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 63 THR OG1 : rot 160:sc= 0.0969 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 146:sc= 0.105 (180deg=-1.98!) USER MOD Single : A 5 THR OG1 : rot 25:sc= 0.519 USER MOD Single : A 7 THR OG1 : rot 180:sc=-0.000776 USER MOD Single : A 10 LYS NZ :NH3+ -138:sc= 0.63 (180deg=-0.665) USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 12 SER OG : rot 180:sc= -0.11 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.653 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= -2.41! C(o=-2.4!,f=-4.9!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 31 SER OG : rot 12:sc= 1.03 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.721 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 149:sc= -0.403 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.1) USER MOD Single : A 58 SER OG : rot 41:sc= 0.49 USER MOD Single : A 61 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-4.5!) USER MOD Single : A 66 ASN : amide:sc= -1.61 K(o=-1.6,f=-3.3!) USER MOD Single : A 70 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.055) USER MOD Single : A 72 THR OG1 : rot -2:sc= 0.802! USER MOD Single : A 78 SER OG : rot 28:sc= 0.116 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.94 K(o=-1.9,f=-3.5!) 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 16:sc= 0.2 USER MOD Single : A 93 ASN : amide:sc=-0.00364 K(o=-0.0036,f=-0.75) USER MOD Single : A 94 CYS SG : rot -115:sc= 0.17 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.535 K(o=-0.53,f=-2.6) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot -30:sc= -0.0132 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -17.103 14.981 20.340 1.00 32.32 N ATOM 47 CA THR A 5 -17.081 13.592 20.784 1.00 50.23 C ATOM 48 C THR A 5 -17.282 12.637 19.613 1.00 63.35 C ATOM 49 O THR A 5 -17.693 13.048 18.528 1.00 24.00 O ATOM 50 CB THR A 5 -18.167 13.324 21.843 1.00 61.31 C ATOM 51 OG1 THR A 5 -18.452 14.525 22.568 1.00 53.42 O ATOM 52 CG2 THR A 5 -17.723 12.235 22.809 1.00 45.51 C ATOM 0 HA THR A 5 -16.101 13.417 21.227 1.00 50.23 H new ATOM 0 HB THR A 5 -19.068 12.988 21.330 1.00 61.31 H new ATOM 0 HG1 THR A 5 -18.226 15.302 22.015 1.00 53.42 H new ATOM 0 HG21 THR A 5 -18.506 12.063 23.548 1.00 45.51 H new ATOM 0 HG22 THR A 5 -17.536 11.314 22.257 1.00 45.51 H new ATOM 0 HG23 THR A 5 -16.809 12.547 23.315 1.00 45.51 H new ATOM 60 N ALA A 6 -16.990 11.361 19.840 1.00 62.53 N ATOM 61 CA ALA A 6 -17.142 10.346 18.804 1.00 72.03 C ATOM 62 C ALA A 6 -17.623 9.026 19.396 1.00 1.44 C ATOM 63 O ALA A 6 -17.479 8.781 20.593 1.00 21.43 O ATOM 64 CB ALA A 6 -15.828 10.147 18.064 1.00 50.54 C ATOM 0 H ALA A 6 -16.647 11.005 20.732 1.00 62.53 H new ATOM 0 HA ALA A 6 -17.896 10.693 18.097 1.00 72.03 H new ATOM 0 HB1 ALA A 6 -15.956 9.387 17.294 1.00 50.54 H new ATOM 0 HB2 ALA A 6 -15.526 11.086 17.600 1.00 50.54 H new ATOM 0 HB3 ALA A 6 -15.060 9.825 18.767 1.00 50.54 H new ATOM 70 N THR A 7 -18.196 8.177 18.547 1.00 71.41 N ATOM 71 CA THR A 7 -18.700 6.882 18.986 1.00 73.51 C ATOM 72 C THR A 7 -18.433 5.805 17.940 1.00 62.42 C ATOM 73 O THR A 7 -18.429 6.079 16.740 1.00 3.14 O ATOM 74 CB THR A 7 -20.211 6.936 19.277 1.00 20.13 C ATOM 75 OG1 THR A 7 -20.600 8.275 19.604 1.00 55.44 O ATOM 76 CG2 THR A 7 -20.577 6.003 20.421 1.00 14.52 C ATOM 0 H THR A 7 -18.322 8.364 17.552 1.00 71.41 H new ATOM 0 HA THR A 7 -18.170 6.632 19.905 1.00 73.51 H new ATOM 0 HB THR A 7 -20.742 6.612 18.382 1.00 