USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 636 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 70 ASN : amide:sc= -1.87 K(o=-1.9,f=-2.5!) USER MOD Set 1.2: A 72 THR OG1 : rot -170:sc= 0.00468 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= -0.0548 USER MOD Set 2.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -23:sc= 0.186 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 10 LYS NZ :NH3+ 151:sc= -1.03 (180deg=-1.69!) USER MOD Single : A 12 SER OG : rot 60:sc= 0.28 USER MOD Single : A 16 THR OG1 : rot -29:sc= 0.07 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.08 X(o=-2.1,f=-1.8) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 31 SER OG : rot -17:sc= 0.449! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 45 THR OG1 : rot 169:sc= -0.235 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0703 USER MOD Single : A 49 SER OG : rot 32:sc= 0.00739 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 42:sc= -0.129 USER MOD Single : A 57 ASN : amide:sc= -0.5 K(o=-0.5,f=-2.3!) USER MOD Single : A 58 SER OG : rot 22:sc= 0.83 USER MOD Single : A 61 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-1.8) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.0166 K(o=-0.017,f=-0.93) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 170:sc= -1.32 USER MOD Single : A 84 ASN : amide:sc= -2.09 K(o=-2.1,f=-5.1!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 19:sc= 0.144 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 94 CYS SG : rot -116:sc= 0.303 USER MOD Single : A 95 LYS NZ :NH3+ -139:sc= -0.0807 (180deg=-1.68!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 94:sc= 0.679 USER MOD Single : A 101 CYS SG : rot 180:sc= -0.0138 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -17.365 14.972 20.783 1.00 62.45 N ATOM 47 CA THR A 5 -17.689 13.610 21.189 1.00 2.33 C ATOM 48 C THR A 5 -17.690 12.666 19.991 1.00 43.12 C ATOM 49 O THR A 5 -17.609 13.105 18.844 1.00 32.42 O ATOM 50 CB THR A 5 -19.062 13.542 21.884 1.00 30.32 C ATOM 51 OG1 THR A 5 -20.045 14.221 21.095 1.00 43.41 O ATOM 52 CG2 THR A 5 -18.998 14.164 23.270 1.00 63.44 C ATOM 0 HA THR A 5 -16.919 13.298 21.894 1.00 2.33 H new ATOM 0 HB THR A 5 -19.341 12.493 21.987 1.00 30.32 H new ATOM 0 HG1 THR A 5 -19.602 14.867 20.506 1.00 43.41 H new ATOM 0 HG21 THR A 5 -19.979 14.104 23.741 1.00 63.44 H new ATOM 0 HG22 THR A 5 -18.270 13.625 23.877 1.00 63.44 H new ATOM 0 HG23 THR A 5 -18.699 15.209 23.186 1.00 63.44 H new ATOM 60 N ALA A 6 -17.785 11.370 20.266 1.00 33.31 N ATOM 61 CA ALA A 6 -17.799 10.364 19.211 1.00 2.01 C ATOM 62 C ALA A 6 -18.408 9.057 19.707 1.00 14.30 C ATOM 63 O ALA A 6 -18.539 8.838 20.911 1.00 53.03 O ATOM 64 CB ALA A 6 -16.391 10.128 18.687 1.00 54.51 C ATOM 0 H ALA A 6 -17.853 10.991 21.211 1.00 33.31 H new ATOM 0 HA ALA A 6 -18.419 10.737 18.396 1.00 2.01 H new ATOM 0 HB1 ALA A 6 -16.417 9.374 17.900 1.00 54.51 H new ATOM 0 HB2 ALA A 6 -15.992 11.059 18.285 1.00 54.51 H new ATOM 0 HB3 ALA A 6 -15.754 9.781 19.500 1.00 54.51 H new ATOM 70 N THR A 7 -18.780 8.189 18.770 1.00 51.42 N ATOM 71 CA THR A 7 -19.376 6.904 19.112 1.00 12.52 C ATOM 72 C THR A 7 -18.996 5.834 18.095 1.00 2.21 C ATOM 73 O THR A 7 -18.922 6.102 16.895 1.00 61.22 O ATOM 74 CB THR A 7 -20.911 7.000 19.191 1.00 3.54 C ATOM 75 OG1 THR A 7 -21.309 8.367 19.342 1.00 64.00 O ATOM 76 CG2 THR A 7 -21.446 6.179 20.354 1.00 24.43 C ATOM 0 H THR A 7 -18.679 8.354 17.768 1.00 51.42 H new ATOM 0 HA THR A 7 -18.986 6.625 20.091 1.00 12.52 H new ATOM 0 HB THR A 7 -21.326 6.601 18.265 1.00 3.54 H new ATOM 0 HG1 THR A 7 -22.286 8.420 19.390 1.00 64.00 H new ATOM 0 HG21 THR A 7 -22.532 6.263 20.389 1.00 24.43 H new ATOM 0 HG22 THR A 7 -21.167 5.134 20.221 1.00 24.43 H new ATOM 0 HG23 THR A 7 -21.023 6.551 21.287 1.00 24.43 H new ATOM 84 N PHE A 8 -18.758 4.620 18.581 1.00 4.31 N ATOM 85 CA PHE A 8 -18.386 3.509 17.714 1.00 2.22 C ATOM 86 C PHE A 8 -19.625 2.840 17.125 1.00 51.52 C ATOM 87 O PHE A 8 -20.666 2.756 17.775 1.00 44.31 O ATOM 88 CB PHE A 8 -17.559 2.483 18.491 1.00 15.43 C ATOM 89 CG PHE A 8 -17.288 1.223 17.719 1.00 31.52 C ATOM 90 CD1 PHE A 8 -16.596 1.264 16.520 1.00 11.51 C ATOM 91 CD2 PHE A 8 -17.726 -0.003 18.193 1.00 61.40 C ATOM 92 CE1 PHE A 8 -16.347 0.107 15.808 1.00 10.13 C ATOM 93 CE2 PHE A 8 -17.479 -1.164 17.486 1.00 24.05 C ATOM 94 CZ PHE A 8 -16.788 -1.109 16.291 1.00 71.21 C ATOM 0 H PHE A 8 -18.816 4.381 19.571 1.00 4.31 H new ATOM 0 HA PHE A 8 -17.785 3.905 16.895 1.00 2.22 H new ATOM 0 HB2 PHE A 8 -16.610 2.935 18.778 1.00 15.43 H new ATOM 0 HB3 PHE A 8 -18.082 2.229 19.413 1.00 15.43 H new ATOM 0 HD1 PHE A 8 -16.247 2.212 16.137 1.00 11.51 H new ATOM 0 HD2 PHE A 8 -18.267 -0.052 19.126 1.00 61.40 H new ATOM 0 HE1 PHE A 8 -15.807 0.153 14.874 1.00 10.13 H new ATOM 0 HE2 PHE A 8 -17.826 -2.113 17.867 1.00 24.05 H new ATOM 0 HZ PHE A 8 -16.593 -2.015 15.736 1.00 71.21 H new ATOM 104 N ALA A 9 -19.502 2.366 15.890 1.00 4.31 N ATOM 105 CA ALA A 9 -20.610 1.703 15.213 1.00 44.22 C ATOM 106 C ALA A 9 -20.108 0.601 14.285 1.00 64.15 C ATOM 107 O ALA A 9 -18.924 0.548 13.953 1.00 70.52 O ATOM 108 CB ALA A 9 -21.434 2.716 14.433 1.00 45.53 C ATOM 0 H ALA A 9 -18.647 2.429 15.338 1.00 4.31 H new ATOM 0 HA ALA A 9 -21.242 1.243 15.972 1.00 44.22 H new ATOM 0 HB1 ALA A 9 -22.258 2.207 13.933 1.00 45.53 H new ATOM 0 HB2 ALA A 9 -21.832 3.465 15.117 1.00 45.53 H new ATOM 0 HB3 ALA A 9 -20.803 3.203 13.689 1.00 45.53 H new ATOM 114 N LYS A 10 -21.015 -0.276 13.872 1.00 5.21 N ATOM 115 CA LYS A 10 -20.664 -1.377 12.982 1.00 24.14 C ATOM 116 C LYS A 10 -21.193 -1.127 11.573 1.00 24.15 C ATOM 117 O LYS A 10 -22.059 -0.277 11.364 1.00 74.41 O ATOM 118 CB LYS A 10 -21.225 -2.694 13.523 1.00 20.04 C ATOM 119 CG LYS A 10 -20.226 -3.838 13.493 1.00 72.54 C ATOM 120 CD LYS A 10 -20.481 -4.772 12.322 1.00 21.41 C ATOM 121 CE LYS A 10 -19.228 -5.546 11.943 1.00 62.11 C ATOM 122 NZ LYS A 10 -18.851 -6.538 12.987 1.00 70.32 N ATOM 0 H LYS A 10 -21.999 -0.247 14.139 1.00 5.21 H new ATOM 0 HA LYS A 10 -19.577 -1.443 12.936 1.00 24.14 H new ATOM 0 HB2 LYS A 10 -21.560 -2.542 14.549 1.00 20.04 H new ATOM 0 HB3 LYS A 10 -22.102 -2.973 12.939 1.00 20.04 H new ATOM 0 HG2 LYS A 10 -19.215 -3.437 13.426 1.00 72.54 H new ATOM 0 HG3 LYS A 10 -20.285 -4.398 14.426 1.00 72.54 H new ATOM 0 HD2 LYS A 10 -21.277 -5.470 12.579 1.00 21.41 H new ATOM 0 HD3 LYS A 10 -20.827 -4.195 11.464 1.00 21.41 H new ATOM 0 HE2 LYS A 10 -19.392 -6.060 10.996 1.00 62.11 H new ATOM 0 HE3 LYS A 10 -18.404 -4.850 11.789 1.00 62.11 H new ATOM 0 HZ1 LYS A 10 -18.357 -7.338 12.543 1.00 70.32 H new ATOM 0 HZ2 LYS A 10 -18.224 -6.087 13.684 1.00 70.32 H new ATOM 0 HZ3 LYS A 10 -19.708 -6.882 13.464 1.00 70.32 H new ATOM 136 N THR A 11 -20.668 -1.876 10.607 1.00 71.42 N ATOM 137 CA THR A 11 -21.087 -1.736 9.219 1.00 10.04 C ATOM 138 C THR A 11 -21.542 -3.073 8.645 1.00 11.44 C ATOM 139 O THR A 11 -22.698 -3.230 8.252 1.00 43.32 O ATOM 140 CB THR A 11 -19.951 -1.174 8.343 1.00 73.21 C ATOM 141 OG1 THR A 11 -19.035 -0.427 9.150 1.00 72.13 O ATOM 142 CG2 THR A 11 -20.507 -0.284 7.242 1.00 1.32 C ATOM 0 H THR A 11 -19.952 -2.586 10.762 1.00 71.42 H new ATOM 0 HA THR A 11 -21.923 -1.036 9.210 1.00 10.04 H new ATOM 0 HB THR A 11 -19.428 -2.012 7.882 1.00 73.21 H new ATOM 0 HG1 THR A 11 -18.315 -0.075 8.587 1.00 72.13 H new ATOM 0 HG21 THR A 11 -19.687 0.101 6.636 1.00 1.32 H new ATOM 0 HG22 THR A 11 -21.182 -0.863 6.612 1.00 1.32 H new ATOM 0 HG23 THR A 11 -21.051 0.549 7.687 1.00 1.32 H new ATOM 150 N SER A 12 -20.626 -4.035 8.600 1.00 3.04 N ATOM 151 CA SER A 12 -20.933 -5.358 8.070 1.00 34.24 C ATOM 152 C SER A 12 -19.730 -6.288 8.197 1.00 51.34 C ATOM 153 O SER A 12 -18.598 -5.900 7.904 1.00 42.11 O ATOM 154 CB SER A 12 -21.361 -5.258 6.605 1.00 2.24 C ATOM 155 OG SER A 12 -22.752 -5.489 6.462 1.00 31.42 O ATOM 0 H SER A 12 -19.665 -3.923 8.924 1.00 3.04 H new ATOM 0 HA SER A 12 -21.755 -5.773 8.654 1.00 34.24 H new ATOM 0 HB2 SER A 12 -21.112 -4.270 6.217 1.00 2.24 H new ATOM 0 HB3 SER A 12 -20.806 -5.984 6.011 1.00 2.24 H new ATOM 0 HG SER A 12 -23.249 -4.825 6.984 1.00 31.42 H new ATOM 161 N ASP A 13 -19.982 -7.514 8.637 1.00 35.44 N ATOM 162 CA ASP A 13 -18.921 -8.501 8.803 1.00 53.21 C ATOM 163 C ASP A 13 -19.149 -9.704 7.894 1.00 23.32 C ATOM 164 O ASP A 13 -20.223 -10.306 7.904 1.00 51.31 O ATOM 165 CB ASP A 13 -18.840 -8.956 10.262 1.00 23.01 C ATOM 166 CG ASP A 13 -20.209 -9.193 10.869 1.00 21.42 C ATOM 167 OD1 ASP A 13 -20.803 -10.257 10.595 1.00 2.24 O ATOM 168 OD2 ASP A 13 -20.687 -8.315 11.618 1.00 20.34 O ATOM 0 H ASP A 13 -20.912 -7.850 8.886 1.00 35.44 H new ATOM 0 HA ASP A 13 -17.977 -8.032 8.524 1.00 53.21 H new ATOM 0 HB2 ASP A 13 -18.255 -9.874 10.322 1.00 23.01 H new ATOM 0 HB3 ASP A 13 -18.312 -8.203 10.846 1.00 23.01 H new ATOM 173 N TRP A 14 -18.134 -10.047 7.110 1.00 33.44 N ATOM 174 CA TRP A 14 -18.225 -11.179 6.193 1.00 73.23 C ATOM 175 C TRP A 14 -17.317 -12.319 6.643 1.00 71.11 C ATOM 176 O TRP A 14 -16.137 -12.359 6.297 1.00 62.20 O ATOM 177 CB TRP A 14 -17.853 -10.744 4.775 1.00 70.12 C ATOM 178 CG TRP A 14 -16.596 -9.930 4.714 1.00 4.32 C ATOM 179 CD1 TRP A 14 -15.350 -10.372 4.373 1.00 41.23 C ATOM 180 CD2 TRP A 14 -16.464 -8.534 5.004 1.00 0.32 C ATOM 181 NE1 TRP A 14 -14.451 -9.334 4.433 1.00 31.12 N ATOM 182 CE2 TRP A 14 -15.109 -8.197 4.817 1.00 60.12 C ATOM 183 CE3 TRP A 14 -17.358 -7.537 5.400 1.00 71.35 C ATOM 184 CZ2 TRP A 14 -14.631 -6.904 5.015 1.00 2.42 C ATOM 185 CZ3 TRP A 14 -16.882 -6.254 5.597 1.00 15.11 C ATOM 186 CH2 TRP A 14 -15.528 -5.947 5.403 1.00 23.13 C ATOM 0 H TRP A 14 -17.239 -9.559 7.090 1.00 