 1521 O ASN A 98 86.882 26.778 25.045 1.00 0.00 O ATOM 1522 CB ASN A 98 86.174 23.929 26.006 1.00 0.00 C ATOM 1523 CG ASN A 98 86.995 23.767 27.287 1.00 0.00 C ATOM 1524 OD1 ASN A 98 88.191 23.980 27.287 1.00 0.00 O ATOM 1525 ND2 ASN A 98 86.399 23.393 28.386 1.00 0.00 N ATOM 0 H ASN A 98 84.831 24.607 24.104 1.00 0.00 H new ATOM 0 HA ASN A 98 84.780 25.292 26.990 1.00 0.00 H new ATOM 0 HB2 ASN A 98 85.502 23.080 25.882 1.00 0.00 H new ATOM 0 HB3 ASN A 98 86.833 23.943 25.138 1.00 0.00 H new ATOM 0 HD21 ASN A 98 86.937 23.280 29.245 1.00 0.00 H new ATOM 0 HD22 ASN A 98 85.395 23.214 28.386 1.00 0.00 H new ATOM 1532 N ILE A 99 86.457 27.094 27.190 1.00 0.00 N ATOM 1533 CA ILE A 99 87.326 28.315 27.249 1.00 0.00 C ATOM 1534 C ILE A 99 88.768 27.945 26.877 1.00 0.00 C ATOM 1535 O ILE A 99 89.465 28.712 26.237 1.00 0.00 O ATOM 1536 CB ILE A 99 87.239 28.812 28.702 1.00 0.00 C ATOM 1537 CG1 ILE A 99 85.790 29.189 29.031 1.00 0.00 C ATOM 1538 CG2 ILE A 99 88.128 30.048 28.886 1.00 0.00 C ATOM 1539 CD1 ILE A 99 85.672 29.517 30.521 1.00 0.00 C ATOM 0 H ILE A 99 86.016 26.835 28.073 1.00 0.00 H new ATOM 0 HA ILE A 99 87.006 29.087 26.550 1.00 0.00 H new ATOM 0 HB ILE A 99 87.576 28.017 29.367 1.00 0.00 H new ATOM 0 HG12 ILE A 99 85.482 30.047 28.434 1.00 0.00 H new ATOM 0 HG13 ILE A 99 85.122 28.366 28.775 1.00 0.00 H new ATOM 0 HG21 ILE A 99 88.061 30.394 29.917 1.00 0.00 H new ATOM 0 HG22 ILE A 99 89.162 29.790 28.656 1.00 0.00 H new ATOM 0 HG23 ILE A 99 87.794 30.840 28.215 1.00 0.00 H new ATOM 0 HD11 ILE A 99 84.641 29.785 30.754 1.00 0.00 H new ATOM 0 HD12 ILE A 99 85.963 28.647 31.109 1.00 0.00 H new ATOM 0 HD13 ILE A 99 86.328 30.353 30.762 1.00 0.00 H new ATOM 1551 N LEU A 100 89.213 26.779 27.275 1.00 0.00 N ATOM 1552 CA LEU A 100 90.608 26.346 26.947 1.00 0.00 C ATOM 1553 C LEU A 100 90.611 25.495 25.675 1.00 0.00 C ATOM 1554 O LEU A 100 89.720 24.694 25.454 1.00 0.00 O ATOM 1555 CB LEU A 100 91.068 25.516 28.151 1.00 0.00 C ATOM 1556 CG LEU A 100 91.020 26.366 29.426 1.00 0.00 C ATOM 1557 CD1 LEU A 100 91.397 25.501 30.630 1.00 0.00 C ATOM 1558 CD2 LEU A 100 92.011 27.527 29.309 1.00 0.00 C ATOM 0 H LEU A 100 88.669 26.106 27.815 1.00 0.00 H new ATOM 0 HA LEU A 100 91.269 27.194 26.765 1.00 0.00 H new ATOM 0 HB2 LEU A 100 90.429 24.640 28.264 1.00 0.00 H new ATOM 0 HB3 LEU A 100 92.082 25.152 27.985 1.00 0.00 H new ATOM 0 HG LEU A 100 90.012 26.760 29.558 1.00 0.00 H new ATOM 0 HD11 LEU A 100 91.363 26.105 31.537 1.00 0.00 H new ATOM 0 HD12 LEU A 100 90.693 24.674 30.718 1.00 0.00 H new ATOM 0 HD13 LEU A 100 92.404 25.107 30.494 1.00 0.00 H new ATOM 0 HD21 LEU A 100 91.975 28.129 30.217 1.00 0.00 H new ATOM 0 HD22 LEU A 100 93.019 27.133 29.175 1.00 0.00 H new ATOM 0 HD23 LEU A 100 91.746 28.146 28.452 1.00 0.00 H new ATOM 1570 N GLY A 101 91.608 25.664 24.842 1.00 0.00 N ATOM 1571 CA GLY A 101 91.684 24.871 23.578 1.00 0.00 C ATOM 1572 C GLY A 101 90.871 25.571 22.486 1.00 0.00 C ATOM 1573 O GLY A 101 89.907 24.983 22.025 1.00 0.00 O ATOM 1574 OXT GLY A 101 91.229 26.681 22.129 1.00 0.00 O ATOM 0 H GLY A 101 92.376 26.320 24.985 1.00 0.00 H new ATOM 0 HA2 GLY A 101 92.722 24.767 23.263 1.00 0.00 H new ATOM 0 HA3 GLY A 101 91.299 23.865 23.744 1.00 0.00 H new TER 1578 GLY A 101