20.13 H new ATOM 0 HG1 THR A 7 -21.563 8.301 19.786 1.00 55.44 H new ATOM 0 HG21 THR A 7 -21.649 6.059 20.607 1.00 14.52 H new ATOM 0 HG22 THR A 7 -20.308 4.980 20.157 1.00 14.52 H new ATOM 0 HG23 THR A 7 -20.037 6.300 21.320 1.00 14.52 H new ATOM 84 N PHE A 8 -18.211 4.580 18.403 1.00 34.31 N ATOM 85 CA PHE A 8 -17.943 3.460 17.507 1.00 4.42 C ATOM 86 C PHE A 8 -19.243 2.806 17.050 1.00 64.41 C ATOM 87 O PHE A 8 -20.219 2.751 17.798 1.00 20.12 O ATOM 88 CB PHE A 8 -17.055 2.425 18.200 1.00 52.01 C ATOM 89 CG PHE A 8 -16.875 1.162 17.407 1.00 41.41 C ATOM 90 CD1 PHE A 8 -16.158 1.170 16.221 1.00 32.34 C ATOM 91 CD2 PHE A 8 -17.423 -0.031 17.847 1.00 35.43 C ATOM 92 CE1 PHE A 8 -15.991 0.009 15.490 1.00 41.53 C ATOM 93 CE2 PHE A 8 -17.258 -1.195 17.121 1.00 15.25 C ATOM 94 CZ PHE A 8 -16.543 -1.175 15.939 1.00 55.22 C ATOM 0 H PHE A 8 -18.211 4.337 19.394 1.00 34.31 H new ATOM 0 HA PHE A 8 -17.423 3.846 16.630 1.00 4.42 H new ATOM 0 HB2 PHE A 8 -16.077 2.867 18.391 1.00 52.01 H new ATOM 0 HB3 PHE A 8 -17.488 2.177 19.169 1.00 52.01 H new ATOM 0 HD1 PHE A 8 -15.725 2.093 15.864 1.00 32.34 H new ATOM 0 HD2 PHE A 8 -17.986 -0.052 18.768 1.00 35.43 H new ATOM 0 HE1 PHE A 8 -15.429 0.027 14.568 1.00 41.53 H new ATOM 0 HE2 PHE A 8 -17.688 -2.120 17.477 1.00 15.25 H new ATOM 0 HZ PHE A 8 -16.416 -2.083 15.368 1.00 55.22 H new ATOM 104 N ALA A 9 -19.249 2.313 15.816 1.00 22.53 N ATOM 105 CA ALA A 9 -20.428 1.661 15.258 1.00 54.14 C ATOM 106 C ALA A 9 -20.038 0.471 14.390 1.00 22.25 C ATOM 107 O ALA A 9 -18.854 0.208 14.172 1.00 65.42 O ATOM 108 CB ALA A 9 -21.251 2.658 14.455 1.00 13.14 C ATOM 0 H ALA A 9 -18.450 2.353 15.183 1.00 22.53 H new ATOM 0 HA ALA A 9 -21.034 1.289 16.085 1.00 54.14 H new ATOM 0 HB1 ALA A 9 -22.128 2.158 14.044 1.00 13.14 H new ATOM 0 HB2 ALA A 9 -21.569 3.474 15.104 1.00 13.14 H new ATOM 0 HB3 ALA A 9 -20.646 3.057 13.641 1.00 13.14 H new ATOM 114 N LYS A 10 -21.040 -0.249 13.896 1.00 44.53 N ATOM 115 CA LYS A 10 -20.803 -1.412 13.049 1.00 70.54 C ATOM 116 C LYS A 10 -21.310 -1.166 11.632 1.00 32.42 C ATOM 117 O LYS A 10 -22.186 -0.329 11.410 1.00 53.31 O ATOM 118 CB LYS A 10 -21.488 -2.646 13.641 1.00 52.11 C ATOM 119 CG LYS A 10 -20.532 -3.593 14.345 1.00 20.14 C ATOM 120 CD LYS A 10 -19.549 -4.220 13.371 1.00 53.45 C ATOM 121 CE LYS A 10 -20.260 -5.063 12.325 1.00 62.21 C ATOM 122 NZ LYS A 10 -21.202 -6.037 12.945 1.00 5.11 N ATOM 0 H LYS A 10 -22.025 -0.047 14.068 1.00 44.53 H new ATOM 0 HA LYS A 10 -19.728 -1.586 13.005 1.00 70.54 H new ATOM 0 HB2 LYS A 10 -22.252 -2.323 14.348 1.00 52.11 H new ATOM 0 HB3 LYS A 10 -21.999 -3.185 12.843 1.00 52.11 H new ATOM 0 HG2 LYS A 10 -19.985 -3.052 15.117 1.00 20.14 H new ATOM 0 HG3 LYS A 10 -21.099 -4.377 14.846 1.00 20.14 H new ATOM 0 HD2 LYS A 10 -18.974 -3.436 12.878 1.00 53.45 H new ATOM 0 HD3 LYS A 10 -18.839 -4.840 13.918 1.00 53.45 H new ATOM 0 HE2 LYS A 10 -20.807 -4.411 11.644 1.00 62.21 H new ATOM 0 HE3 LYS A 10 -19.522 -5.600 11.729 1.00 62.21 H new ATOM 0 HZ1 LYS A 10 -21.123 -6.953 12.460 1.00 5.11 H new ATOM 0 HZ2 LYS A 10 -20.966 -6.156 13.951 1.00 5.11 H new ATOM 0 HZ3 LYS A 10 -22.176 -5.682 12.858 1.00 5.11 H new ATOM 136 N THR A 11 -20.756 -1.903 10.674 1.00 5.14 N ATOM 137 CA THR A 11 -21.153 -1.766 9.279 1.00 2.32 C ATOM 138 C THR A 11 -21.547 -3.112 8.683 1.00 31.42 C ATOM 139 O THR A 11 -22.649 -3.270 8.158 1.00 22.34 O ATOM 140 CB THR A 11 -20.021 -1.154 8.430 1.00 21.01 C ATOM 141 OG1 THR A 11 -19.025 -0.581 9.283 1.00 61.44 O ATOM 142 CG2 THR A 11 -20.564 -0.090 7.489 1.00 62.54 C ATOM 0 H THR A 11 -20.031 -2.601 10.839 1.00 5.14 H new ATOM 0 HA THR A 11 -22.014 -1.098 9.261 1.00 2.32 H new ATOM 0 HB THR A 11 -19.574 -1.949 7.833 1.00 21.01 H new ATOM 0 HG1 THR A 11 -18.309 -0.196 8.736 1.00 61.44 H new ATOM 0 HG21 THR A 11 -19.747 0.327 6.901 1.00 62.54 H new ATOM 0 HG22 THR A 11 -21.301 -0.537 6.821 1.00 62.54 H new ATOM 0 HG23 THR A 11 -21.035 0.703 8.070 1.00 62.54 H new ATOM 150 N SER A 12 -20.641 -4.081 8.770 1.00 54.42 N ATOM 151 CA SER A 12 -20.893 -5.415 8.237 1.00 43.22 C ATOM 152 C SER A 12 -19.700 -6.332 8.482 1.00 11.42 C ATOM 153 O SER A 12 -18.555 -5.965 8.217 1.00 1.11 O ATOM 154 CB SER A 12 -21.195 -5.339 6.738 1.00 31.42 C ATOM 155 OG SER A 12 -20.588 -4.200 6.153 1.00 11.32 O ATOM 0 H SER A 12 -19.725 -3.967 9.205 1.00 54.42 H new ATOM 0 HA SER A 12 -21.759 -5.829 8.754 1.00 43.22 H new ATOM 0 HB2 SER A 12 -20.834 -6.241 6.245 1.00 31.42 H new ATOM 0 HB3 SER A 12 -22.273 -5.301 6.582 1.00 31.42 H new ATOM 0 HG SER A 12 -20.794 -4.175 5.195 1.00 11.32 H new ATOM 161 N ASP A 13 -19.976 -7.528 8.989 1.00 20.22 N ATOM 162 CA ASP A 13 -18.927 -8.501 9.270 1.00 12.14 C ATOM 163 C ASP A 13 -19.098 -9.750 8.410 1.00 43.52 C ATOM 164 O ASP A 13 -20.174 -10.349 8.376 1.00 53.12 O ATOM 165 CB ASP A 13 -18.937 -8.882 10.751 1.00 13.23 C ATOM 166 CG ASP A 13 -20.342 -9.010 11.305 1.00 62.44 C ATOM 167 OD1 ASP A 13 -21.247 -9.403 10.541 1.00 63.10 O ATOM 168 OD2 ASP A 13 -20.536 -8.717 12.504 1.00 72.11 O ATOM 0 H ASP A 13 -20.918 -7.847 9.214 1.00 20.22 H new ATOM 0 HA ASP A 13 -17.968 -8.043 9.027 1.00 12.14 H new ATOM 0 HB2 ASP A 13 -18.409 -9.827 10.884 1.00 13.23 H new ATOM 0 HB3 ASP A 13 -18.392 -8.129 11.321 1.00 13.23 H new ATOM 173 N TRP A 14 -18.034 -10.134 7.716 1.00 31.11 N ATOM 174 CA TRP A 14 -18.068 -11.311 6.854 1.00 75.11 C ATOM 175 C TRP A 14 -17.207 -12.431 7.428 1.00 44.15 C ATOM 176 O TRP A 14 -16.057 -12.609 7.030 1.00 52.13 O ATOM 177 CB TRP A 14 -17.587 -10.952 5.448 1.00 14.33 C ATOM 178 CG TRP A 14 -16.334 -10.129 5.440 1.00 5.15 C ATOM 179 CD1 TRP A 14 -15.059 -10.578 5.244 1.00 32.31 C ATOM 180 CD2 TRP A 14 -16.237 -8.714 5.637 1.00 42.01 C ATOM 181 NE1 TRP A 14 -14.175 -9.528 5.309 1.00 4.24 N ATOM 182 CE2 TRP A 14 -14.874 -8.374 5.548 1.00 15.41 C ATOM 183 CE3 TRP A 14 -17.170 -7.702 5.878 1.00 13.22 C ATOM 184 CZ2 TRP A 14 -14.423 -7.064 5.693 1.00 13.33 C ATOM 185 CZ3 TRP A 14 -16.721 -6.403 6.023 1.00 1.43 C ATOM 186 CH2 TRP A 14 -15.357 -6.093 5.928 1.00 63.01 C ATOM 0 H TRP A 14 -17.137 -9.649 7.732 1.00 31.11 H new ATOM 0 HA TRP A 14 -19.099 -11.661 6.800 1.00 75.11 H new ATOM 0 HB2 TRP A 14 -17.414 -11.870 4.886 1.00 14.33 H new ATOM 0 HB3 TRP A 14 -18.375 -10.405 4.931 1.00 14.33 H new ATOM 0 HD1 TRP A 14 -14.786 -11.607 5.064 1.00 32.31 H new ATOM 0 HE1 TRP A 14 -13.163 -9.596 5.198 1.00 4.24 H new ATOM 0 HE3 TRP A 14 -18.223 -7.931 5.950 1.00 13.22 H new ATOM 0 HZ2 TRP A 14 -13.372 -6.824 5.622 1.00 13.33 H new ATOM 0 HZ3 TRP A 14 -17.433 -5.613 6.213 1.00 1.43 H new ATOM 0 HH2 TRP A 14 -15.038 -5.068 6.043 1.00 63.01 H new ATOM 197 N GLY A 15 -17.772 -13.184 8.367 1.00 20.21 N ATOM 198 CA GLY A 15 -17.042 -14.278 8.981 1.00 41.33 C ATOM 199 C GLY A 15 -15.979 -13.795 9.947 1.00 60.02 C ATOM 200 O GLY A 15 -16.232 -13.661 11.145 1.00 30.14 O ATOM 0 H GLY A 15 -18.723 -13.056 8.714 1.00 20.21 H new ATOM 0 HA2 GLY A 15 -17.741 -14.926 9.509 1.00 41.33 H new ATOM 0 HA3 GLY A 15 -16.574 -14.881 8.203 1.00 41.33 H new ATOM 204 N THR A 16 -14.784 -13.533 9.428 1.00 15.32 N ATOM 205 CA THR A 16 -13.677 -13.065 10.253 1.00 41.41 C ATOM 206 C THR A 16 -13.489 -11.558 10.117 1.00 32.32 C ATOM 207 O THR A 16 -12.841 -10.926 10.950 1.00 2.11 O ATOM 208 CB THR A 16 -12.360 -13.771 9.880 1.00 4.43 C ATOM 209 OG1 THR A 16 -11.315 -13.362 10.770 1.00 63.50 O ATOM 210 CG2 THR A 16 -11.963 -13.453 8.446 1.00 11.03 C ATOM 0 H THR A 16 -14.558 -13.637 8.439 1.00 15.32 H new ATOM 0 HA THR A 16 -13.929 -13.305 11.286 1.00 41.41 H new ATOM 0 HB THR A 16 -12.513 -14.847 9.969 1.00 4.43 H new ATOM 0 HG1 THR A 16 -10.482 -13.817 10.527 1.00 63.50 H new ATOM 0 HG21 THR A 16 -11.030 -13.963 8.205 1.00 11.03 H new ATOM 0 HG22 THR A 16 -12.747 -13.791 7.768 1.00 11.03 H new ATOM 0 HG23 THR A 16 -11.828 -12.377 8.336 1.00 11.03 H new ATOM 218 N GLY A 17 -14.061 -10.987 9.061 1.00 24.42 N ATOM 219 CA GLY A 17 -13.946 -9.558 8.837 1.00 25.14 C ATOM 220 C GLY A 17 -15.049 -8.774 9.517 1.00 43.04 C ATOM 221 O GLY A 17 -16.124 -9.308 9.791 1.00 30.22 O ATOM 0 H GLY A 17 -14.602 -11.489 8.357 1.00 24.42 H new ATOM 0 HA2 GLY A 17 -12.980 -9.213 9.204 1.00 25.14 H new ATOM 0 HA3 GLY A 17 -13.970 -9.358 7.766 1.00 25.14 H new ATOM 225 N PHE A 18 -14.784 -7.501 9.793 1.00 74.12 N ATOM 226 CA PHE A 18 -15.762 -6.641 10.450 1.00 41.22 C ATOM 227 C PHE A 18 -15.675 -5.213 9.917 1.00 74.20 C ATOM 228 O PHE A 18 -14.594 -4.727 9.589 1.00 73.02 O ATOM 229 CB PHE A 18 -15.544 -6.647 11.964 1.00 71.14 C ATOM 230 CG PHE A 18 -14.382 -5.804 12.405 1.00 52.45 C ATOM 231 CD1 PHE A 18 -14.555 -4.460 12.697 1.00 75.24 C ATOM 232 CD2 PHE A 18 -13.116 -6.355 12.530 1.00 21.04 C ATOM 233 CE1 PHE A 18 -13.486 -3.682 13.103 1.00 12.24 C ATOM 234 CE2 PHE A 18 -12.044 -5.582 12.935 1.00 1.13 C ATOM 235 CZ PHE A 18 -12.230 -4.245 13.223 1.00 44.32 C ATOM 0 H PHE A 18 -13.900 -7.042 9.572 1.00 74.12 H new ATOM 0 HA PHE A 18 -16.756 -7.032 10.233 1.00 41.22 H new ATOM 0 HB2 PHE A 18 -16.449 -6.289 12.455 1.00 71.14 H new ATOM 0 HB3 PHE A 18 -15.385 -7.673 12.296 1.00 71.14 H new ATOM 0 HD1 PHE A 18 -15.535 -4.016 12.606 1.00 75.24 H new ATOM 0 HD2 PHE A 18 -12.965 -7.401 12.308 1.00 21.04 H new ATOM 0 HE1 PHE A 18 -13.633 -2.636 13.326 1.00 12.24 H new ATOM 0 HE2 PHE A 18 -11.063 -6.023 13.026 1.00 1.13 H new ATOM 0 HZ PHE A 18 -11.394 -3.639 13.542 1.00 44.32 H new ATOM 245 N GLY A 19 -16.823 -4.547 9.835 1.00 0.21 N ATOM 246 CA GLY A 19 -16.855 -3.183 9.341 1.00 31.12 C ATOM 247 C GLY A 19 -17.043 -2.169 10.452 1.00 31.33 C ATOM 248 O GLY A 19 -18.033 -2.212 11.180 1.00 62.32 O ATOM 0 H GLY A 19 -17.731 -4.928 10.102 1.00 0.21 H new ATOM 0 HA2 GLY A 19 -15.926 -2.970 8.812 1.00 31.12 H new ATOM 0 HA3 GLY A 19 -17.665 -3.080 8.618 1.00 31.12 H new ATOM 252 N GLY A 20 -16.088 -1.253 10.584 1.00 3.30 N ATOM 253 CA GLY A 20 -16.171 -0.238 11.617 1.00 51.42 C ATOM 254 C GLY A 20 -16.751 1.065 11.104 1.00 1.11 C ATOM 255 O GLY A 20 -16.579 1.411 9.936 1.00 44.21 O ATOM 0 H GLY A 20 -15.258 -1.196 9.993 1.00 3.30 H new ATOM 0 HA2 GLY A 20 -16.786 -0.608 12.437 1.00 51.42 H new ATOM 0 HA3 GLY A 20 -15.176 -0.055 12.023 1.00 51.42 H new ATOM 259 N SER A 21 -17.441 1.789 11.979 1.00 74.12 N ATOM 260 CA SER A 21 -18.053 3.059 11.608 1.00 11.31 C ATOM 261 C SER A 21 -17.934 4.073 12.742 1.00 10.41 C ATOM 262 O SER A 21 -18.717 4.052 13.691 1.00 52.53 O ATOM 263 CB SER A 21 -19.526 2.853 11.245 1.00 12.41 C ATOM 264 OG SER A 21 -20.297 3.994 11.578 1.00 61.32 O ATOM 0 H SER A 21 -17.590 1.517 12.951 1.00 74.12 H new ATOM 0 HA SER A 21 -17.523 3.449 10.739 1.00 11.31 H new ATOM 0 HB2 SER A 21 -19.616 2.648 10.178 1.00 12.41 H new ATOM 0 HB3 SER A 21 -19.915 1.981 11.771 1.00 12.41 H new ATOM 0 HG SER A 21 -21.234 3.838 11.335 1.00 61.32 H new ATOM 270 N TRP A 22 -16.950 4.957 12.634 1.00 50.54 N ATOM 271 CA TRP A 22 -16.727 5.980 13.649 1.00 72.25 C ATOM 272 C TRP A 22 -17.509 7.248 13.327 1.00 53.22 C ATOM 273 O TRP A 22 -17.295 7.875 12.288 1.00 43.21 O ATOM 274 CB TRP A 22 -15.235 6.301 13.762 1.00 11.43 C ATOM 275 CG TRP A 22 -14.425 5.171 14.322 1.00 4.24 C ATOM 276 CD1 TRP A 22 -13.700 4.254 13.616 1.00 24.22 C ATOM 277 CD2 TRP A 22 -14.259 4.839 15.704 1.00 63.45 C ATOM 278 NE1 TRP A 22 -13.094 3.371 14.477 1.00 61.30 N ATOM 279 CE2 TRP A 22 -13.421 3.709 15.764 1.00 11.50 C ATOM 280 CE3 TRP A 22 -14.737 5.387 16.898 1.00 12.25 C ATOM 281 CZ2 TRP A 22 -13.051 3.118 16.969 1.00 42.35 C ATOM 282 CZ3 TRP A 22 -14.370 4.799 18.094 1.00 1.32 C ATOM 283 CH2 TRP A 22 -13.533 3.675 18.123 1.00 43.43 C ATOM 0 H TRP A 22 -16.293 4.987 11.854 1.00 50.54 H new ATOM 0 HA TRP A 22 -17.081 5.590 14.604 1.00 72.25 H new ATOM 0 HB2 TRP A 22 -14.851 6.560 12.775 1.00 11.43 H new ATOM 0 HB3 TRP A 22 -15.107 7.179 14.395 1.00 11.43 H new ATOM 0 HD1 TRP A 22 -13.615 4.227 12.540 1.00 24.22 H new ATOM 0 HE1 TRP A 22 -12.497 2.590 14.203 1.00 61.30 H new ATOM 0 HE3 TRP A 22 -15.381 6.254 16.886 1.00 12.25 H new ATOM 0 HZ2 TRP A 22 -12.407 2.251 16.993 1.00 42.35 H new ATOM 0 HZ3 TRP A 22 -14.735 5.213 19.022 1.00 1.32 H new ATOM 0 HH2 TRP A 22 -13.263 3.240 19.074 1.00 43.43 H new ATOM 294 N THR A 23 -18.417 7.623 14.223 1.00 42.11 N ATOM 295 CA THR A 23 -19.233 8.816 14.032 1.00 14.21 C ATOM 296 C THR A 23 -18.684 9.990 14.835 1.00 11.45 C ATOM 297 O THR A 23 -18.691 9.971 16.066 1.00 1.44 O ATOM 298 CB THR A 23 -20.696 8.568 14.442 1.00 1.00 C ATOM 299 OG1 THR A 23 -21.172 7.355 13.848 1.00 30.12 O ATOM 300 CG2 THR A 23 -21.582 9.728 14.014 1.00 71.33 C ATOM 0 H THR A 23 -18.606 7.117 15.089 1.00 42.11 H new ATOM 0 HA THR A 23 -19.198 9.057 12.969 1.00 14.21 H new ATOM 0 HB THR A 23 -20.736 8.482 15.528 1.00 1.00 H new ATOM 0 HG1 THR A 23 -22.103 7.203 14.115 1.00 30.12 H new ATOM 0 HG21 THR A 23 -22.611 9.530 14.314 1.00 71.33 H new ATOM 0 HG22 THR A 23 -21.235 10.645 14.490 1.00 71.33 H new ATOM 0 HG23 THR A 23 -21.536 9.841 12.931 1.00 71.33 H new ATOM 308 N VAL A 24 -18.209 11.012 14.129 1.00 70.14 N ATOM 309 CA VAL A 24 -17.659 12.198 14.777 1.00 33.41 C ATOM 310 C VAL A 24 -18.611 13.382 14.659 1.00 21.25 C ATOM 311 O VAL A 24 -19.117 13.680 13.577 1.00 42.30 O ATOM 312 CB VAL A 24 -16.296 12.586 14.172 1.00 23.34 C ATOM 313 CG1 VAL A 24 -15.643 13.688 14.990 1.00 44.54 C ATOM 314 CG2 VAL A 24 -15.388 11.369 14.080 1.00 11.23 C ATOM 0 H VAL A 24 -18.194 11.043 13.110 1.00 70.14 H new ATOM 0 HA VAL A 24 -17.524 11.949 15.830 1.00 33.41 H new ATOM 0 HB VAL A 24 -16.461 12.965 13.163 1.00 23.34 H new ATOM 0 HG11 VAL A 24 -14.682 13.949 14.547 1.00 44.54 H new ATOM 0 HG12 VAL A 24 -16.289 14.566 14.998 1.00 44.54 H new ATOM 0 HG13 VAL A 24 -15.490 13.341 16.012 1.00 44.54 H new ATOM 0 HG21 VAL A 24 -14.430 11.662 13.651 1.00 11.23 H new ATOM 0 HG22 VAL A 24 -15.228 10.958 15.077 1.00 11.23 H new ATOM 0 HG23 VAL A 24 -15.854 10.614 13.447 1.00 11.23 H new ATOM 324 N