33.44 H new ATOM 0 HA TRP A 14 -19.255 -11.536 6.198 1.00 73.23 H new ATOM 0 HB2 TRP A 14 -17.735 -11.629 4.150 1.00 70.12 H new ATOM 0 HB3 TRP A 14 -18.674 -10.164 4.353 1.00 70.12 H new ATOM 0 HD1 TRP A 14 -15.107 -11.387 4.097 1.00 41.23 H new ATOM 0 HE1 TRP A 14 -13.455 -9.400 4.225 1.00 31.12 H new ATOM 0 HE3 TRP A 14 -18.403 -7.764 5.550 1.00 71.35 H new ATOM 0 HZ2 TRP A 14 -13.588 -6.665 4.867 1.00 2.42 H new ATOM 0 HZ3 TRP A 14 -17.564 -5.476 5.905 1.00 15.11 H new ATOM 0 HH2 TRP A 14 -15.186 -4.935 5.563 1.00 23.13 H new ATOM 197 N GLY A 15 -17.875 -13.245 7.417 1.00 65.24 N ATOM 198 CA GLY A 15 -17.102 -14.372 7.901 1.00 72.32 C ATOM 199 C GLY A 15 -16.140 -13.983 9.008 1.00 22.44 C ATOM 200 O GLY A 15 -16.493 -14.018 10.188 1.00 5.45 O ATOM 0 H GLY A 15 -18.850 -13.234 7.717 1.00 65.24 H new ATOM 0 HA2 GLY A 15 -17.780 -15.143 8.267 1.00 72.32 H new ATOM 0 HA3 GLY A 15 -16.542 -14.807 7.073 1.00 72.32 H new ATOM 204 N THR A 16 -14.921 -13.614 8.628 1.00 64.50 N ATOM 205 CA THR A 16 -13.906 -13.220 9.597 1.00 70.01 C ATOM 206 C THR A 16 -13.672 -11.714 9.566 1.00 53.14 C ATOM 207 O THR A 16 -13.110 -11.145 10.500 1.00 54.23 O ATOM 208 CB THR A 16 -12.570 -13.941 9.335 1.00 63.42 C ATOM 209 OG1 THR A 16 -11.630 -13.620 10.366 1.00 21.24 O ATOM 210 CG2 THR A 16 -11.999 -13.548 7.981 1.00 31.11 C ATOM 0 H THR A 16 -14.613 -13.580 7.656 1.00 64.50 H new ATOM 0 HA THR A 16 -14.279 -13.507 10.580 1.00 70.01 H new ATOM 0 HB THR A 16 -12.756 -15.015 9.335 1.00 63.42 H new ATOM 0 HG1 THR A 16 -11.823 -12.726 10.718 1.00 21.24 H new ATOM 0 HG21 THR A 16 -11.056 -14.070 7.819 1.00 31.11 H new ATOM 0 HG22 THR A 16 -12.704 -13.820 7.196 1.00 31.11 H new ATOM 0 HG23 THR A 16 -11.827 -12.472 7.957 1.00 31.11 H new ATOM 218 N GLY A 17 -14.108 -11.074 8.485 1.00 21.30 N ATOM 219 CA GLY A 17 -13.937 -9.639 8.354 1.00 2.10 C ATOM 220 C GLY A 17 -15.057 -8.859 9.011 1.00 64.41 C ATOM 221 O GLY A 17 -16.176 -9.357 9.145 1.00 13.33 O ATOM 0 H GLY A 17 -14.576 -11.524 7.698 1.00 21.30 H new ATOM 0 HA2 GLY A 17 -12.986 -9.348 8.799 1.00 2.10 H new ATOM 0 HA3 GLY A 17 -13.888 -9.377 7.297 1.00 2.10 H new ATOM 225 N PHE A 18 -14.759 -7.632 9.426 1.00 10.51 N ATOM 226 CA PHE A 18 -15.749 -6.782 10.076 1.00 23.23 C ATOM 227 C PHE A 18 -15.606 -5.333 9.621 1.00 43.24 C ATOM 228 O PHE A 18 -14.502 -4.863 9.347 1.00 52.21 O ATOM 229 CB PHE A 18 -15.606 -6.868 11.597 1.00 44.31 C ATOM 230 CG PHE A 18 -14.460 -6.061 12.138 1.00 42.22 C ATOM 231 CD1 PHE A 18 -14.638 -4.736 12.503 1.00 63.40 C ATOM 232 CD2 PHE A 18 -13.204 -6.628 12.279 1.00 30.01 C ATOM 233 CE1 PHE A 18 -13.586 -3.992 13.001 1.00 3.44 C ATOM 234 CE2 PHE A 18 -12.148 -5.888 12.777 1.00 11.51 C ATOM 235 CZ PHE A 18 -12.338 -4.568 13.137 1.00 32.22 C ATOM 0 H PHE A 18 -13.839 -7.204 9.323 1.00 10.51 H new ATOM 0 HA PHE A 18 -16.739 -7.137 9.790 1.00 23.23 H new ATOM 0 HB2 PHE A 18 -16.531 -6.526 12.061 1.00 44.31 H new ATOM 0 HB3 PHE A 18 -15.472 -7.911 11.883 1.00 44.31 H new ATOM 0 HD1 PHE A 18 -15.611 -4.280 12.397 1.00 63.40 H new ATOM 0 HD2 PHE A 18 -13.048 -7.659 11.997 1.00 30.01 H new ATOM 0 HE1 PHE A 18 -13.739 -2.961 13.284 1.00 3.44 H new ATOM 0 HE2 PHE A 18 -11.174 -6.342 12.885 1.00 11.51 H new ATOM 0 HZ PHE A 18 -11.513 -3.988 13.524 1.00 32.22 H new ATOM 245 N GLY A 19 -16.731 -4.629 9.542 1.00 70.35 N ATOM 246 CA GLY A 19 -16.710 -3.240 9.120 1.00 12.12 C ATOM 247 C GLY A 19 -16.914 -2.279 10.274 1.00 15.55 C ATOM 248 O GLY A 19 -17.869 -2.410 11.038 1.00 0.12 O ATOM 0 H GLY A 19 -17.657 -4.996 9.763 1.00 70.35 H new ATOM 0 HA2 GLY A 19 -15.757 -3.025 8.637 1.00 12.12 H new ATOM 0 HA3 GLY A 19 -17.489 -3.078 8.375 1.00 12.12 H new ATOM 252 N GLY A 20 -16.012 -1.310 10.402 1.00 30.33 N ATOM 253 CA GLY A 20 -16.115 -0.339 11.475 1.00 73.11 C ATOM 254 C GLY A 20 -16.659 0.994 11.001 1.00 11.54 C ATOM 255 O GLY A 20 -16.397 1.413 9.873 1.00 10.32 O ATOM 0 H GLY A 20 -15.213 -1.181 9.782 1.00 30.33 H new ATOM 0 HA2 GLY A 20 -16.762 -0.734 12.258 1.00 73.11 H new ATOM 0 HA3 GLY A 20 -15.132 -0.189 11.920 1.00 73.11 H new ATOM 259 N SER A 21 -17.420 1.661 11.861 1.00 24.52 N ATOM 260 CA SER A 21 -18.009 2.952 11.522 1.00 14.31 C ATOM 261 C SER A 21 -17.899 3.923 12.693 1.00 3.42 C ATOM 262 O SER A 21 -18.691 3.868 13.634 1.00 51.45 O ATOM 263 CB SER A 21 -19.475 2.779 11.123 1.00 4.22 C ATOM 264 OG SER A 21 -19.655 2.992 9.733 1.00 54.40 O ATOM 0 H SER A 21 -17.644 1.329 12.799 1.00 24.52 H new ATOM 0 HA SER A 21 -17.457 3.365 10.677 1.00 14.31 H new ATOM 0 HB2 SER A 21 -19.811 1.776 11.387 1.00 4.22 H new ATOM 0 HB3 SER A 21 -20.093 3.480 11.684 1.00 4.22 H new ATOM 0 HG SER A 21 -20.600 2.874 9.504 1.00 54.40 H new ATOM 270 N TRP A 22 -16.914 4.811 12.627 1.00 31.12 N ATOM 271 CA TRP A 22 -16.700 5.796 13.681 1.00 13.04 C ATOM 272 C TRP A 22 -17.479 7.075 13.397 1.00 51.22 C ATOM 273 O TRP A 22 -17.552 7.529 12.255 1.00 64.12 O ATOM 274 CB TRP A 22 -15.209 6.112 13.818 1.00 32.35 C ATOM 275 CG TRP A 22 -14.399 4.950 14.311 1.00 21.32 C ATOM 276 CD1 TRP A 22 -13.630 4.110 13.559 1.00 5.55 C ATOM 277 CD2 TRP A 22 -14.281 4.500 15.665 1.00 45.41 C ATOM 278 NE1 TRP A 22 -13.040 3.165 14.363 1.00 10.31 N ATOM 279 CE2 TRP A 22 -13.423 3.384 15.659 1.00 72.24 C ATOM 280 CE3 TRP A 22 -14.814 4.934 16.882 1.00 41.32 C ATOM 281 CZ2 TRP A 22 -13.088 2.696 16.824 1.00 5.04 C ATOM 282 CZ3 TRP A 22 -14.482 4.251 18.036 1.00 53.30 C ATOM 283 CH2 TRP A 22 -13.625 3.142 18.001 1.00 45.30 C ATOM 0 H TRP A 22 -16.251 4.869 11.854 1.00 31.12 H new ATOM 0 HA TRP A 22 -17.062 5.373 14.618 1.00 13.04 H new ATOM 0 HB2 TRP A 22 -14.822 6.431 12.850 1.00 32.35 H new ATOM 0 HB3 TRP A 22 -15.084 6.950 14.504 1.00 32.35 H new ATOM 0 HD1 TRP A 22 -13.504 4.178 12.489 1.00 5.55 H new ATOM 0 HE1 TRP A 22 -12.418 2.421 14.046 1.00 10.31 H new ATOM 0 HE3 TRP A 22 -15.474 5.788 16.920 1.00 41.32 H new ATOM 0 HZ2 TRP A 22 -12.428 1.841 16.799 1.00 5.04 H new ATOM 0 HZ3 TRP A 22 -14.890 4.577 18.981 1.00 53.30 H new ATOM 0 HH2 TRP A 22 -13.384 2.630 18.921 1.00 45.30 H new ATOM 294 N THR A 23 -18.060 7.654 14.444 1.00 41.10 N ATOM 295 CA THR A 23 -18.834 8.881 14.307 1.00 4.22 C ATOM 296 C THR A 23 -18.169 10.036 15.047 1.00 2.23 C ATOM 297 O THR A 23 -17.985 9.984 16.262 1.00 14.22 O ATOM 298 CB THR A 23 -20.268 8.702 14.839 1.00 45.14 C ATOM 299 OG1 THR A 23 -20.846 7.508 14.301 1.00 30.13 O ATOM 300 CG2 THR A 23 -21.134 9.899 14.473 1.00 23.25 C ATOM 0 H THR A 23 -18.009 7.292 15.396 1.00 41.10 H new ATOM 0 HA THR A 23 -18.876 9.112 13.243 1.00 4.22 H new ATOM 0 HB THR A 23 -20.221 8.625 15.925 1.00 45.14 H new ATOM 0 HG1 THR A 23 -21.757 7.401 14.646 1.00 30.13 H new ATOM 0 HG21 THR A 23 -22.142 9.750 14.859 1.00 23.25 H new ATOM 0 HG22 THR A 23 -20.708 10.803 14.909 1.00 23.25 H new ATOM 0 HG23 THR A 23 -21.172 10.002 13.389 1.00 23.25 H new ATOM 308 N VAL A 24 -17.813 11.081 14.305 1.00 12.22 N ATOM 309 CA VAL A 24 -17.170 12.250 14.891 1.00 71.43 C ATOM 310 C VAL A 24 -18.088 13.467 14.836 1.00 52.13 C ATOM 311 O VAL A 24 -18.668 13.774 13.795 1.00 0.43 O ATOM 312 CB VAL A 24 -15.849 12.584 14.174 1.00 1.41 C ATOM 313 CG1 VAL A 24 -15.092 13.669 14.925 1.00 3.52 C ATOM 314 CG2 VAL A 24 -14.995 11.335 14.022 1.00 21.42 C ATOM 0 H VAL A 24 -17.959 11.141 13.297 1.00 12.22 H new ATOM 0 HA VAL A 24 -16.957 12.005 15.932 1.00 71.43 H new ATOM 0 HB VAL A 24 -16.082 12.961 13.178 1.00 1.41 H new ATOM 0 HG11 VAL A 24 -14.161 13.891 14.403 1.00 3.52 H new ATOM 0 HG12 VAL A 24 -15.703 14.570 14.976 1.00 3.52 H new ATOM 0 HG13 VAL A 24 -14.868 13.324 15.935 1.00 3.52 H new ATOM 0 HG21 VAL A 24 -14.065 11.590 13.513 1.00 21.42 H new ATOM 0 HG22 VAL A 24 -14.769 10.926 15.007 1.00 21.42 H new ATOM 0 HG23 VAL A 24 -15.537 10.592 13.437 1.00 21.42 H new ATOM 324 N LYS A 25 -18.214 14.158 15.964 1.00 5.32 N ATOM 325 CA LYS A 25 -19.060 15.343 16.045 1.00 55.42 C ATOM 326 C LYS A 25 -18.376 16.444 16.850 1.00 42.23 C ATOM 327 O LYS A 25 -17.934 16.220 17.976 1.00 4.14 O ATOM 328 CB LYS A 25 -20.406 14.992 16.682 1.00 62.14 C ATOM 329 CG LYS A 25 -21.302 16.196 16.913 1.00 73.11 C ATOM 330 CD LYS A 25 -22.686 15.982 16.324 1.00 42.45 C ATOM 331 CE LYS A 25 -23.604 15.267 17.303 1.00 24.12 C ATOM 332 NZ LYS A 25 -24.844 16.045 17.571 1.00 63.04 N ATOM 0 H LYS A 25 -17.741 13.918 16.835 1.00 5.32 H new ATOM 0 HA LYS A 25 -19.229 15.708 15.032 1.00 55.42 H new ATOM 0 HB2 LYS A 25 -20.927 14.280 16.042 1.00 62.14 H new ATOM 0 HB3 LYS A 25 -20.228 14.494 17.635 1.00 62.14 H new ATOM 0 HG2 LYS A 25 -21.386 16.388 17.983 1.00 73.11 H new ATOM 0 HG3 LYS A 25 -20.848 17.080 16.465 1.00 73.11 H new ATOM 0 HD2 LYS A 25 -23.120 16.944 16.053 1.00 42.45 H new ATOM 0 HD3 LYS A 25 -22.606 15.399 15.407 1.00 42.45 H new ATOM 0 HE2 LYS A 25 -23.869 14.288 16.903 1.00 24.12 H new ATOM 0 HE3 LYS A 25 -23.073 15.096 18.240 1.00 24.12 H new ATOM 0 HZ1 LYS A 25 -25.443 15.524 18.243 1.00 63.04 H new ATOM 0 HZ2 LYS A 25 -24.593 16.969 17.976 1.00 63.04 H new ATOM 0 HZ3 LYS A 25 -25.364 16.187 16.682 1.00 63.04 H new ATOM 346 N ASN A 26 -18.294 17.635 16.264 1.00 60.10 N ATOM 347 CA ASN A 26 -17.666 18.771 16.928 1.00 30.10 C ATOM 348 C ASN A 26 -18.669 19.902 17.137 1.00 43.12 C ATOM 349 O ASN A 26 -19.365 20.310 16.207 1.00 1.22 O ATOM 350 CB ASN A 26 -16.477 19.275 16.106 1.00 32.20 C ATOM 351 CG ASN A 26 -15.334 18.278 16.074 1.00 43.43 C ATOM 352 OD1 ASN A 26 -14.609 18.116 17.055 1.00 60.44 O ATOM 353 ND2 ASN A 26 -15.168 17.606 14.941 1.00 10.12 N ATOM 0 H ASN A 26 -18.654 17.838 15.332 1.00 60.10 H new ATOM 0 HA ASN A 26 -17.311 18.439 17.904 1.00 30.10 H new ATOM 0 HB2 ASN A 26 -16.804 19.482 15.087 1.00 32.20 H new ATOM 0 HB3 ASN A 26 -16.123 20.217 16.524 1.00 32.20 H new ATOM 0 HD21 ASN A 26 -14.415 16.923 14.859 1.00 10.12 H new ATOM 0 HD22 ASN A 26 -15.793 17.773 14.153 1.00 10.12 H new ATOM 360 N THR A 27 -18.738 20.405 18.366 1.00 12.43 N ATOM 361 CA THR A 27 -19.655 21.488 18.698 1.00 74.31 C ATOM 362 C THR A 27 -19.411 22.000 20.113 1.00 11.34 C ATOM 363 O THR A 27 -18.821 21.307 20.942 1.00 45.43 O ATOM 364 CB THR A 27 -21.123 21.038 18.573 1.00 42.12 C ATOM 365 OG1 THR A 27 -21.997 22.117 18.923 1.00 14.01 O ATOM 366 CG2 THR A 27 -21.401 19.841 19.470 1.00 42.44 C ATOM 0 H THR A 27 -18.169 20.079 19.148 1.00 12.43 H new ATOM 0 HA THR A 27 -19.467 22.292 17.986 1.00 74.31 H new ATOM 0 HB THR A 27 -21.304 20.745 17.539 1.00 42.12 H new ATOM 0 HG1 THR A 27 -22.928 21.824 18.839 1.00 14.01 H new ATOM 0 HG21 THR A 27 -22.444 19.542 19.364 1.00 42.44 H new ATOM 0 HG22 THR A 27 -20.755 19.012 19.181 1.00 42.44 H new ATOM 0 HG23 THR A 27 -21.204 20.110 20.508 1.00 42.44 H new ATOM 374 N GLY A 28 -19.870 23.218 20.383 1.00 71.51 N ATOM 375 CA GLY A 28 -19.692 23.802 21.700 1.00 43.51 C ATOM 376 C GLY A 28 -18.450 24.668 21.787 1.00 23.23 C ATOM 377 O GLY A 28 -18.402 25.621 22.566 1.00 52.40 O ATOM 0 H GLY A 28 -20.362 23.811 19.714 1.00 71.51 H new ATOM 0 HA2 GLY A 28 -20.567 24.401 21.950 1.00 43.51 H new ATOM 0 HA3 GLY A 28 -19.629 23.006 22.442 1.00 43.51 H new ATOM 381 N THR A 29 -17.442 24.337 20.987 1.00 4.15 N ATOM 382 CA THR A 29 -16.193 25.089 20.979 1.00 23.32 C ATOM 383 C THR A 29 -16.119 26.019 19.774 1.00 3.04 C ATOM 384 O THR A 29 -16.957 25.952 18.872 1.00 55.43 O ATOM 385 CB THR A 29 -14.972 24.150 20.964 1.00 21.40 C ATOM 386 OG1 THR A 29 -15.400 22.788 21.076 1.00 62.33 O ATOM 387 CG2 THR A 29 -14.020 24.483 22.103 1.00 62.10 C ATOM 0 H THR A 29 -17.466 23.553 20.336 1.00 4.15 H new ATOM 0 HA THR A 29 -16.175 25.682 21.894 1.00 23.32 H new ATOM 0 HB THR A 29 -14.446 24.288 20.019 1.00 21.40 H new ATOM 0 HG1 THR A 29 -14.618 22.197 21.064 1.00 62.33 H new ATOM 0 HG21 THR A 29 -13.165 23.807 22.072 1.00 62.10 H new ATOM 0 HG22 THR A 29 -13.673 25.511 21.999 1.00 62.10 H new ATOM 0 HG23 THR A 29 -14.538 24.370 23.055 1.00 62.10 H new ATOM 395 N THR A 30 -15.112 26.886 19.762 1.00 21.21 N ATOM 396 CA THR A 30 -14.930 27.830 18.666 1.00 73.02 C ATOM 397 C THR A 30 -14.727 27.103 17.342 1.00 72.05 C ATOM 398 O THR A 30 -14.869 25.884 17.265 1.00 34.14 O ATOM 399 CB THR A 30 -13.726 28.757 18.919 1.00 60.53 C ATOM 400 OG1 THR A 30 -13.186 28.515 20.223 1.00 63.22 O ATOM 401 CG2 THR A 30 -14.133 30.218 18.797 1.00 34.22 C ATOM 0 H THR A 30 -14.410 26.954 20.499 1.00 21.21 H new ATOM 0 HA THR A 30 -15.838 28.431 18.612 1.00 73.02 H new ATOM 0 HB THR A 30 -12.967 28.543 18.167 1.00 60.53 H new ATOM 0 HG1 THR A 30 -12.420 29.107 20.375 1.00 63.22 H new ATOM 0 HG21 THR A 30 -13.267 30.854 18.980 1.00 34.22 H new ATOM 0 HG22 THR A 30 -14.516 30.406 17.794 1.00 34.22 H new ATOM 0 HG23 THR A 30 -14.908 30.442 19.530 1.00 34.22 H new ATOM 409 N SER A 31 -14.394 27.860 16.301 1.00 41.15 N ATOM 410 CA SER A 31 -14.175 27.288 14.978 1.00 63.52 C ATOM 411 C SER A 31 -13.192 26.124 15.046 1.00 70.43 C ATOM 412 O SER A 31 -12.096 26.252 15.595 1.00 62.11 O ATOM 413 CB SER A 31 -13.652 28.357 14.017 1.00 55.15 C ATOM 414 OG SER A 31 -12.235 28.358 13.977 1.00 62.32 O ATOM 0 H SER A 31 -14.270 28.871 16.349 1.00 41.15 H new ATOM 0 HA SER A 31 -15.130 26.914 14.608 1.00 63.52 H new ATOM 0 HB2 SER A 31 -14.047 28.176 13.017 1.00 55.15 H new ATOM 0 HB3 SER A 31 -14.011 29.338 14.329 1.00 55.15 H new ATOM 0 HG SER A 31 -11.885 27.878 14.757 1.00 62.32 H new ATOM 420 N LEU A 32 -13.590 24.988 14.485 1.00 31.24 N ATOM 421 CA LEU A 32 -12.745 23.798 14.481 1.00 44.45 C ATOM 422 C LEU A 32 -11.790 23.813 13.292 1.00 41.21 C ATOM 423 O LEU A 32 -11.746 24.780 12.530 1.00 30.34 O ATOM 424 CB LEU A 32 -13.608 22.536 14.441 1.00 3.55 C ATOM 425 CG LEU A 32 -13.095 21.347 15.254 1.00 61.03 C ATOM 426 CD1 LEU A 32 -13.766 21.306 16.618 1.00 31.40 C ATOM 427 CD2 LEU A 32 -13.331 20.045 14.502 1.00 50.02 C ATOM 0 H LEU A 32 -14.493 24.865 14.027 1.00 31.24 H new ATOM 0 HA LEU A 32 -12.155 23.798 15.397 1.00 44.45 H new ATOM 0 HB2 LEU A 32 -14.606 22.791 14.797 1.00 3.55 H new ATOM 0 HB3 LEU A 32 -13.711 22.223 13.402 1.00 3.55 H new ATOM 0 HG LEU A 32 -12.022 21.468 15.402 1.00 61.03 H new ATOM 0 HD11 LEU A 32 -13.389 20.454 17.183 1.00 31.40 H new ATOM 0 HD12 LEU A 32 -13.546 22.226 17.159 1.00 31.40 H new ATOM 0 HD13 LEU A 32 -14.844 21.209 16.490 1.00 31.40 H new ATOM 0 HD21 LEU A 32 -12.960 19.210 15.096 1.00 50.02 H new ATOM 0 HD22 LEU A 32 -14.398 19.917 14.323 1.00 50.02 H new ATOM 0 HD23 LEU A 32 -12.804 20.075 13.548 1.00 50.02 H new ATOM 439 N SER A 33 -11.027 22.736 13.138 1.00 70.13 N ATOM 440 CA SER A 33 -10.071 22.626 12.042 1.00 21.12 C ATOM 441 C SER A 33 -10.013 21.195 11.515 1.00 41.23 C ATOM 442 O SER A 33 -10.171 20.957 10.318 1.00 22.44 O ATOM 443 CB SER A 33 -8.682 23.068 12.504 1.00 42.34 C ATOM 444 OG SER A 33 -8.502 22.825 13.888 1.00 1.23 O ATOM 0 H SER A 33 -11.052 21.927 13.758 1.00 70.13 H new ATOM 0 HA SER A 33 -10.403 23.279 11.235 1.00 21.12 H new ATOM 0 HB2 SER A 33 -7.920 22.534 11.936 1.00 42.34 H new ATOM 0 HB3 SER A 33 -8.548 24.130 12.298 1.00 42.34 H new ATOM 0 HG SER A 33 -7.605 23.115 14.157 1.00 1.23 H new ATOM 450 N SER A 34 -9.783 20.247 12.417 1.00 64.31 N ATOM 451 CA SER A 34 -9.699 18.840 12.044 1.00 22.32 C ATOM 452 C SER A 34 -10.024 17.942 13.234 1.00 51.01 C ATOM 453 O SER A 34 -10.243 18.422 14.346 1.00 30.23 O ATOM 454 CB SER A 34 -8.303 18.515 11.510 1.00 24.15 C ATOM 455 OG SER A 34 -7.470 18.004 12.536 1.00 65.04 O ATOM 0 H SER A 34 -9.651 20.428 13.412 1.00 64.31 H new ATOM 0 HA SER A 34 -10.432 18.653 11.260 1.00 22.32 H new ATOM 0 HB2 SER A 34 -8.380 17.786 10.703 1.00 24.15 H new ATOM 0 HB3 SER A 34 -7.854 19.413 11.087 1.00 24.15 H new ATOM 0 HG SER A 34 -6.584 17.803 12.168 1.00 65.04 H new ATOM 461 N TRP A 35 -10.051 16.636 12.990 1.00 70.42 N ATOM 462 CA TRP A 35 -10.348 15.670 14.042 1.00 24.12 C ATOM 463 C TRP A 35 -9.451 14.443 13.922 1.00 32.41 C ATOM 464 O TRP A 35 -9.371 13.820 12.863 1.00 23.55 O ATOM 465 CB TRP A 35 -11.818 15.250 13.977 1.00 42.45 C ATOM 466 CG TRP A 35 -12.287 14.944 12.587 1.00 64.24 C ATOM 467 CD1 TRP A 35 -12.807 15.827 11.684 1.00 0.21 C ATOM 468 CD2 TRP A 35 -12.282 13.665 11.943 1.00 72.33 C ATOM 469 NE1 TRP A 35 -13.124 15.175 10.518 1.00 24.24 N ATOM 470 CE2 TRP A 35 -12.812 13.848 10.651 1.00 11.05 C ATOM 471 CE3 TRP A 35 -11.880 12.385 12.332 1.00 13.43 C ATOM 472 CZ2 TRP A 35 -12.949 12.796 9.748 1.00 71.23 C ATOM 473 CZ3 TRP A 35 -12.017 11.343 11.435 1.00 33.31 C ATOM 474 CH2 TRP A 35 -12.547 11.554 10.155 1.00 31.33 C ATOM 0 H TRP A 35 -9.871 16.223 12.075 1.00 70.42 H new ATOM 0 HA TRP A 35 -10.155 16.146 15.003 1.00 24.12 H new ATOM 0 HB2 TRP A 35 -11.965 14.371 14.604 1.00 42.45 H new ATOM 0 HB3 TRP A 35 -12.435 16.046 14.394 1.00 42.45 H new ATOM 0 HD1 TRP A 35 -12.948 16.883 11.861 1.00 0.21 H new ATOM 0 HE1 TRP A 35 -13.527 15.609 9.687 1.00 24.24 H new ATOM 0 HE3 TRP A 35 -11.470 12.213 13.316 1.00 13.43 H new ATOM 0 HZ2 TRP A 35 -13.358 12.956 8.761 1.00 71.23 H new ATOM 0 HZ3 TRP A 35 -11.710 10.349 11.725 1.00 33.31 H new ATOM 0 HH2 TRP A 35 -12.640 10.719 9.476 1.00 31.33 H new ATOM 485 N THR A 36 -8.776 14.099 15.015 1.00 42.11 N ATOM 486 CA THR A 36 -7.884 12.947 15.031 1.00 34.41 C ATOM 487 C THR A 36 -8.408 11.860 15.963 1.00 32.33 C ATOM 488 O THR A 36 -8.311 11.975 17.185 1.00 21.34 O ATOM 489 CB THR A 36 -6.462 13.344 15.473 1.00 3.23 C ATOM 490 OG1 THR A 36 -6.058 14.543 14.802 1.00 64.10 O ATOM 491 CG2 THR A 36 -5.472 12.229 15.171 1.00 41.33 C ATOM 0 H THR A 36 -8.831 14.602 15.900 1.00 42.11 H new ATOM 0 HA THR A 36 -7.846 12.562 14.012 1.00 34.41 H new ATOM 0 HB THR A 36 -6.473 13.517 16.549 1.00 3.23 H new ATOM 0 HG1 THR A 36 -5.154 14.790 15.089 1.00 64.10 H new ATOM 0 HG21 THR A 36 -4.475 12.531 15.491 1.00 41.33 H new ATOM 0 HG22 THR A 36 -5.767 11.326 15.706 1.00 41.33 H new ATOM 0 HG23 THR A 36 -5.464 12.030 14.099 1.00 41.33 H new ATOM 499 N VAL A 37 -8.962 10.802 15.377 1.00 53.04 N ATOM 500 CA VAL A 37 -9.499 9.693 16.155 1.00 30.51 C ATOM 501 C VAL A 37 -8.533 8.514 16.171 1.00 21.11 C ATOM 502 O VAL A 37 -8.358 7.829 15.164 1.00 11.44 O ATOM 503 CB VAL A 37 -10.856 9.222 15.599 1.00 31.22 C ATOM 504 CG1 VAL A 37 -10.760 8.967 14.103 1.00 4.54 C ATOM 505 CG2 VAL A 37 -11.329 7.975 16.331 1.00 23.10 C ATOM 0 H VAL A 37 -9.050 10.691 14.367 1.00 53.04 H new ATOM 0 HA VAL A 37 -9.638 10.059 17.172 1.00 30.51 H new ATOM 0 HB VAL A 37 -11.589 10.011 15.763 1.00 31.22 H new ATOM 0 HG11 VAL A 37 -11.728 8.635 13.728 1.00 4.54 H new ATOM 0 HG12 VAL A 37 -10.470 9.887 13.595 1.00 4.54 H new ATOM 0 HG13 VAL A 37 -10.013 8.196 13.912 1.00 4.54 H new ATOM 0 HG21 VAL A 37 -12.289 7.657 15.925 1.00 23.10 H new ATOM 0 HG22 VAL A 37 -10.598 7.177 16.201 1.00 23.10 H new ATOM 0 HG23 VAL A 37 -11.440 8.196 17.393 1.00 23.10 H new ATOM 515 N GLU A 38 -7.909 8.282 17.323 1.00 3.40 N ATOM 516 CA GLU A 38 -6.959 7.185 17.469 1.00 43.24 C ATOM 517 C GLU A 38 -7.278 6.352 18.707 1.00 15.34 C ATOM 518 O GLU A 38 -7.567 6.892 19.774 1.00 44.22 O ATOM 519 CB GLU A 38 -5.531 7.727 17.559 1.00 45.12 C ATOM 520 CG GLU A 38 -5.197 8.342 18.907 1.00 61.31 C ATOM 521 CD GLU A 38 -6.043 9.562 19.218 1.00 34.01 C ATOM 522 OE1 GLU A 38 -6.313 10.349 18.288 1.00 1.50 O ATOM 523 OE2 GLU A 38 -6.435 9.728 20.392 1.00 14.12 O ATOM 0 H GLU A 38 -8.044 8.838 18.167 1.00 3.40 H new ATOM 0 HA GLU A 38 -7.042 6.545 16.590 1.00 43.24 