LYS A 25 -18.853 14.054 15.779 1.00 12.10 N ATOM 325 CA LYS A 25 -19.745 15.207 15.802 1.00 55.35 C ATOM 326 C LYS A 25 -19.202 16.295 16.725 1.00 14.22 C ATOM 327 O LYS A 25 -19.045 16.082 17.925 1.00 73.13 O ATOM 328 CB LYS A 25 -21.143 14.788 16.259 1.00 64.43 C ATOM 329 CG LYS A 25 -22.168 15.907 16.185 1.00 62.51 C ATOM 330 CD LYS A 25 -23.387 15.494 15.377 1.00 55.35 C ATOM 331 CE LYS A 25 -24.364 14.685 16.215 1.00 43.42 C ATOM 332 NZ LYS A 25 -25.752 15.214 16.113 1.00 21.33 N ATOM 0 H LYS A 25 -18.444 13.820 16.683 1.00 12.10 H new ATOM 0 HA LYS A 25 -19.806 15.608 14.790 1.00 55.35 H new ATOM 0 HB2 LYS A 25 -21.482 13.954 15.644 1.00 64.43 H new ATOM 0 HB3 LYS A 25 -21.087 14.425 17.285 1.00 64.43 H new ATOM 0 HG2 LYS A 25 -22.476 16.187 17.192 1.00 62.51 H new ATOM 0 HG3 LYS A 25 -21.713 16.789 15.734 1.00 62.51 H new ATOM 0 HD2 LYS A 25 -23.887 16.382 14.991 1.00 55.35 H new ATOM 0 HD3 LYS A 25 -23.071 14.906 14.515 1.00 55.35 H new ATOM 0 HE2 LYS A 25 -24.347 13.645 15.890 1.00 43.42 H new ATOM 0 HE3 LYS A 25 -24.046 14.698 17.257 1.00 43.42 H new ATOM 0 HZ1 LYS A 25 -26.388 14.636 16.698 1.00 21.33 H new ATOM 0 HZ2 LYS A 25 -25.774 16.199 16.447 1.00 21.33 H new ATOM 0 HZ3 LYS A 25 -26.065 15.178 15.122 1.00 21.33 H new ATOM 346 N ASN A 26 -18.919 17.461 16.154 1.00 40.21 N ATOM 347 CA ASN A 26 -18.395 18.583 16.925 1.00 50.32 C ATOM 348 C ASN A 26 -19.468 19.647 17.134 1.00 62.01 C ATOM 349 O ASN A 26 -20.123 20.080 16.186 1.00 21.32 O ATOM 350 CB ASN A 26 -17.185 19.195 16.217 1.00 11.30 C ATOM 351 CG ASN A 26 -17.547 19.806 14.877 1.00 62.31 C ATOM 352 OD1 ASN A 26 -17.817 21.003 14.780 1.00 74.20 O ATOM 353 ND2 ASN A 26 -17.555 18.983 13.834 1.00 60.44 N ATOM 0 H ASN A 26 -19.044 17.654 15.160 1.00 40.21 H new ATOM 0 HA ASN A 26 -18.085 18.208 17.900 1.00 50.32 H new ATOM 0 HB2 ASN A 26 -16.743 19.961 16.855 1.00 11.30 H new ATOM 0 HB3 ASN A 26 -16.427 18.426 16.070 1.00 11.30 H new ATOM 0 HD21 ASN A 26 -17.792 19.337 12.907 1.00 60.44 H new ATOM 0 HD22 ASN A 26 -17.325 17.997 13.960 1.00 60.44 H new ATOM 360 N THR A 27 -19.642 20.067 18.384 1.00 42.41 N ATOM 361 CA THR A 27 -20.634 21.080 18.719 1.00 22.51 C ATOM 362 C THR A 27 -20.391 21.649 20.112 1.00 12.21 C ATOM 363 O THR A 27 -20.060 20.916 21.043 1.00 13.12 O ATOM 364 CB THR A 27 -22.063 20.509 18.652 1.00 64.32 C ATOM 365 OG1 THR A 27 -23.019 21.560 18.834 1.00 4.33 O ATOM 366 CG2 THR A 27 -22.270 19.441 19.715 1.00 2.44 C ATOM 0 H THR A 27 -19.108 19.720 19.181 1.00 42.41 H new ATOM 0 HA THR A 27 -20.533 21.877 17.982 1.00 22.51 H new ATOM 0 HB THR A 27 -22.203 20.055 17.671 1.00 64.32 H new ATOM 0 HG1 THR A 27 -23.925 21.190 18.788 1.00 4.33 H new ATOM 0 HG21 THR A 27 -23.286 19.053 19.648 1.00 2.44 H new ATOM 0 HG22 THR A 27 -21.560 18.629 19.558 1.00 2.44 H new ATOM 0 HG23 THR A 27 -22.112 19.875 20.702 1.00 2.44 H new ATOM 374 N GLY A 28 -20.560 22.961 20.248 1.00 73.12 N ATOM 375 CA GLY A 28 -20.354 23.605 21.533 1.00 62.00 C ATOM 376 C GLY A 28 -18.921 24.056 21.732 1.00 35.13 C ATOM 377 O GLY A 28 -18.670 25.183 22.161 1.00 54.52 O ATOM 0 H GLY A 28 -20.835 23.589 19.493 1.00 73.12 H new ATOM 0 HA2 GLY A 28 -21.017 24.466 21.615 1.00 62.00 H new ATOM 0 HA3 GLY A 28 -20.628 22.914 22.330 1.00 62.00 H new ATOM 381 N THR A 29 -17.976 23.173 21.423 1.00 51.13 N ATOM 382 CA THR A 29 -16.560 23.486 21.574 1.00 33.45 C ATOM 383 C THR A 29 -16.185 24.734 20.785 1.00 42.33 C ATOM 384 O THR A 29 -17.019 