H new ATOM 0 HB2 GLU A 38 -4.831 6.917 17.355 1.00 45.12 H new ATOM 0 HB3 GLU A 38 -5.386 8.477 16.781 1.00 45.12 H new ATOM 0 HG2 GLU A 38 -5.341 7.596 19.688 1.00 61.31 H new ATOM 0 HG3 GLU A 38 -4.144 8.621 18.924 1.00 61.31 H new ATOM 530 N TRP A 39 -7.223 5.034 18.554 1.00 12.31 N ATOM 531 CA TRP A 39 -7.506 4.124 19.659 1.00 43.22 C ATOM 532 C TRP A 39 -6.437 3.043 19.761 1.00 74.12 C ATOM 533 O TRP A 39 -5.597 2.901 18.872 1.00 21.53 O ATOM 534 CB TRP A 39 -8.883 3.483 19.478 1.00 32.21 C ATOM 535 CG TRP A 39 -9.585 3.925 18.230 1.00 4.52 C ATOM 536 CD1 TRP A 39 -10.678 4.740 18.150 1.00 1.52 C ATOM 537 CD2 TRP A 39 -9.244 3.574 16.884 1.00 42.04 C ATOM 538 NE1 TRP A 39 -11.037 4.917 16.835 1.00 13.50 N ATOM 539 CE2 TRP A 39 -10.172 4.213 16.039 1.00 63.41 C ATOM 540 CE3 TRP A 39 -8.243 2.784 16.310 1.00 63.42 C ATOM 541 CZ2 TRP A 39 -10.129 4.084 14.653 1.00 55.20 C ATOM 542 CZ3 TRP A 39 -8.202 2.658 14.935 1.00 32.34 C ATOM 543 CH2 TRP A 39 -9.139 3.305 14.119 1.00 61.04 C ATOM 0 H TRP A 39 -6.985 4.571 17.677 1.00 12.31 H new ATOM 0 HA TRP A 39 -7.501 4.701 20.584 1.00 43.22 H new ATOM 0 HB2 TRP A 39 -8.771 2.399 19.459 1.00 32.21 H new ATOM 0 HB3 TRP A 39 -9.504 3.724 20.341 1.00 32.21 H new ATOM 0 HD1 TRP A 39 -11.186 5.181 18.995 1.00 1.52 H new ATOM 0 HE1 TRP A 39 -11.820 5.481 16.505 1.00 13.50 H new ATOM 0 HE3 TRP A 39 -7.515 2.282 16.930 1.00 63.42 H new ATOM 0 HZ2 TRP A 39 -10.851 4.581 14.022 1.00 55.20 H new ATOM 0 HZ3 TRP A 39 -7.434 2.050 14.481 1.00 32.34 H new ATOM 0 HH2 TRP A 39 -9.079 3.187 13.047 1.00 61.04 H new ATOM 554 N ASP A 40 -6.472 2.283 20.850 1.00 23.44 N ATOM 555 CA ASP A 40 -5.506 1.213 21.069 1.00 3.14 C ATOM 556 C ASP A 40 -6.091 -0.138 20.667 1.00 51.13 C ATOM 557 O ASP A 40 -7.191 -0.499 21.087 1.00 13.55 O ATOM 558 CB ASP A 40 -5.072 1.179 22.534 1.00 11.11 C ATOM 559 CG ASP A 40 -3.598 0.863 22.695 1.00 1.25 C ATOM 560 OD1 ASP A 40 -3.249 -0.336 22.732 1.00 51.34 O ATOM 561 OD2 ASP A 40 -2.794 1.814 22.782 1.00 34.24 O ATOM 0 H ASP A 40 -7.160 2.388 21.596 1.00 23.44 H new ATOM 0 HA ASP A 40 -4.634 1.412 20.445 1.00 3.14 H new ATOM 0 HB2 ASP A 40 -5.286 2.143 22.996 1.00 11.11 H new ATOM 0 HB3 ASP A 40 -5.661 0.432 23.067 1.00 11.11 H new ATOM 566 N PHE A 41 -5.349 -0.879 19.851 1.00 11.25 N ATOM 567 CA PHE A 41 -5.795 -2.189 19.391 1.00 3.22 C ATOM 568 C PHE A 41 -4.912 -3.296 19.961 1.00 63.03 C ATOM 569 O PHE A 41 -4.058 -3.858 19.277 1.00 0.52 O ATOM 570 CB PHE A 41 -5.782 -2.248 17.862 1.00 13.42 C ATOM 571 CG PHE A 41 -7.094 -1.871 17.236 1.00 44.00 C ATOM 572 CD1 PHE A 41 -8.280 -2.414 17.702 1.00 24.25 C ATOM 573 CD2 PHE A 41 -7.142 -0.972 16.183 1.00 50.52 C ATOM 574 CE1 PHE A 41 -9.489 -2.069 17.127 1.00 12.03 C ATOM 575 CE2 PHE A 41 -8.347 -0.622 15.605 1.00 22.23 C ATOM 576 CZ PHE A 41 -9.523 -1.171 16.078 1.00 73.20 C ATOM 0 H PHE A 41 -4.436 -0.595 19.495 1.00 11.25 H new ATOM 0 HA PHE A 41 -6.814 -2.343 19.745 1.00 3.22 H new ATOM 0 HB2 PHE A 41 -5.005 -1.582 17.487 1.00 13.42 H new ATOM 0 HB3 PHE A 41 -5.515 -3.257 17.548 1.00 13.42 H new ATOM 0 HD1 PHE A 41 -8.260 -3.115 18.524 1.00 24.25 H new ATOM 0 HD2 PHE A 41 -6.226 -0.539 15.809 1.00 50.52 H new ATOM 0 HE1 PHE A 41 -10.407 -2.501 17.498 1.00 12.03 H new ATOM 0 HE2 PHE A 41 -8.370 0.080 14.784 1.00 22.23 H new ATOM 0 HZ PHE A 41 -10.467 -0.899 15.629 1.00 73.20 H new ATOM 586 N PRO A 42 -5.123 -3.616 21.247 1.00 13.34 N ATOM 587 CA PRO A 42 -4.357 -4.658 21.938 1.00 44.13 C ATOM 588 C PRO A 42 -4.692 -6.056 21.433 1.00 32.00 C ATOM 589 O PRO A 42 -3.800 -6.842 21.110 1.00 54.05 O ATOM 590 CB PRO A 42 -4.785 -4.501 23.400 1.00 41.42 C ATOM 591 CG PRO A 42 -6.137 -3.880 23.334 1.00 5.44 C ATOM 592 CD PRO A 42 -6.125 -2.988 22.123 1.00 64.11 C ATOM 0 HA PRO A 42 -3.284 -4.548 21.778 1.00 44.13 H new ATOM 0 HB2 PRO A 42 -4.816 -5.464 23.909 1.00 41.42 H new ATOM 0 HB3 PRO A 42 -4.087 -3.872 23.952 1.00 41.42 H new ATOM 0 HG2 PRO A 42 -6.912 -4.641 23.250 1.00 5.44 H new ATOM 0 HG3 PRO A 42 -6.348 -3.308 24.238 1.00 5.44 H new ATOM 0 HD2 PRO A 42 -7.104 -2.944 21.646 1.00 64.11 H new ATOM 0 HD3 PRO A 42 -5.850 -1.965 22.380 1.00 64.11 H new ATOM 600 N THR A 43 -5.984 -6.363 21.364 1.00 71.03 N ATOM 601 CA THR A 43 -6.436 -7.667 20.899 1.00 24.21 C ATOM 602 C THR A 43 -6.233 -7.815 19.395 1.00 70.34 C ATOM 603 O THR A 43 -6.366 -6.851 18.643 1.00 51.05 O ATOM 604 CB THR A 43 -7.923 -7.897 21.229 1.00 43.24 C ATOM 605 OG1 THR A 43 -8.334 -7.015 22.281 1.00 33.34 O ATOM 606 CG2 THR A 43 -8.169 -9.339 21.643 1.00 75.41 C ATOM 0 H THR A 43 -6.736 -5.725 21.625 1.00 71.03 H new ATOM 0 HA THR A 43 -5.836 -8.413 21.420 1.00 24.21 H new ATOM 0 HB THR A 43 -8.508 -7.689 20.333 1.00 43.24 H new ATOM 0 HG1 THR A 43 -9.281 -7.166 22.484 1.00 33.34 H new ATOM 0 HG21 THR A 43 -9.226 -9.477 21.871 1.00 75.41 H new ATOM 0 HG22 THR A 43 -7.884 -10.005 20.829 1.00 75.41 H new ATOM 0 HG23 THR A 43 -7.574 -9.570 22.527 1.00 75.41 H new ATOM 614 N GLY A 44 -5.909 -9.030 18.963 1.00 22.23 N ATOM 615 CA GLY A 44 -5.693 -9.282 17.550 1.00 35.12 C ATOM 616 C GLY A 44 -6.632 -8.483 16.669 1.00 14.23 C ATOM 617 O GLY A 44 -7.784 -8.867 16.468 1.00 4.23 O ATOM 0 H GLY A 44 -5.792 -9.844 19.566 1.00 22.23 H new ATOM 0 HA2 GLY A 44 -4.662 -9.037 17.294 1.00 35.12 H new ATOM 0 HA3 GLY A 44 -5.827 -10.345 17.349 1.00 35.12 H new ATOM 621 N THR A 45 -6.140 -7.366 16.142 1.00 52.40 N ATOM 622 CA THR A 45 -6.944 -6.509 15.279 1.00 32.00 C ATOM 623 C THR A 45 -6.063 -5.698 14.336 1.00 12.44 C ATOM 624 O THR A 45 -4.894 -5.443 14.626 1.00 2.33 O ATOM 625 CB THR A 45 -7.817 -5.545 16.102 1.00 64.41 C ATOM 626 OG1 THR A 45 -7.033 -4.929 17.130 1.00 5.13 O ATOM 627 CG2 THR A 45 -8.993 -6.280 16.727 1.00 22.52 C ATOM 0 H THR A 45 -5.188 -7.034 16.298 1.00 52.40 H new ATOM 0 HA THR A 45 -7.590 -7.165 14.695 1.00 32.00 H new ATOM 0 HB THR A 45 -8.203 -4.778 15.431 1.00 64.41 H new ATOM 0 HG1 THR A 45 -7.538 -4.189 17.527 1.00 5.13 H new ATOM 0 HG21 THR A 45 -9.596 -5.578 17.304 1.00 22.52 H new ATOM 0 HG22 THR A 45 -9.605 -6.723 15.941 1.00 22.52 H new ATOM 0 HG23 THR A 45 -8.623 -7.066 17.385 1.00 22.52 H new ATOM 635 N LYS A 46 -6.631 -5.295 13.204 1.00 52.01 N ATOM 636 CA LYS A 46 -5.898 -4.511 12.216 1.00 64.55 C ATOM 637 C LYS A 46 -6.823 -4.049 11.094 1.00 53.03 C ATOM 638 O LYS A 46 -7.573 -4.844 10.528 1.00 11.30 O ATOM 639 CB LYS A 46 -4.746 -5.332 11.636 1.00 73.33 C ATOM 640 CG LYS A 46 -5.157 -6.722 11.182 1.00 1.42 C ATOM 641 CD LYS A 46 -4.452 -7.802 11.984 1.00 35.45 C ATOM 642 CE LYS A 46 -2.998 -7.950 11.563 1.00 53.00 C ATOM 643 NZ LYS A 46 -2.550 -9.370 11.601 1.00 64.43 N ATOM 0 H LYS A 46 -7.597 -5.498 12.948 1.00 52.01 H new ATOM 0 HA LYS A 46 -5.493 -3.631 12.715 1.00 64.55 H new ATOM 0 HB2 LYS A 46 -4.318 -4.794 10.790 1.00 73.33 H new ATOM 0 HB3 LYS A 46 -3.961 -5.422 12.387 1.00 73.33 H new ATOM 0 HG2 LYS A 46 -6.236 -6.836 11.287 1.00 1.42 H new ATOM 0 HG3 LYS A 46 -4.925 -6.843 10.124 1.00 1.42 H new ATOM 0 HD2 LYS A 46 -4.502 -7.559 13.045 1.00 35.45 H new ATOM 0 HD3 LYS A 46 -4.969 -8.752 11.850 1.00 35.45 H new ATOM 0 HE2 LYS A 46 -2.870 -7.556 10.555 1.00 53.00 H new ATOM 0 HE3 LYS A 46 -2.367 -7.353 12.221 1.00 53.00 H new ATOM 0 HZ1 LYS A 46 -1.554 -9.428 11.307 1.00 64.43 H new ATOM 0 HZ2 LYS A 46 -2.648 -9.739 12.568 1.00 64.43 H new ATOM 0 HZ3 LYS A 46 -3.135 -9.936 10.954 1.00 64.43 H new ATOM 657 N VAL A 47 -6.763 -2.760 10.778 1.00 44.42 N ATOM 658 CA VAL A 47 -7.593 -2.192 9.722 1.00 13.24 C ATOM 659 C VAL A 47 -6.976 -2.434 8.348 1.00 73.23 C ATOM 660 O VAL A 47 -5.957 -1.838 7.998 1.00 74.12 O ATOM 661 CB VAL A 47 -7.798 -0.679 9.920 1.00 50.53 C ATOM 662 CG1 VAL A 47 -8.573 -0.087 8.753 1.00 61.21 C ATOM 663 CG2 VAL A 47 -8.510 -0.406 11.237 1.00 10.31 C ATOM 0 H VAL A 47 -6.148 -2.089 11.238 1.00 44.42 H new ATOM 0 HA VAL A 47 -8.560 -2.692 9.777 1.00 13.24 H new ATOM 0 HB VAL A 47 -6.820 -0.199 9.955 1.00 50.53 H new ATOM 0 HG11 VAL A 47 -8.708 0.983 8.911 1.00 61.21 H new ATOM 0 HG12 VAL A 47 -8.019 -0.250 7.828 1.00 61.21 H new ATOM 0 HG13 VAL A 47 -9.548 -0.569 8.682 1.00 61.21 H new ATOM 0 HG21 VAL A 47 -8.647 0.668 11.361 1.00 10.31 H new ATOM 0 HG22 VAL A 47 -9.483 -0.898 11.233 1.00 10.31 H new ATOM 0 HG23 VAL A 47 -7.911 -0.793 12.061 1.00 10.31 H new ATOM 673 N THR A 48 -7.601 -3.314 7.572 1.00 52.12 N ATOM 674 CA THR A 48 -7.113 -3.637 6.236 1.00 63.45 C ATOM 675 C THR A 48 -7.146 -2.412 5.329 1.00 4.10 C ATOM 676 O THR A 48 -6.156 -2.087 4.673 1.00 24.33 O ATOM 677 CB THR A 48 -7.944 -4.762 5.592 1.00 65.11 C ATOM 678 OG1 THR A 48 -8.497 -5.607 6.608 1.00 1.44 O ATOM 679 CG2 THR A 48 -7.090 -5.590 4.645 1.00 12.13 C ATOM 0 H THR A 48 -8.446 -3.816 7.845 1.00 52.12 H new ATOM 0 HA THR A 48 -6.083 -3.975 6.348 1.00 63.45 H new ATOM 0 HB THR A 48 -8.753 -4.305 5.021 1.00 65.11 H new ATOM 0 HG1 THR A 48 -9.025 -6.319 6.190 1.00 1.44 H new ATOM 0 HG21 THR A 48 -7.698 -6.379 4.202 1.00 12.13 H new ATOM 0 HG22 THR A 48 -6.696 -4.949 3.856 1.00 12.13 H new ATOM 0 HG23 THR A 48 -6.263 -6.037 5.197 1.00 12.13 H new ATOM 687 N SER A 49 -8.290 -1.735 5.297 1.00 71.22 N ATOM 688 CA SER A 49 -8.452 -0.548 4.466 1.00 61.13 C ATOM 689 C SER A 49 -9.370 0.467 5.143 1.00 35.32 C ATOM 690 O SER A 49 -10.213 0.107 5.964 1.00 10.45 O ATOM 691 CB SER A 49 -9.018 -0.930 3.098 1.00 33.12 C ATOM 692 OG SER A 49 -7.978 -1.179 2.168 1.00 10.41 O ATOM 0 H SER A 49 -9.118 -1.988 5.837 1.00 71.22 H new ATOM 0 HA SER A 49 -7.471 -0.093 4.331 1.00 61.13 H new ATOM 0 HB2 SER A 49 -9.644 -1.817 3.195 1.00 33.12 H new ATOM 0 HB3 SER A 49 -9.657 -0.128 2.728 1.00 33.12 H new ATOM 0 HG SER A 49 -7.201 -1.548 2.637 1.00 10.41 H new ATOM 698 N ALA A 50 -9.198 1.736 4.792 1.00 51.43 N ATOM 699 CA ALA A 50 -10.010 2.804 5.363 1.00 5.52 C ATOM 700 C ALA A 50 -10.371 3.844 4.306 1.00 21.43 C ATOM 701 O ALA A 50 -9.572 4.145 3.421 1.00 51.40 O ATOM 702 CB ALA A 50 -9.280 3.460 6.523 1.00 72.25 C ATOM 0 H ALA A 50 -8.503 2.051 4.115 1.00 51.43 H new ATOM 0 HA ALA A 50 -10.936 2.364 5.734 1.00 5.52 H new ATOM 0 HB1 ALA A 50 -9.898 4.255 6.939 1.00 72.25 H new ATOM 0 HB2 ALA A 50 -9.079 2.716 7.294 1.00 72.25 H new ATOM 0 HB3 ALA A 50 -8.338 3.880 6.169 1.00 72.25 H new ATOM 708 N TRP A 51 -11.580 4.386 4.407 1.00 14.41 N ATOM 709 CA TRP A 51 -12.046 5.392 3.460 1.00 5.44 C ATOM 710 C TRP A 51 -12.568 6.626 4.187 1.00 24.44 C ATOM 711 O TRP A 51 -13.150 6.520 5.267 1.00 21.32 O ATOM 712 CB TRP A 51 -13.142 4.809 2.565 1.00 44.25 C ATOM 713 CG TRP A 51 -14.208 4.083 3.328 1.00 54.31 C ATOM 714 CD1 TRP A 51 -15.241 4.640 4.026 1.00 2.13 C ATOM 715 CD2 TRP A 51 -14.342 2.664 3.472 1.00 61.12 C ATOM 716 NE1 TRP A 51 -16.010 3.653 4.595 1.00 12.43 N ATOM 717 CE2 TRP A 51 -15.480 2.433 4.269 1.00 62.23 C ATOM 718 CE3 TRP A 51 -13.613 1.568 3.005 1.00 42.31 C ATOM 719 CZ2 TRP A 51 -15.903 1.150 4.609 1.00 0.42 C ATOM 720 CZ3 TRP A 51 -14.033 0.296 3.342 1.00 1.41 C ATOM 721 CH2 TRP A 51 -15.170 0.094 4.137 1.00 42.44 C ATOM 0 H TRP A 51 -12.254 4.146 5.134 1.00 14.41 H new ATOM 0 HA TRP A 51 -11.201 5.691 2.840 1.00 5.44 H new ATOM 0 HB2 TRP A 51 -13.600 5.615 1.992 1.00 44.25 H new ATOM 0 HB3 TRP A 51 -12.689 4.125 1.847 1.00 44.25 H new ATOM 0 HD1 TRP A 51 -15.426 5.700 4.118 1.00 2.13 H new ATOM 0 HE1 TRP A 51 -16.841 3.805 5.167 1.00 12.43 H new ATOM 0 HE3 TRP A 51 -12.736 1.713 2.391 1.00 42.31 H new ATOM 0 HZ2 TRP A 51 -16.778 0.994 5.223 1.00 0.42 H new ATOM 0 HZ3 TRP A 51 -13.476 -0.558 2.987 1.00 1.41 H new ATOM 0 HH2 TRP A 51 -15.473 -0.913 4.382 1.00 42.44 H new ATOM 732 N ASP A 52 -12.357 7.793 3.591 1.00 1.14 N ATOM 733 CA ASP A 52 -12.808 9.047 4.182 1.00 24.24 C ATOM 734 C ASP A 52 -12.076 9.324 5.492 1.00 21.50 C ATOM 735 O ASP A 52 -12.482 10.187 6.270 1.00 74.03 O ATOM 736 CB ASP A 52 -14.317 9.007 4.425 1.00 23.51 C ATOM 737 CG ASP A 52 -15.007 10.287 3.995 1.00 60.41 C ATOM 738 OD1 ASP A 52 -14.623 11.365 4.495 1.00 1.44 O ATOM 739 OD2 ASP A 52 -15.931 10.210 3.158 1.00 20.00 O ATOM 0 H ASP A 52 -11.876 7.897 2.698 1.00 1.14 H new ATOM 0 HA ASP A 52 -12.582 9.852 3.483 1.00 24.24 H new ATOM 0 HB2 ASP A 52 -14.747 8.166 3.882 1.00 23.51 H new ATOM 0 HB3 ASP A 52 -14.507 8.833 5.484 1.00 23.51 H new ATOM 744 N ALA A 53 -10.998 8.585 5.729 1.00 2.32 N ATOM 745 CA ALA A 53 -10.210 8.751 6.944 1.00 13.44 C ATOM 746 C ALA A 53 -8.937 7.913 6.891 1.00 34.53 C ATOM 747 O ALA A 53 -8.970 6.700 7.107 1.00 0.41 O ATOM 748 CB ALA A 53 -11.038 8.381 8.165 1.00 51.02 C ATOM 0 H ALA A 53 -10.650 7.865 5.096 1.00 2.32 H new ATOM 0 HA ALA A 53 -9.921 9.799 7.020 1.00 13.44 H new ATOM 0 HB1 ALA A 53 -10.437 8.510 9.065 1.00 51.02 H new ATOM 0 HB2 ALA A 53 -11.915 9.026 8.219 1.00 51.02 H new ATOM 0 HB3 ALA A 53 -11.357 7.342 8.087 1.00 51.02 H new ATOM 754 N THR A 54 -7.815 8.564 6.603 1.00 72.41 N ATOM 755 CA THR A 54 -6.532 7.878 6.521 1.00 2.25 C ATOM 756 C THR A 54 -6.176 7.217 7.847 1.00 54.34 C ATOM 757 O THR A 54 -5.632 7.860 8.746 1.00 32.14 O ATOM 758 CB THR A 54 -5.402 8.846 6.122 1.00 70.24 C ATOM 759 OG1 THR A 54 -5.671 9.410 4.834 1.00 0.05 O ATOM 760 CG2 THR A 54 -4.059 8.130 6.097 1.00 25.40 C ATOM 0 H THR A 54 -7.769 9.567 6.422 1.00 72.41 H new ATOM 0 HA THR A 54 -6.632 7.112 5.752 1.00 2.25 H new ATOM 0 HB THR A 54 -5.358 9.643 6.865 1.00 70.24 H new ATOM 0 HG1 THR A 54 -4.949 10.025 4.589 1.00 0.05 H new ATOM 0 HG21 THR A 54 -3.277 8.834 5.813 1.00 25.40 H new ATOM 0 HG22 THR A 54 -3.843 7.727 7.087 1.00 25.40 H new ATOM 0 HG23 THR A 54 -4.094 7.315 5.374 1.00 25.40 H new ATOM 768 N VAL A 55 -6.483 5.929 7.963 1.00 71.21 N ATOM 769 CA VAL A 55 -6.194 5.181 9.181 1.00 15.35 C ATOM 770 C VAL A 55 -4.833 4.497 9.094 1.00 23.31 C ATOM 771 O VAL A 55 -4.638 3.575 8.301 1.00 23.12 O ATOM 772 CB VAL A 55 -7.274 4.118 9.456 1.00 34.35 C ATOM 773 CG1 VAL A 55 -6.937 3.326 10.710 1.00 75.35 C ATOM 774 CG2 VAL A 55 -8.643 4.769 9.579 1.00 54.11 C ATOM 0 H VAL A 55 -6.932 5.382 7.228 1.00 71.21 H new ATOM 0 HA VAL A 55 -6.186 5.899 10.001 1.00 15.35 H new ATOM 0 HB VAL A 55 -7.300 3.426 8.614 1.00 34.35 H new ATOM 0 HG11 VAL A 55 -7.711 2.580 10.888 1.00 75.35 H new ATOM 0 HG12 VAL A 55 -5.976 2.828 10.579 1.00 75.35 H new ATOM 0 HG13 VAL A 55 -6.881 4.002 11.563 1.00 75.35 H new ATOM 0 HG21 VAL A 55 -9.394 4.003 9.773 1.00 54.11 H new ATOM 0 HG22 VAL A 55 -8.633 5.484 10.401 1.00 54.11 H new ATOM 0 HG23 VAL A 55 -8.884 5.287 8.651 1.00 54.11 H new ATOM 784 N THR A 56 -3.894 4.954 9.916 1.00 33.03 N ATOM 785 CA THR A 56 -2.551 4.387 9.933 1.00 44.32 C ATOM 786 C THR A 56 -2.338 3.514 11.165 1.00 4.32 C ATOM 787 O THR A 56 -3.201 3.435 12.037 1.00 63.24 O ATOM 788 CB THR A 56 -1.476 5.490 9.907 1.00 4.22 C ATOM 789 OG1 THR A 56 -0.185 4.910 9.692 1.00 0.14 O ATOM 790 CG2 THR A 56 -1.475 6.275 11.210 1.00 12.35 C ATOM 0 H THR A 56 -4.039 5.715 10.579 1.00 33.03 H new ATOM 0 HA THR A 56 -2.455 3.775 9.036 1.00 44.32 H new ATOM 0 HB THR A 56 -1.707 6.174 9.090 1.00 4.22 H new ATOM 0 HG1 THR A 56 -0.250 4.211 9.008 1.00 0.14 H new ATOM 0 HG21 THR A 56 -0.708 7.048 11.168 1.00 12.35 H new ATOM 0 HG22 THR A 56 -2.450 6.739 11.356 1.00 12.35 H new ATOM 0 HG23 THR A 56 -1.266 5.601 12.041 1.00 12.35 H new ATOM 798 N ASN A 57 -1.183 2.861 11.228 1.00 71.43 N ATOM 799 CA ASN A 57 -0.857 1.993 12.355 1.00 0.40 C ATOM 800 C ASN A 57 0.578 2.223 12.820 1.00 72.11 C ATOM 801 O ASN A 57 1.414 2.722 12.066 1.00 62.54 O ATOM 802 CB ASN A 57 -1.050 0.525 11.968 1.00 43.43 C ATOM 803 CG ASN A 57 0.160 -0.049 11.257 1.00 43.20 C ATOM 804 OD1 ASN A 57 0.844 0.650 10.509 1.00 75.34 O ATOM 805 ND2 ASN A 57 0.429 -1.329 11.487 1.00 60.11 N ATOM 0 H ASN A 57 -0.457 2.916 10.513 1.00 71.43 H new ATOM 0 HA ASN A 57 -1.531 2.237 13.176 1.00 0.40 H new ATOM 0 HB2 ASN A 57 -1.253 -0.061 12.865 1.00 43.43 H new ATOM 0 HB3 ASN A 57 -1.924 0.434 11.323 1.00 43.43 H new ATOM 0 HD21 ASN A 57 1.230 -1.771 11.036 1.00 60.11 H new ATOM 0 HD22 ASN A 57 -0.165 -1.870 12.115 1.00 60.11 H new ATOM 812 N SER A 58 0.856 1.856 14.067 1.00 31.12 N ATOM 813 CA SER A 58 2.188 2.024 14.636 1.00 1.32 C ATOM 814 C SER A 58 2.396 1.087 15.821 1.00 64.12 C ATOM 815 O SER A 58 2.187 1.470 16.972 1.00 32.42 O ATOM 816 CB SER A 58 2.399 3.475 15.073 1.00 71.02 C ATOM 817 OG SER A 58 2.749 4.294 13.972 1.00 44.33 O ATOM 0 H SER A 58 0.176 1.440 14.703 1.00 31.12 H new ATOM 0 HA SER A 58 2.919 1.774 13.867 1.00 1.32 H new ATOM 0 HB2 SER A 58 1.489 3.854 15.537 1.00 71.02 H new ATOM 0 HB3 SER A 58 3.184 3.520 15.828 1.00 71.02 H new ATOM 0 HG SER A 58 2.453 3.868 13.140 1.00 44.33 H new ATOM 823 N GLY A 59 2.808 -0.143 15.531 1.00 22.12 N ATOM 824 CA GLY A 59 3.037 -1.116 16.583 1.00 5.23 C ATOM 825 C GLY A 59 1.747 -1.703 17.120 1.00 74.52 C ATOM 826 O GLY A 59 1.248 -2.701 16.602 1.00 21.01 O ATOM 0 H GLY A 59 2.987 -0.483 14.586 1.00 22.12 H new ATOM 0 HA2 GLY A 59 3.666 -1.919 16.200 1.00 5.23 H new ATOM 0 HA3 GLY A 59 3.585 -0.643 17.398 1.00 5.23 H new ATOM 830 N ASP A 60 1.207 -1.083 18.164 1.00 74.10 N ATOM 831 CA ASP A 60 -0.033 -1.550 18.774 1.00 1.54 C ATOM 832 C ASP A 60 -1.056 -0.422 18.858 1.00 54.03 C ATOM 833 O ASP A 60 -2.135 -0.590 19.426 1.00 44.11 O ATOM 834 CB ASP A 60 0.240 -2.114 20.169 1.00 54.13 C ATOM 835 CG ASP A 60 0.671 -3.567 20.133 1.00 3.23 C ATOM 836 OD1 ASP A 60 1.680 -3.870 19.462 1.00 31.14 O ATOM 837 OD2 ASP A 60 0.000 -4.400 20.775 1.00 30.22 O ATOM 0 H ASP A 60 1.609 -0.256 18.605 1.00 74.10 H new ATOM 0 HA ASP A 60 -0.443 -2.341 18.146 1.00 1.54 H new ATOM 0 HB2 ASP A 60 1.016 -1.520 20.652 1.00 54.13 H new ATOM 0 HB3 ASP A 60 -0.659 -2.020 20.778 1.00 54.13 H new ATOM 842 N HIS A 61 -0.708 0.729 18.291 1.00 75.22 N ATOM 843 CA HIS A 61 -1.596 1.886 18.303 1.00 2.11 C ATOM 844 C HIS A 61 -2.075 2.219 16.893 1.00 75.20 C ATOM 845 O HIS A 61 -1.347 2.027 15.919 1.00 20.15 O ATOM 846 CB HIS A 61 -0.884 3.096 18.911 1.00 10.04 C ATOM 847 CG HIS A 61 -1.705 4.348 18.888 1.00 24.42 C ATOM 848 ND1 HIS A 61 -2.572 4.698 19.902 1.00 52.30 N ATOM 849 CD2 HIS A 61 -1.788 5.337 17.966 1.00 34.44 C ATOM 850 CE1 HIS A 61 -3.152 5.847 19.604 1.00 41.01 C ATOM 851 NE2 HIS A 61 -2.693 6.255 18.435 1.00 41.15 N ATOM 0 H HIS A 61 0.182 0.885 17.818 1.00 75.22 H new ATOM 0 HA HIS A 61 -2.464 1.639 18.914 1.00 2.11 H new ATOM 0 HB2 HIS A 61 -0.613 2.868 19.942 1.00 10.04 H new ATOM 0 HB3 HIS A 61 0.045 3.271 18.369 1.00 10.04 H new ATOM 0 HD1 HIS A 61 -2.739 4.155 20.749 1.00 52.30 H new ATOM 0 HD2 HIS A 61 -1.243 5.392 17.035 1.00 34.44 H new ATOM 0 HE1 HIS A 61 -3.878 6.365 20.213 1.00 41.01 H new ATOM 859 N TRP A 62 -3.302 2.715 16.793 1.00 3.41 N ATOM 860 CA TRP A 62 -3.878 3.073 15.501 1.00 50.11 C ATOM 861 C TRP A 62 -4.522 4.455 15.556 1.00 14.02 C ATOM 862 O TRP A 62 -5.181 4.805 16.535 1.00 2.43 O ATOM 863 CB TRP A 62 -4.913 2.031 15.075 1.00 60.12 C ATOM 864 CG TRP A 62 -4.305 0.732 14.641 1.00 75.11 C ATOM 865 CD1 TRP A 62 -3.704 -0.199 15.439 1.00 73.42 C ATOM 866 CD2 TRP A 62 -4.236 0.223 13.305 1.00 14.44 C ATOM 867 NE1 TRP A 62 -3.266 -1.258 14.680 1.00 52.42 N ATOM 868 CE2 TRP A 62 -3.581 -1.023 13.367 1.00 53.23 C ATOM 869 CE3 TRP A 62 -4.664 0.696 12.062 1.00 24.14 C ATOM 870 CZ2 TRP A 62 -3.345 -1.797 12.235 1.00 14.15 C ATOM 871 CZ3 TRP A 62 -4.430 -0.073 10.938 1.00 72.02 C ATOM 872 CH2 TRP A 62 -3.775 -1.310 11.031 1.00 3.42 