25.317 20.090 1.00 53.00 O ATOM 385 CB THR A 29 -15.675 22.314 21.110 1.00 14.34 C ATOM 386 OG1 THR A 29 -16.490 21.263 20.581 1.00 12.40 O ATOM 387 CG2 THR A 29 -14.835 21.781 22.260 1.00 54.04 C ATOM 0 H THR A 29 -18.166 22.236 21.067 1.00 51.13 H new ATOM 0 HA THR A 29 -16.387 23.666 22.635 1.00 33.45 H new ATOM 0 HB THR A 29 -15.006 22.680 20.332 1.00 14.34 H new ATOM 0 HG1 THR A 29 -15.919 20.523 20.287 1.00 12.40 H new ATOM 0 HG21 THR A 29 -14.219 20.954 21.908 1.00 54.04 H new ATOM 0 HG22 THR A 29 -14.193 22.576 22.640 1.00 54.04 H new ATOM 0 HG23 THR A 29 -15.490 21.431 23.057 1.00 54.04 H new ATOM 395 N THR A 30 -14.925 25.144 20.895 1.00 35.43 N ATOM 396 CA THR A 30 -14.440 26.324 20.193 1.00 52.00 C ATOM 397 C THR A 30 -14.131 26.008 18.734 1.00 1.05 C ATOM 398 O THR A 30 -14.178 24.851 18.316 1.00 12.41 O ATOM 399 CB THR A 30 -13.174 26.895 20.861 1.00 5.11 C ATOM 400 OG1 THR A 30 -12.297 25.828 21.240 1.00 44.21 O ATOM 401 CG2 THR A 30 -13.536 27.722 22.086 1.00 33.15 C ATOM 0 H THR A 30 -14.221 24.674 21.465 1.00 35.43 H new ATOM 0 HA THR A 30 -15.235 27.068 20.241 1.00 52.00 H new ATOM 0 HB THR A 30 -12.669 27.541 20.143 1.00 5.11 H new ATOM 0 HG1 THR A 30 -11.494 26.199 21.662 1.00 44.21 H new ATOM 0 HG21 THR A 30 -12.627 28.115 22.541 1.00 33.15 H new ATOM 0 HG22 THR A 30 -14.180 28.550 21.789 1.00 33.15 H new ATOM 0 HG23 THR A 30 -14.061 27.095 22.807 1.00 33.15 H new ATOM 409 N SER A 31 -13.816 27.044 17.962 1.00 63.42 N ATOM 410 CA SER A 31 -13.503 26.876 16.548 1.00 31.03 C ATOM 411 C SER A 31 -12.435 25.805 16.352 1.00 54.44 C ATOM 412 O SER A 31 -11.267 26.007 16.688 1.00 31.43 O ATOM 413 CB SER A 31 -13.029 28.201 15.948 1.00 64.23 C ATOM 414 OG SER A 31 -11.748 28.554 16.440 1.00 40.53 O ATOM 0 H SER A 31 -13.771 28.008 18.292 1.00 63.42 H new ATOM 0 HA SER A 31 -14.411 26.557 16.035 1.00 31.03 H new ATOM 0 HB2 SER A 31 -12.995 28.120 14.862 1.00 64.23 H new ATOM 0 HB3 SER A 31 -13.744 28.989 16.187 1.00 64.23 H new ATOM 0 HG SER A 31 -11.353 27.787 16.904 1.00 40.53 H new ATOM 420 N LEU A 32 -12.842 24.665 15.805 1.00 53.33 N ATOM 421 CA LEU A 32 -11.920 23.560 15.562 1.00 21.32 C ATOM 422 C LEU A 32 -11.127 23.784 14.279 1.00 2.13 C ATOM 423 O LEU A 32 -11.242 24.830 13.640 1.00 71.34 O ATOM 424 CB LEU A 32 -12.688 22.240 15.477 1.00 25.35 C ATOM 425 CG LEU A 32 -12.349 21.196 16.542 1.00 33.21 C ATOM 426 CD1 LEU A 32 -13.206 21.400 17.781 1.00 74.44 C ATOM 427 CD2 LEU A 32 -12.533 19.790 15.989 1.00 41.04 C ATOM 0 H LEU A 32 -13.804 24.481 15.521 1.00 53.33 H new ATOM 0 HA LEU A 32 -11.219 23.513 16.396 1.00 21.32 H new ATOM 0 HB2 LEU A 32 -13.754 22.459 15.538 1.00 25.35 H new ATOM 0 HB3 LEU A 32 -12.508 21.801 14.496 1.00 25.35 H new ATOM 0 HG LEU A 32 -11.303 21.319 16.824 1.00 33.21 H new ATOM 0 HD11 LEU A 32 -12.951 20.648 18.528 1.00 74.44 H new ATOM 0 HD12 LEU A 32 -13.024 22.394 18.190 1.00 74.44 H new ATOM 0 HD13 LEU A 32 -14.259 21.304 17.515 1.00 74.44 H new ATOM 0 HD21 LEU A 32 -12.287 19.060 16.761 1.00 41.04 H new ATOM 0 HD22 LEU A 32 -13.569 19.654 15.678 1.00 41.04 H new ATOM 0 HD23 LEU A 32 -11.875 19.647 15.132 1.00 41.04 H new ATOM 439 N SER A 33 -10.324 22.793 13.906 1.00 24.24 N ATOM 440 CA SER A 33 -9.510 22.883 12.699 1.00 2.24 C ATOM 441 C SER A 33 -9.371 21.516 12.036 1.00 14.42 C ATOM 442 O SER A 33 -9.646 21.360 10.845 1.00 31.51 O ATOM 443 CB SER A 33 -8.127 23.444 13.031 1.00 74.45 C ATOM 444 OG SER A 33 -8.224 24.746 13.585 