C ATOM 0 H TRP A 62 -3.918 2.879 17.590 1.00 3.41 H new ATOM 0 HA TRP A 62 -3.073 3.097 14.766 1.00 50.11 H new ATOM 0 HB2 TRP A 62 -5.594 1.845 15.906 1.00 60.12 H new ATOM 0 HB3 TRP A 62 -5.510 2.435 14.258 1.00 60.12 H new ATOM 0 HD1 TRP A 62 -3.590 -0.115 16.510 1.00 73.42 H new ATOM 0 HE1 TRP A 62 -2.785 -2.084 15.036 1.00 52.42 H new ATOM 0 HE3 TRP A 62 -5.169 1.647 11.981 1.00 24.14 H new ATOM 0 HZ2 TRP A 62 -2.840 -2.749 12.304 1.00 14.15 H new ATOM 0 HZ3 TRP A 62 -4.757 0.284 9.972 1.00 72.02 H new ATOM 0 HH2 TRP A 62 -3.607 -1.889 10.135 1.00 3.42 H new ATOM 883 N THR A 63 -4.327 5.236 14.498 1.00 61.23 N ATOM 884 CA THR A 63 -4.888 6.579 14.427 1.00 15.44 C ATOM 885 C THR A 63 -5.428 6.876 13.033 1.00 3.21 C ATOM 886 O THR A 63 -4.913 6.369 12.036 1.00 60.01 O ATOM 887 CB THR A 63 -3.840 7.646 14.796 1.00 74.11 C ATOM 888 OG1 THR A 63 -4.401 8.955 14.651 1.00 10.32 O ATOM 889 CG2 THR A 63 -2.604 7.517 13.919 1.00 45.13 C ATOM 0 H THR A 63 -3.785 4.961 13.679 1.00 61.23 H new ATOM 0 HA THR A 63 -5.705 6.618 15.147 1.00 15.44 H new ATOM 0 HB THR A 63 -3.546 7.491 15.834 1.00 74.11 H new ATOM 0 HG1 THR A 63 -3.729 9.627 14.889 1.00 10.32 H new ATOM 0 HG21 THR A 63 -1.878 8.281 14.198 1.00 45.13 H new ATOM 0 HG22 THR A 63 -2.162 6.530 14.056 1.00 45.13 H new ATOM 0 HG23 THR A 63 -2.884 7.648 12.874 1.00 45.13 H new ATOM 897 N ALA A 64 -6.468 7.700 12.969 1.00 22.41 N ATOM 898 CA ALA A 64 -7.077 8.066 11.696 1.00 52.12 C ATOM 899 C ALA A 64 -7.316 9.570 11.615 1.00 24.04 C ATOM 900 O ALA A 64 -7.641 10.213 12.613 1.00 62.14 O ATOM 901 CB ALA A 64 -8.383 7.311 11.498 1.00 73.51 C ATOM 0 H ALA A 64 -6.907 8.127 13.785 1.00 22.41 H new ATOM 0 HA ALA A 64 -6.387 7.790 10.899 1.00 52.12 H new ATOM 0 HB1 ALA A 64 -8.826 7.595 10.543 1.00 73.51 H new ATOM 0 HB2 ALA A 64 -8.188 6.239 11.503 1.00 73.51 H new ATOM 0 HB3 ALA A 64 -9.072 7.558 12.306 1.00 73.51 H new ATOM 907 N LYS A 65 -7.153 10.127 10.420 1.00 11.52 N ATOM 908 CA LYS A 65 -7.352 11.555 10.206 1.00 54.31 C ATOM 909 C LYS A 65 -7.987 11.819 8.845 1.00 40.25 C ATOM 910 O LYS A 65 -7.948 10.969 7.957 1.00 22.31 O ATOM 911 CB LYS A 65 -6.017 12.298 10.310 1.00 75.33 C ATOM 912 CG LYS A 65 -5.013 11.898 9.243 1.00 60.41 C ATOM 913 CD LYS A 65 -4.096 10.787 9.729 1.00 23.02 C ATOM 914 CE LYS A 65 -2.728 11.324 10.119 1.00 55.52 C ATOM 915 NZ LYS A 65 -1.714 10.239 10.218 1.00 14.21 N ATOM 0 H LYS A 65 -6.883 9.610 9.583 1.00 11.52 H new ATOM 0 HA LYS A 65 -8.027 11.922 10.979 1.00 54.31 H new ATOM 0 HB2 LYS A 65 -6.201 13.370 10.240 1.00 75.33 H new ATOM 0 HB3 LYS A 65 -5.583 12.113 11.293 1.00 75.33 H new ATOM 0 HG2 LYS A 65 -5.542 11.569 8.349 1.00 60.41 H new ATOM 0 HG3 LYS A 65 -4.417 12.765 8.960 1.00 60.41 H new ATOM 0 HD2 LYS A 65 -4.550 10.288 10.585 1.00 23.02 H new ATOM 0 HD3 LYS A 65 -3.984 10.037 8.946 1.00 23.02 H new ATOM 0 HE2 LYS A 65 -2.403 12.059 9.382 1.00 55.52 H new ATOM 0 HE3 LYS A 65 -2.800 11.842 11.075 1.00 55.52 H new ATOM 0 HZ1 LYS A 65 -0.795 10.646 10.486 1.00 14.21 H new ATOM 0 HZ2 LYS A 65 -2.011 9.551 10.939 1.00 14.21 H new ATOM 0 HZ3 LYS A 65 -1.626 9.761 9.299 1.00 14.21 H new ATOM 929 N ASN A 66 -8.568 13.004 8.688 1.00 24.42 N ATOM 930 CA ASN A 66 -9.211 13.380 7.434 1.00 1.24 C ATOM 931 C ASN A 66 -8.759 14.766 6.985 1.00 20.30 C ATOM 932 O ASN A 66 -8.330 14.952 5.846 1.00 73.24 O ATOM 933 CB ASN A 66 -10.733 13.352 7.589 1.00 44.01 C ATOM 934 CG ASN A 66 -11.452 13.682 6.295 1.00 21.32 C ATOM 935 OD1 ASN A 66 -12.013 14.768 6.143 1.00 23.54 O ATOM 936 ND2 ASN A 66 -11.437 12.745 5.354 1.00 61.32 N ATOM 0 H ASN A 66 -8.607 13.720 9.413 1.00 24.42 H new ATOM 0 HA ASN A 66 -8.917 12.658 6.673 1.00 1.24 H new ATOM 0 HB2 ASN A 66 -11.042 12.365 7.932 1.00 44.01 H new ATOM 0 HB3 ASN A 66 -11.030 14.064 8.359 1.00 44.01 H new ATOM 0 HD21 ASN A 66 -11.903 12.911 4.462 1.00 61.32 H new ATOM 0 HD22 ASN A 66 -10.960 11.860 5.523 1.00 61.32 H new ATOM 943 N VAL A 67 -8.859 15.736 7.889 1.00 11.45 N ATOM 944 CA VAL A 67 -8.459 17.105 7.587 1.00 2.24 C ATOM 945 C VAL A 67 -7.096 17.425 8.191 1.00 4.34 C ATOM 946 O VAL A 67 -6.871 18.526 8.692 1.00 20.33 O ATOM 947 CB VAL A 67 -9.492 18.121 8.111 1.00 32.32 C ATOM 948 CG1 VAL A 67 -9.657 19.270 7.129 1.00 64.32 C ATOM 949 CG2 VAL A 67 -10.825 17.435 8.373 1.00 50.33 C ATOM 0 H VAL A 67 -9.213 15.599 8.836 1.00 11.45 H new ATOM 0 HA VAL A 67 -8.400 17.185 6.502 1.00 2.24 H new ATOM 0 HB VAL A 67 -9.129 18.531 9.053 1.00 32.32 H new ATOM 0 HG11 VAL A 67 -10.390 19.977 7.516 1.00 64.32 H new ATOM 0 HG12 VAL A 67 -8.700 19.775 6.996 1.00 64.32 H new ATOM 0 HG13 VAL A 67 -9.999 18.882 6.169 1.00 64.32 H new ATOM 0 HG21 VAL A 67 -11.544 18.166 8.743 1.00 50.33 H new ATOM 0 HG22 VAL A 67 -11.197 16.997 7.447 1.00 50.33 H new ATOM 0 HG23 VAL A 67 -10.690 16.650 9.117 1.00 50.33 H new ATOM 959 N GLY A 68 -6.189 16.454 8.139 1.00 40.44 N ATOM 960 CA GLY A 68 -4.859 16.653 8.684 1.00 41.11 C ATOM 961 C GLY A 68 -3.952 17.415 7.737 1.00 64.44 C ATOM 962 O GLY A 68 -2.782 17.648 8.042 1.00 43.35 O ATOM 0 H GLY A 68 -6.352 15.534 7.730 1.00 40.44 H new ATOM 0 HA2 GLY A 68 -4.933 17.196 9.626 1.00 41.11 H new ATOM 0 HA3 GLY A 68 -4.413 15.684 8.908 1.00 41.11 H new ATOM 966 N TRP A 69 -4.492 17.803 6.588 1.00 2.35 N ATOM 967 CA TRP A 69 -3.722 18.542 5.593 1.00 21.33 C ATOM 968 C TRP A 69 -4.282 19.947 5.407 1.00 44.51 C ATOM 969 O TRP A 69 -3.589 20.842 4.926 1.00 13.42 O ATOM 970 CB TRP A 69 -3.727 17.796 4.257 1.00 71.34 C ATOM 971 CG TRP A 69 -5.031 17.119 3.959 1.00 40.34 C ATOM 972 CD1 TRP A 69 -5.357 15.819 4.217 1.00 63.33 C ATOM 973 CD2 TRP A 69 -6.181 17.709 3.345 1.00 4.21 C ATOM 974 NE1 TRP A 69 -6.642 15.564 3.801 1.00 41.24 N ATOM 975 CE2 TRP A 69 -7.169 16.709 3.262 1.00 33.30 C ATOM 976 CE3 TRP A 69 -6.475 18.986 2.859 1.00 13.11 C ATOM 977 CZ2 TRP A 69 -8.425 16.947 2.712 1.00 22.41 C ATOM 978 CZ3 TRP A 69 -7.723 19.220 2.313 1.00 52.42 C ATOM 979 CH2 TRP A 69 -8.685 18.205 2.244 1.00 2.11 C ATOM 0 H TRP A 69 -5.459 17.619 6.322 1.00 2.35 H new ATOM 0 HA TRP A 69 -2.696 18.624 5.951 1.00 21.33 H new ATOM 0 HB2 TRP A 69 -3.499 18.499 3.456 1.00 71.34 H new ATOM 0 HB3 TRP A 69 -2.932 17.051 4.262 1.00 71.34 H new ATOM 0 HD1 TRP A 69 -4.701 15.097 4.680 1.00 63.33 H new ATOM 0 HE1 TRP A 69 -7.125 14.669 3.880 1.00 41.24 H new ATOM 0 HE3 TRP A 69 -5.740 19.776 2.909 1.00 13.11 H new ATOM 0 HZ2 TRP A 69 -9.168 16.165 2.657 1.00 22.41 H new ATOM 0 HZ3 TRP A 69 -7.960 20.203 1.933 1.00 52.42 H new ATOM 0 HH2 TRP A 69 -9.651 18.420 1.813 1.00 2.11 H new ATOM 990 N ASN A 70 -5.540 20.135 5.791 1.00 34.12 N ATOM 991 CA ASN A 70 -6.192 21.433 5.666 1.00 44.12 C ATOM 992 C ASN A 70 -6.538 22.003 7.038 1.00 43.21 C ATOM 993 O ASN A 70 -6.318 23.184 7.305 1.00 1.24 O ATOM 994 CB ASN A 70 -7.460 21.311 4.818 1.00 31.42 C ATOM 995 CG ASN A 70 -8.424 22.458 5.048 1.00 61.24 C ATOM 996 OD1 ASN A 70 -9.616 22.248 5.273 1.00 2.44 O ATOM 997 ND2 ASN A 70 -7.909 23.682 4.994 1.00 63.31 N ATOM 0 H ASN A 70 -6.129 19.405 6.192 1.00 34.12 H new ATOM 0 HA ASN A 70 -5.498 22.114 5.174 1.00 44.12 H new ATOM 0 HB2 ASN A 70 -7.186 21.277 3.764 1.00 31.42 H new ATOM 0 HB3 ASN A 70 -7.959 20.370 5.049 1.00 31.42 H new ATOM 0 HD21 ASN A 70 -8.508 24.494 5.142 1.00 63.31 H new ATOM 0 HD22 ASN A 70 -6.915 23.809 4.805 1.00 63.31 H new ATOM 1004 N GLY A 71 -7.080 21.155 7.906 1.00 34.30 N ATOM 1005 CA GLY A 71 -7.447 21.592 9.240 1.00 61.32 C ATOM 1006 C GLY A 71 -8.279 22.859 9.227 1.00 31.12 C ATOM 1007 O GLY A 71 -7.911 23.859 9.845 1.00 25.32 O ATOM 0 H GLY A 71 -7.272 20.173 7.709 1.00 34.30 H new ATOM 0 HA2 GLY A 71 -8.006 20.799 9.738 1.00 61.32 H new ATOM 0 HA3 GLY A 71 -6.543 21.761 9.825 1.00 61.32 H new ATOM 1011 N THR A 72 -9.404 22.818 8.519 1.00 64.43 N ATOM 1012 CA THR A 72 -10.290 23.973 8.426 1.00 35.03 C ATOM 1013 C THR A 72 -11.749 23.541 8.345 1.00 31.23 C ATOM 1014 O THR A 72 -12.252 23.214 7.269 1.00 14.01 O ATOM 1015 CB THR A 72 -9.953 24.840 7.198 1.00 42.10 C ATOM 1016 OG1 THR A 72 -8.608 25.320 7.291 1.00 14.14 O ATOM 1017 CG2 THR A 72 -10.910 26.017 7.089 1.00 64.30 C ATOM 0 H THR A 72 -9.723 21.999 8.002 1.00 64.43 H new ATOM 0 HA THR A 72 -10.139 24.562 9.330 1.00 35.03 H new ATOM 0 HB THR A 72 -10.057 24.223 6.305 1.00 42.10 H new ATOM 0 HG1 THR A 72 -8.452 25.993 6.596 1.00 14.14 H new ATOM 0 HG21 THR A 72 -10.653 26.615 6.215 1.00 64.30 H new ATOM 0 HG22 THR A 72 -11.931 25.648 6.989 1.00 64.30 H new ATOM 0 HG23 THR A 72 -10.833 26.633 7.985 1.00 64.30 H new ATOM 1025 N LEU A 73 -12.426 23.541 9.487 1.00 51.35 N ATOM 1026 CA LEU A 73 -13.829 23.151 9.546 1.00 24.54 C ATOM 1027 C LEU A 73 -14.617 24.080 10.464 1.00 31.43 C ATOM 1028 O LEU A 73 -14.043 24.767 11.309 1.00 10.13 O ATOM 1029 CB LEU A 73 -13.958 21.706 10.032 1.00 72.10 C ATOM 1030 CG LEU A 73 -15.329 21.055 9.851 1.00 72.14 C ATOM 1031 CD1 LEU A 73 -15.188 19.680 9.217 1.00 11.52 C ATOM 1032 CD2 LEU A 73 -16.054 20.956 11.186 1.00 51.34 C ATOM 0 H LEU A 73 -12.025 23.807 10.386 1.00 51.35 H new ATOM 0 HA LEU A 73 -14.243 23.229 8.541 1.00 24.54 H new ATOM 0 HB2 LEU A 73 -13.219 21.100 9.507 1.00 72.10 H new ATOM 0 HB3 LEU A 73 -13.701 21.676 11.091 1.00 72.10 H new ATOM 0 HG LEU A 73 -15.921 21.682 9.184 1.00 72.14 H new ATOM 0 HD11 LEU A 73 -16.174 19.232 9.096 1.00 11.52 H new ATOM 0 HD12 LEU A 73 -14.711 19.776 8.242 1.00 11.52 H new ATOM 0 HD13 LEU A 73 -14.577 19.045 9.858 1.00 11.52 H new ATOM 0 HD21 LEU A 73 -17.028 20.490 11.037 1.00 51.34 H new ATOM 0 HD22 LEU A 73 -15.465 20.352 11.876 1.00 51.34 H new ATOM 0 HD23 LEU A 73 -16.189 21.955 11.602 1.00 51.34 H new ATOM 1044 N ALA A 74 -15.935 24.094 10.294 1.00 50.10 N ATOM 1045 CA ALA A 74 -16.802 24.936 11.110 1.00 52.23 C ATOM 1046 C ALA A 74 -16.801 24.476 12.564 1.00 62.13 C ATOM 1047 O ALA A 74 -16.423 23.349 12.884 1.00 41.12 O ATOM 1048 CB ALA A 74 -18.217 24.932 10.554 1.00 45.21 C ATOM 0 H ALA A 74 -16.426 23.532 9.599 1.00 50.10 H new ATOM 0 HA ALA A 74 -16.414 25.954 11.078 1.00 52.23 H new ATOM 0 HB1 ALA A 74 -18.853 25.565 11.173 1.00 45.21 H new ATOM 0 HB2 ALA A 74 -18.208 25.315 9.533 1.00 45.21 H new ATOM 0 HB3 ALA A 74 -18.606 23.914 10.556 1.00 45.21 H new ATOM 1054 N PRO A 75 -17.234 25.368 13.467 1.00 62.12 N ATOM 1055 CA PRO A 75 -17.294 25.077 14.903 1.00 20.03 C ATOM 1056 C PRO A 75 -18.377 24.059 15.243 1.00 62.21 C ATOM 1057 O PRO A 75 -18.344 23.433 16.302 1.00 3.53 O ATOM 1058 CB PRO A 75 -17.622 26.435 15.528 1.00 13.41 C ATOM 1059 CG PRO A 75 -18.317 27.190 14.448 1.00 63.25 C ATOM 1060 CD PRO A 75 -17.701 26.730 13.157 1.00 51.55 C ATOM 0 HA PRO A 75 -16.366 24.638 15.268 1.00 20.03 H new ATOM 0 HB2 PRO A 75 -18.258 26.324 16.406 1.00 13.41 H new ATOM 0 HB3 PRO A 75 -16.718 26.950 15.853 1.00 13.41 H new ATOM 0 HG2 PRO A 75 -19.389 26.992 14.461 1.00 63.25 H new ATOM 0 HG3 PRO A 75 -18.190 28.265 14.580 1.00 63.25 H new ATOM 0 HD2 PRO A 75 -18.426 26.730 12.343 1.00 51.55 H new ATOM 0 HD3 PRO A 75 -16.879 27.377 12.851 1.00 51.55 H new ATOM 1068 N GLY A 76 -19.338 23.898 14.338 1.00 52.22 N ATOM 1069 CA GLY A 76 -20.417 22.955 14.561 1.00 22.35 C ATOM 1070 C GLY A 76 -20.713 22.111 13.337 1.00 52.42 C ATOM 1071 O GLY A 76 -21.122 22.633 12.299 1.00 71.54 O ATOM 0 H GLY A 76 -19.388 24.405 13.454 1.00 52.22 H new ATOM 0 HA2 GLY A 76 -20.158 22.302 15.395 1.00 22.35 H new ATOM 0 HA3 GLY A 76 -21.317 23.499 14.850 1.00 22.35 H new ATOM 1075 N ALA A 77 -20.504 20.805 13.456 1.00 11.32 N ATOM 1076 CA ALA A 77 -20.751 19.887 12.350 1.00 74.42 C ATOM 1077 C ALA A 77 -20.484 18.444 12.764 1.00 61.44 C ATOM 1078 O ALA A 77 -19.976 18.185 13.855 1.00 13.43 O ATOM 1079 CB ALA A 77 -19.891 20.262 11.152 1.00 62.20 C ATOM 0 H ALA A 77 -20.164 20.358 14.307 1.00 11.32 H new ATOM 0 HA ALA A 77 -21.801 19.968 12.070 1.00 74.42 H new ATOM 0 HB1 ALA A 77 -20.085 19.569 10.334 1.00 62.20 H new ATOM 0 HB2 ALA A 77 -20.133 21.276 10.834 1.00 62.20 H new ATOM 0 HB3 ALA A 77 -18.838 20.210 11.429 1.00 62.20 H new ATOM 1085 N SER A 78 -20.832 17.508 11.887 1.00 71.30 N ATOM 1086 CA SER A 78 -20.634 16.090 12.164 1.00 2.25 C ATOM 1087 C SER A 78 -20.065 15.372 10.944 1.00 53.33 C ATOM 1088 O SER A 78 -20.564 15.528 9.828 1.00 70.34 O ATOM 1089 CB SER A 78 -21.956 15.441 12.580 1.00 73.51 C ATOM 1090 OG SER A 78 -22.918 15.533 11.545 1.00 71.14 O ATOM 0 H SER A 78 -21.252 17.706 10.979 1.00 71.30 H new ATOM 0 HA SER A 78 -19.919 16.001 12.982 1.00 2.25 H new ATOM 0 HB2 SER A 78 -21.787 14.394 12.831 1.00 73.51 H new ATOM 0 HB3 SER A 78 -22.336 15.927 13.478 1.00 73.51 H new ATOM 0 HG SER A 78 -23.753 15.109 11.836 1.00 71.14 H new ATOM 1096 N VAL A 79 -19.017 14.585 11.163 1.00 31.41 N ATOM 1097 CA VAL A 79 -18.379 13.842 10.083 1.00 31.43 C ATOM 1098 C VAL A 79 -18.094 12.403 10.500 1.00 51.43 C ATOM 1099 O VAL A 79 -17.320 12.156 11.425 1.00 72.11 O ATOM 1100 CB VAL A 79 -17.062 14.509 9.645 1.00 11.14 C ATOM 1101 CG1 VAL A 79 -16.513 13.836 8.395 1.00 74.55 C ATOM 1102 CG2 VAL A 79 -17.271 15.998 9.410 1.00 12.03 C ATOM 0 H VAL A 79 -18.591 14.445 12.079 1.00 31.41 H new ATOM 0 HA VAL A 79 -19.074 13.843 9.244 1.00 31.43 H new ATOM 0 HB VAL A 79 -16.331 14.390 10.445 1.00 11.14 H new ATOM 0 HG11 VAL A 79 -15.582 14.320 8.100 1.00 74.55 H new ATOM 0 HG12 VAL A 79 -16.324 12.783 8.602 1.00 74.55 H new ATOM 0 HG13 VAL A 79 -17.239 13.922 7.587 1.00 74.55 H new ATOM 0 HG21 VAL A 79 -16.330 16.453 9.101 1.00 12.03 H new ATOM 0 HG22 VAL A 79 -18.017 16.142 8.629 1.00 12.03 H new ATOM 0 HG23 VAL A 79 -17.616 16.467 10.332 1.00 12.03 H new ATOM 1112 N SER A 80 -18.722 11.457 9.810 1.00 61.11 N ATOM 1113 CA SER A 80 -18.538 10.042 10.110 1.00 44.24 C ATOM 1114 C SER A 80 -17.764 9.347 8.996 1.00 0.34 C ATOM 1115 O SER A 80 -18.043 9.544 7.813 1.00 5.23 O ATOM 1116 CB SER A 80 -19.894 9.361 10.307 1.00 10.13 C ATOM 1117 OG SER A 80 -20.676 10.050 11.267 1.00 21.14 O ATOM 0 H SER A 80 -19.363 11.645 9.039 1.00 61.11 H new ATOM 0 HA SER A 80 -17.962 9.963 11.032 1.00 44.24 H new ATOM 0 HB2 SER A 80 -20.428 9.325 9.357 1.00 10.13 H new ATOM 0 HB3 SER A 80 -19.744 8.330 10.628 1.00 10.13 H new ATOM 0 HG SER A 80 -21.590 9.697 11.259 1.00 21.14 H new ATOM 1123 N PHE A 81 -16.788 8.531 9.381 1.00 32.34 N ATOM 1124 CA PHE A 81 -15.972 7.805 8.415 1.00 52.15 C ATOM 1125 C PHE A 81 -16.044 6.302 8.662 1.00 15.11 C ATOM 1126 O PHE A 81 -16.159 5.853 9.802 1.00 52.00 O ATOM 1127 CB PHE A 81 -14.518 8.276 8.490 1.00 14.21 C ATOM 1128 CG PHE A 81 -13.786 7.774 9.702 1.00 51.12 C ATOM 1129 CD1 PHE A 81 -13.154 6.542 9.686 1.00 12.45 C ATOM 1130 CD2 PHE A 81 -13.731 8.536 10.859 1.00 30.04 C ATOM 1131 CE1 PHE A 81 -12.481 6.078 10.800 1.00 20.42 C ATOM 1132 CE2 PHE A 81 -13.059 8.077 11.977 1.00 5.33 C ATOM 1133 CZ PHE A 81 -12.432 6.847 11.946 1.00 21.52 C ATOM 0 H PHE A 81 -16.543 8.356 10.356 1.00 32.34 H new ATOM 0 HA PHE A 81 -16.364 8.010 7.419 1.00 52.15 H new ATOM 0 HB2 PHE A 81 -13.991 7.946 7.595 1.00 14.21 H new ATOM 0 HB3 PHE A 81 -14.497 9.366 8.488 1.00 14.21 H new ATOM 0 HD1 PHE A 81 -13.188 5.937 8.792 1.00 12.45 H new ATOM 0 HD2 PHE A 81 -14.219 9.499 10.887 1.00 30.04 H new ATOM 0 HE1 PHE A 81 -11.994 5.115 10.775 1.00 20.42 H new ATOM 0 HE2 PHE A 81 -13.025 8.679 12.873 1.00 5.33 H new ATOM 0 HZ PHE A 81 -11.904 6.487 12.817 1.00 21.52 H new ATOM 1143 N GLY A 82 -15.976 5.527 7.584 1.00 4.24 N ATOM 1144 CA GLY A 82 -16.037 4.082 7.703 1.00 20.44 C ATOM 1145 C GLY A 82 -14.756 3.409 7.251 1.00 73.41 C ATOM 1146 O GLY A 82 -13.853 4.063 6.729 1.00 62.41 O ATOM 0 H GLY A 82 -15.880 5.874 6.630 1.00 4.24 H new ATOM 0 HA2 GLY A 82 -16.238 3.814 8.740 1.00 20.44 H new ATOM 0 HA3 GLY A 82 -16.870 3.706 7.109 1.00 20.44 H new ATOM 1150 N PHE A 83 -14.675 2.098 7.455 1.00 2.24 N ATOM 1151 CA PHE A 83 -13.494 1.336 7.067 1.00 73.22 C ATOM 1152 C PHE A 83 -13.743 -0.163 7.210 1.00 32.11 C ATOM 1153 O PHE A 83 -14.829 -0.588 7.598 1.00 23.20 O ATOM 1154 CB PHE A 83 -12.293 1.748 7.921 1.00 52.24 C ATOM 1155 CG PHE A 83 -12.315 1.170 9.307 1.00 33.43 C ATOM 1156 CD1 PHE A 83 -12.991 1.814 10.330 1.00 31.43 C ATOM 1157 CD2 PHE A 83 -11.660 -0.019 9.586 1.00 54.10 C ATOM 1158 CE1 PHE A 83 -13.014 1.284 11.607 1.00 22.34 C ATOM 1159 CE2 PHE A 83 -11.679 -0.555 10.860 1.00 53.33 C ATOM 1160 CZ PHE A 83 -12.356 0.098 11.872 1.00 50.32 C ATOM 0 H PHE A 83 -15.413 1.542 7.887 1.00 2.24 H new ATOM 0 HA PHE A 83 -13.279 1.553 6.021 1.00 73.22 H new ATOM 0 HB2 PHE A 83 -11.377 1.435 7.420 1.00 52.24 H new ATOM 0 HB3 PHE A 83 -12.263 2.835 7.990 1.00 52.24 H new ATOM 0 HD1 PHE A 83 -13.506 2.741 10.128 1.00 31.43 H new ATOM 0 HD2 PHE A 83 -11.128 -0.533 8.799 1.00 54.10 H new ATOM 0 HE1 PHE A 83 -13.545 1.796 12.396 1.00 22.34 H new ATOM 0 HE2 PHE A 83 -11.165 -1.483 11.064 1.00 53.33 H new ATOM 0 HZ PHE A 83 -12.371 -0.318 12.869 1.00 50.32 H new ATOM 1170 N ASN A 84 -12.726 -0.958 6.892 1.00 11.05 N ATOM 1171 CA ASN A 84 -12.834 -2.410 6.982 1.00 22.21 C ATOM 1172 C ASN A 84 -11.639 -2.999 7.726 1.00 11.53 C ATOM 1173 O ASN A 84 -10.488 -2.751 7.366 1.00 13.01 O ATOM 1174 CB ASN A 84 -12.933 -3.024 5.584 1.00 41.21 C ATOM 1175 CG ASN A 84 -12.543 -4.490 5.567 1.00 45.54 C ATOM 1176 OD1 ASN A 84 -12.814 -5.226 6.516 1.00 51.22 O ATOM 1177 ND2 ASN A 84 -11.906 -4.919 4.485 1.00 53.41 N ATOM 0 H ASN A 84 -11.819 -0.622 6.570 1.00 11.05 H new ATOM 0 HA ASN A 84 -13.740 -2.648 7.540 1.00 22.21 H new ATOM 0 HB2 ASN A 84 -13.953 -2.918 5.215 1.00 41.21 H new ATOM 0 HB3 ASN A 84 -12.288 -2.471 4.901 1.00 41.21 H new ATOM 0 HD21 ASN A 84 -11.620 -5.895 4.415 1.00 53.41 H new ATOM 0 HD22 ASN A 84 -11.703 -4.272 3.723 1.00 53.41 H new ATOM 1184 N GLY A 85 -11.920 -3.781 8.763 1.00 42.13 N ATOM 1185 CA GLY A 85 -10.858 -4.394 9.540 1.00 11.42 C ATOM 1186 C GLY A 85 -11.028 -5.894 9.671 1.00 50.31 C ATOM 1187 O GLY A 85 -12.136 -6.414 9.545 1.00 64.33 O ATOM 0 H GLY A 85 -12.864 -4.001 9.079 1.00 42.13 H new ATOM 0 HA2 GLY A 85 -9.898 -4.180 9.070 1.00 11.42 H new ATOM 0 HA3 GLY A 85 -10.834 -3.946 10.533 1.00 11.42 H new ATOM 1191 N SER A 86 -9.925 -6.592 9.922 1.00 31.32 N ATOM 1192 CA SER A 86 -9.955 -8.043 10.065 1.00 24.43 C ATOM 1193 C SER A 86 -9.769 -8.450 11.524 1.00 55.31 C ATOM 1194 O SER A 86 -8.723 -8.195 12.122 1.00 44.21 O ATOM 1195 CB SER A 86 -8.868 -8.685 9.201 1.00 74.11 C ATOM 1196 OG SER A 86 -9.434 -9.497 8.188 1.00 4.24 O ATOM 0 H SER A 86 -9.000 -6.176 10.030 1.00 31.32 H new ATOM 0 HA SER A 86 -10.930 -8.396 9.730 1.00 24.43 H new ATOM 0 HB2 SER A 86 -8.254 -7.907 8.747 1.00 74.11 H new ATOM 0 HB3 SER A 86 -8.209 -9.286 9.828 1.00 74.11 H new ATOM 0 HG SER A 86 -8.718 -9.894 7.649 1.00 4.24 H new ATOM 1202 N GLY A 87 -10.790 -9.084 12.091 1.00 34.24 N ATOM 1203 CA GLY A 87 -10.719 -9.516 13.474 1.00 20.22 C ATOM 1204 C GLY A 87 -12.086 -9.613 14.122 1.00 34.23 C ATOM 1205 O GLY A 87 -13.111 -9.719 13.447 1.00 52.44 O ATOM 0 H GLY A 87 -11.665 -9.306 11.617 1.00 34.24 H new ATOM 0 HA2 GLY A 87 -10.227 -10.488 13.523 1.00 20.22 H new ATOM 0 HA3 GLY A 87 -10.102 -8.817 14.038 1.00 20.22 H new ATOM 1209 N PRO A 88 -12.114 -9.580 15.462 1.00 74.33 N ATOM 1210 CA PRO A 88 -13.360 -9.664 16.232 1.00 14.43 C ATOM 1211 C PRO A 88 -14.217 -8.412 16.085 1.00 32.23 C ATOM 1212 O PRO A 88 -15.444 -8.485 16.094 1.00 64.32 O ATOM 1213 CB PRO A 88 -12.875 -9.815 17.675 1.00 62.51 C ATOM 1214 CG PRO A 88 -11.522 -9.192 17.688 1.00 74.32 C ATOM 1215 CD PRO A 88 -10.931 -9.456 16.332 1.00 21.33 C ATOM 0 HA PRO A 88 -13.995 -10.483 15.894 1.00 14.43 H new ATOM 0 HB2 PRO A 88 -13.547 -9.316 18.373 1.00 62.51 H new ATOM 0 HB3 PRO A 88 -12.831 -10.863 17.970 1.00 62.51 H new ATOM 0 HG2 PRO A 88 -11.587 -8.122 17.883 1.00 74.32 H new ATOM 0 HG3 PRO A 88 -10.902 -9.622 18.474 1.00 74.32 H new ATOM 0 HD2 PRO A 88 -10.280 -8.642 16.012 1.00 21.33 H new ATOM 0 HD3 PRO A 88 -10.330 -10.366 16.326 1.00 21.33 H new ATOM 1223 N GLY A 89 -13.561 -7.264 15.949 1.00 62.35 N ATOM 1224 CA GLY A 89 -14.280 -6.012 15.802 1.00 72.03 C ATOM 1225 C GLY A 89 -14.620 -5.378 17.137 1.00 24.23 C ATOM 1226 O GLY A 89 -15.597 -4.638 17.249 1.00 54.50 O ATOM 0 H GLY A 89 -12.545 -7.178 15.938 1.00 62.35 H new ATOM 0 HA2 GLY A 89 -13.678 -5.317 15.216 1.00 72.03 H new ATOM 0 HA3 GLY A 89 -15.199 -6.188 15.242 1.00 72.03 H new ATOM 1230 N SER A 90 -13.814 -5.671 18.151 1.00 74.41 N ATOM 1231 CA SER A 90 -14.037 -5.129 19.487 1.00 24.11 C ATOM 1232 C SER A 90 -12.932 -4.149 19.868 1.00 4.14 C ATOM 1233 O SER A 90 -12.035 -4.458 20.651 1.00 73.53 O ATOM 1234 CB SER A 90 -14.107 -6.260 20.515 1.00 22.22 C ATOM 1235 OG SER A 90 -15.344 -6.947 20.435 1.00 40.45 O ATOM 0 H SER A 90 -13.000 -6.281 18.074 1.00 74.41 H new ATOM 0 HA SER A 90 -14.987 -4.594 19.480 1.00 24.11 H new ATOM 0 HB2 SER A 90 -13.288 -6.959 20.347 1.00 22.22 H new ATOM 0 HB3 SER A 90 -13.978 -5.853 21.518 1.00 22.22 H new ATOM 0 HG SER A 90 -15.363 -7.666 21.101 1.00 40.45 H new ATOM 1241 N PRO A 91 -12.997 -2.936 19.298 1.00 74.12 N ATOM 1242 CA PRO A 91 -12.010 -1.885 19.563 1.00 45.23 C ATOM 1243 C PRO A 91 -12.117 -1.333 20.980 1.00 13.20 C ATOM 1244 O PRO A 91 -13.159 -1.444 21.624 1.00 2.12 O ATOM 1245 CB PRO A 91 -12.364 -0.802 18.540 1.00 42.42 C ATOM 1246 CG PRO A 91 -13.808 -1.015 18.246 1.00 24.01 C ATOM 1247 CD PRO A 91 -14.038 -2.498 18.354 1.00 64.22 C ATOM 0 HA PRO A 91 -10.988 -2.255 19.478 1.00 45.23 H new ATOM 0 HB2 PRO A 91 -12.185 0.195 18.942 1.00 42.42 H new ATOM 0 HB3 PRO A 91 -11.759 -0.896 17.639 1.00 42.42 H new ATOM 0 HG2 PRO A 91 -14.435 -0.470 18.952 1.00 24.01 H new ATOM 0 HG3 PRO A 91 -14.061 -0.652 17.250 1.00 24.01 H new ATOM 0 HD2 PRO A 91 -15.038 -2.724 18.725 1.00 64.22 H new ATOM 0 HD3 PRO A 91 -13.938 -2.992 17.387 1.00 64.22 H new ATOM 1255 N SER A 92 -11.029 -0.737 21.461 1.00 23.12 N ATOM 1256 CA SER A 92 -10.999 -0.171 22.805 1.00 64.42 C ATOM 1257 C SER A 92 -10.095 1.057 22.857 1.00 34.24 C ATOM 1258 O SER A 92 -9.407 1.375 21.888 1.00 64.12 O ATOM 1259 CB SER A 92 -10.518 -1.217 23.811 1.00 32.33 C ATOM 1260 OG SER A 92 -11.578 -2.072 24.205 1.00 70.03 O ATOM 0 H SER A 92 -10.158 -0.634 20.940 1.00 23.12 H new ATOM 0 HA SER A 92 -12.012 0.134 23.067 1.00 64.42 H new ATOM 0 HB2 SER A 92 -9.715 -1.808 23.370 1.00 32.33 H new ATOM 0 HB3 SER A 92 -10.103 -0.719 24.688 1.00 32.33 H new ATOM 0 HG SER A 92 -12.304 -2.016 23.550 1.00 70.03 H new ATOM 1266 N ASN A 93 -10.101 1.740 23.997 1.00 12.45 N ATOM 1267 CA ASN A 93 -9.282 2.933 24.177 1.00 33.11 C ATOM 1268 C ASN A 93 -9.627 3.993 23.136 1.00 14.23 C ATOM 1269 O ASN A 93 -8.739 4.580 22.514 1.00 23.42 O ATOM 1270 CB ASN A 93 -7.796 2.575 24.084 1.00 65.14 C ATOM 1271 CG ASN A 93 -7.255 2.012 25.383 1.00 72.34 C ATOM 1272 OD1 ASN A 93 -7.723 0.981 25.869 1.00 52.44 O ATOM 1273 ND2 ASN A 93 -6.265 2.688 25.955 1.00 40.11 N ATOM 0 H ASN A 93 -10.664 1.488 24.810 1.00 12.45 H new ATOM 0 HA ASN A 93 -9.490 3.340 25.166 1.00 33.11 H new ATOM 0 HB2 ASN A 93 -7.650 1.846 23.287 1.00 65.14 H new ATOM 0 HB3 ASN A 93 -7.227 3.464 23.812 1.00 65.14 H new ATOM 0 HD21 ASN A 93 -5.862 2.358 26.832 1.00 40.11 H new ATOM 0 HD22 ASN A 93 -5.908 3.537 25.517 1.00 40.11 H new ATOM 1280 N CYS A 94 -10.920 4.233 22.951 1.00 61.11 N ATOM 1281 CA CYS A 94 -11.384 5.222 21.984 1.00 51.40 C ATOM 1282 C CYS A 94 -10.963 6.628 22.401 1.00 42.44 C ATOM 1283 O CYS A 94 -11.586 7.244 23.266 1.00 50.32 O ATOM 1284 CB CYS A 94 -12.904 5.153 21.842 1.00 4.11 C ATOM 1285 SG CYS A 94 -13.547 3.483 21.586 1.00 73.10 S ATOM 0 H CYS A 94 -11.666 3.756 23.458 1.00 61.11 H new ATOM 0 HA CYS A 94 -10.926 4.995 21.021 1.00 51.40 H new ATOM 0 HB2 CYS A 94 -13.361 5.573 22.738 1.00 4.11 H new ATOM 0 HB3 CYS A 94 -13.209 5.780 21.004 1.00 4.11 H new ATOM 0 HG CYS A 94 -14.108 3.409 20.416 1.00 73.10 H new ATOM 1291 N LYS A 95 -9.900 7.130 21.780 1.00 64.21 N ATOM 1292 CA LYS A 95 -9.395 8.463 22.086 1.00 41.33 C ATOM 1293 C LYS A 95 -9.436 9.357 20.850 1.00 61.32 C ATOM 1294 O LYS A 95 -9.203 8.898 19.732 1.00 52.21 O ATOM 1295 CB LYS A 95 -7.963 8.378 22.619 1.00 21.51 C ATOM 1296 CG LYS A 95 -7.886 8.114 24.114 1.00 10.51 C ATOM 1297 CD LYS A 95 -7.944 6.626 24.420 1.00 44.32 C ATOM 1298 CE LYS A 95 -7.643 6.348 25.885 1.00 13.14 C ATOM 1299 NZ LYS A 95 -8.703 5.519 26.521 1.00 73.51 N ATOM 0 H LYS A 95 -9.372 6.634 21.062 1.00 64.21 H new ATOM 0 HA LYS A 95 -10.036 8.901 22.851 1.00 41.33 H new ATOM 0 HB2 LYS A 95 -7.434 7.585 22.091 1.00 21.51 H new ATOM 0 HB3 LYS A 95 -7.445 9.311 22.396 1.00 21.51 H new ATOM 0 HG2 LYS A 95 -6.961 8.533 24.511 1.00 10.51 H new ATOM 0 HG3 LYS A 95 -8.708 8.622 24.617 1.00 10.51 H new ATOM 0 HD2 LYS A 95 -8.932 6.240 24.171 1.00 44.32 H new ATOM 0 HD3 LYS A 95 -7.227 6.096 23.793 1.00 44.32 H new ATOM 0 HE2 LYS A 95 -6.684 5.837 25.968 1.00 13.14 H new ATOM 0 HE3 LYS A 95 -7.549 7.292 26.422 1.00 13.14 H new ATOM 0 HZ1 LYS A 95 -8.899 5.879 27.477 1.00 73.51 H new ATOM 0 HZ2 LYS A 95 -9.570 5.566 25.949 1.00 73.51 H new ATOM 0 HZ3 LYS A 95 -8.382 4.532 26.582 1.00 73.51 H new ATOM 1313 N LEU A 96 -9.731 10.635 21.060 1.00 42.14 N ATOM 1314 CA LEU A 96 -9.800 11.594 19.963 1.00 61.31 C ATOM 1315 C LEU A 96 -9.667 13.024 20.480 1.00 34.13 C ATOM 1316 O LEU A 96 -10.127 13.344 21.575 1.00 31.33 O ATOM 1317 CB LEU A 96 -11.119 11.436 19.204 1.00 11.31 C ATOM 1318 CG LEU A 96 -12.336 12.125 19.822 1.00 45.04 C ATOM 1319 CD1 LEU A 96 -12.568 13.481 19.173 1.00 61.22 C ATOM 1320 CD2 LEU A 96 -13.572 11.248 19.685 1.00 64.54 C ATOM 0 H LEU A 96 -9.926 11.031 21.979 1.00 42.14 H new ATOM 0 HA LEU A 96 -8.970 11.393 19.285 1.00 61.31 H new ATOM 0 HB2 LEU A 96 -10.982 11.822 18.194 1.00 11.31 H new ATOM 0 HB3 LEU A 96 -11.337 10.372 19.112 1.00 11.31 H new ATOM 0 HG LEU A 96 -12.141 12.281 20.883 1.00 45.04 H new ATOM 0 HD11 LEU A 96 -13.438 13.957 19.625 1.00 61.22 H new ATOM 0 HD12 LEU A 96 -11.691 14.111 19.323 1.00 61.22 H new ATOM 0 HD13 LEU A 96 -12.741 13.348 18.105 1.00 61.22 H new ATOM 0 HD21 LEU A 96 -14.428 11.754 20.130 1.00 64.54 H new ATOM 0 HD22 LEU A 96 -13.770 11.060 18.630 1.00 64.54 H new ATOM 0 HD23 LEU A 96 -13.404 10.300 20.197 1.00 64.54 H new ATOM 1332 N ASN A 97 -9.034 13.878 19.683 1.00 33.12 N ATOM 1333 CA ASN A 97 -8.840 15.274 20.059 1.00 4.33 C ATOM 1334 C ASN A 97 -8.022 15.383 21.342 1.00 10.23 C ATOM 1335 O ASN A 97 -8.448 16.011 22.310 1.00 64.44 O ATOM 1336 CB ASN A 97 -10.192 15.966 20.243 1.00 3.22 C ATOM 1337 CG ASN A 97 -10.110 17.465 20.023 1.00 15.11 C ATOM 1338 OD1 ASN A 97 -10.023 17.933 18.888 1.00 3.03 O ATOM 1339 ND2 ASN A 97 -10.135 18.224 21.113 1.00 3.33 N ATOM 0 H ASN A 97 -8.647 13.628 18.773 1.00 33.12 H new ATOM 0 HA ASN A 97 -8.292 15.768 19.257 1.00 4.33 H new ATOM 0 HB2 ASN A 97 -10.914 15.538 19.547 1.00 3.22 H new ATOM 0 HB3 ASN A 97 -10.564 15.769 21.248 1.00 3.22 H new ATOM 0 HD21 ASN A 97 -10.081 19.239 21.029 1.00 3.33 H new ATOM 0 HD22 ASN A 97 -10.208 17.792 22.034 1.00 3.33 H new ATOM 1346 N GLY A 98 -6.844 14.767 21.340 1.00 52.14 N ATOM 1347 CA GLY A 98 -5.985 14.808 22.509 1.00 33.42 C ATOM 1348 C GLY A 98 -6.489 13.922 23.631 1.00 65.30 C ATOM 1349 O GLY A 98 -6.423 14.293 24.802 1.00 63.25 O ATOM 0 H GLY A 98 -6.469 14.241 20.551 1.00 52.14 H new ATOM 0 HA2 GLY A 98 -4.979 14.496 22.228 1.00 33.42 H new ATOM 0 HA3 GLY A 98 -5.912 15.835 22.866 1.00 33.42 H new ATOM 1353 N GLY A 99 -6.997 12.747 23.272 1.00 22.45 N ATOM 1354 CA GLY A 99 -7.509 11.825 24.269 1.00 31.34 C ATOM 1355 C GLY A 99 -8.718 12.375 25.000 1.00 32.43 C ATOM 1356 O GLY A 99 -8.663 12.623 26.204 1.00 70.30 O ATOM 0 H GLY A 99 -7.063 12.417 22.309 1.00 22.45 H new ATOM 0 HA2 GLY A 99 -7.776 10.885 23.787 1.00 31.34 H new ATOM 0 HA3 GLY A 99 -6.723 11.601 24.990 1.00 31.34 H new ATOM 1360 N SER A 100 -9.813 12.565 24.271 1.00 21.01 N ATOM 1361 CA SER A 100 -11.038 13.094 24.857 1.00 4.15 C ATOM 1362 C SER A 100 -12.261 12.633 24.068 1.00 11.30 C ATOM 1363 O SER A 100 -12.535 13.135 22.978 1.00 63.34 O ATOM 1364 CB SER A 100 -10.992 14.623 24.897 1.00 52.24 C ATOM 1365 OG SER A 100 -9.713 15.104 24.517 1.00 72.42 O ATOM 0 H SER A 100 -9.876 12.360 23.274 1.00 21.01 H new ATOM 0 HA SER A 100 -11.117 12.713 25.875 1.00 4.15 H new ATOM 0 HB2 SER A 100 -11.751 15.031 24.229 1.00 52.24 H new ATOM 0 HB3 SER A 100 -11.232 14.971 25.902 1.00 52.24 H new ATOM 0 HG SER A 100 -9.713 15.311 23.559 1.00 72.42 H new ATOM 1371 N CYS A 101 -12.990 11.674 24.627 1.00 34.33 N ATOM 1372 CA CYS A 101 -14.182 11.142 23.977 1.00 64.31 C ATOM 1373 C CYS A 101 -15.235 10.750 25.008 1.00 72.23 C ATOM 1374 O CYS A 101 -14.931 10.080 25.997 1.00 5.35 O ATOM 1375 CB CYS A 101 -13.821 9.932 23.114 1.00 3.53 C ATOM 1376 SG CYS A 101 -15.241 9.142 22.319 1.00 60.33 S ATOM 0 H CYS A 101 -12.776 11.249 25.529 1.00 34.33 H new ATOM 0 HA CYS A 101 -14.597 11.923 23.340 1.00 64.31 H new ATOM 0 HB2 CYS A 101 -13.115 10.245 22.345 1.00 3.53 H new ATOM 0 HB3 CYS A 101 -13.310 9.196 23.735 1.00 3.53 H new ATOM 0 HG CYS A 101 -14.834 8.131 21.610 1.00 60.33 H new