1.00 1.35 O ATOM 0 H SER A 33 -10.219 21.919 14.421 1.00 24.24 H new ATOM 0 HA SER A 33 -10.009 23.557 12.003 1.00 2.24 H new ATOM 0 HB2 SER A 33 -7.622 22.782 13.735 1.00 74.45 H new ATOM 0 HB3 SER A 33 -7.517 23.474 12.128 1.00 74.45 H new ATOM 0 HG SER A 33 -7.327 25.082 13.790 1.00 1.35 H new ATOM 450 N SER A 34 -8.941 20.529 12.814 1.00 34.42 N ATOM 451 CA SER A 34 -8.760 19.174 12.303 1.00 65.22 C ATOM 452 C SER A 34 -9.188 18.141 13.340 1.00 32.25 C ATOM 453 O SER A 34 -8.943 18.306 14.535 1.00 23.52 O ATOM 454 CB SER A 34 -7.299 18.945 11.911 1.00 45.41 C ATOM 455 OG SER A 34 -6.636 20.175 11.672 1.00 25.13 O ATOM 0 H SER A 34 -8.711 20.641 13.801 1.00 34.42 H new ATOM 0 HA SER A 34 -9.388 19.058 11.420 1.00 65.22 H new ATOM 0 HB2 SER A 34 -6.787 18.401 12.705 1.00 45.41 H new ATOM 0 HB3 SER A 34 -7.252 18.323 11.017 1.00 45.41 H new ATOM 0 HG SER A 34 -5.704 20.001 11.425 1.00 25.13 H new ATOM 461 N TRP A 35 -9.828 17.075 12.873 1.00 33.55 N ATOM 462 CA TRP A 35 -10.291 16.012 13.759 1.00 74.01 C ATOM 463 C TRP A 35 -9.497 14.730 13.533 1.00 11.30 C ATOM 464 O TRP A 35 -9.382 14.249 12.406 1.00 34.15 O ATOM 465 CB TRP A 35 -11.780 15.749 13.539 1.00 63.20 C ATOM 466 CG TRP A 35 -12.111 15.348 12.133 1.00 23.40 C ATOM 467 CD1 TRP A 35 -12.414 16.180 11.093 1.00 13.30 C ATOM 468 CD2 TRP A 35 -12.176 14.015 11.615 1.00 44.50 C ATOM 469 NE1 TRP A 35 -12.661 15.445 9.959 1.00 22.13 N ATOM 470 CE2 TRP A 35 -12.521 14.113 10.253 1.00 44.14 C ATOM 471 CE3 TRP A 35 -11.974 12.748 12.167 1.00 73.24 C ATOM 472 CZ2 TRP A 35 -12.669 12.993 9.439 1.00 64.12 C ATOM 473 CZ3 TRP A 35 -12.122 11.636 11.359 1.00 54.45 C ATOM 474 CH2 TRP A 35 -12.466 11.765 10.008 1.00 14.42 C ATOM 0 H TRP A 35 -10.038 16.923 11.886 1.00 33.55 H new ATOM 0 HA TRP A 35 -10.135 16.337 14.788 1.00 74.01 H new ATOM 0 HB2 TRP A 35 -12.107 14.963 14.220 1.00 63.20 H new ATOM 0 HB3 TRP A 35 -12.342 16.647 13.795 1.00 63.20 H new ATOM 0 HD1 TRP A 35 -12.454 17.258 11.153 1.00 13.30 H new ATOM 0 HE1 TRP A 35 -12.908 15.828 9.047 1.00 22.13 H new ATOM 0 HE3 TRP A 35 -11.707 12.639 13.208 1.00 73.24 H new ATOM 0 HZ2 TRP A 35 -12.934 13.090 8.397 1.00 64.12 H new ATOM 0 HZ3 TRP A 35 -11.970 10.652 11.777 1.00 54.45 H new ATOM 0 HH2 TRP A 35 -12.573 10.877 9.402 1.00 14.42 H new ATOM 485 N THR A 36 -8.949 14.180 14.612 1.00 34.31 N ATOM 486 CA THR A 36 -8.165 12.954 14.532 1.00 10.33 C ATOM 487 C THR A 36 -8.692 11.899 15.498 1.00 14.23 C ATOM 488 O THR A 36 -8.613 12.062 16.714 1.00 75.24 O ATOM 489 CB THR A 36 -6.678 13.217 14.837 1.00 75.34 C ATOM 490 OG1 THR A 36 -6.177 14.250 13.981 1.00 71.22 O ATOM 491 CG2 THR A 36 -5.855 11.951 14.650 1.00 50.23 C ATOM 0 H THR A 36 -9.034 14.565 15.553 1.00 34.31 H new ATOM 0 HA THR A 36 -8.259 12.585 13.511 1.00 10.33 H new ATOM 0 HB THR A 36 -6.594 13.535 15.876 1.00 75.34 H new ATOM 0 HG1 THR A 36 -5.232 14.412 14.183 1.00 71.22 H new ATOM 0 HG21 THR A 36 -4.809 12.161 14.871 1.00 50.23 H new ATOM 0 HG22 THR A 36 -6.220 11.177 15.325 1.00 50.23 H new ATOM 0 HG23 THR A 36 -5.946 11.607 13.620 1.00 50.23 H new ATOM 499 N VAL A 37 -9.231 10.816 14.946 1.00 71.41 N ATOM 500 CA VAL A 37 -9.770 9.732 15.760 1.00 42.42 C ATOM 501 C VAL A 37 -8.792 8.565 15.838 1.00 23.11 C ATOM 502 O VAL A 37 -8.632 7.812 14.877 1.00 43.13 O ATOM 503 CB VAL A 37 -11.113 9.227 15.202 1.00 53.01 C ATOM 504 CG1 VAL A 37 -11.811 8.334 16.217 1.00 60.34 C ATOM 505 CG2 VAL A 37 -12.001 10.398 14.809 1.00 2.05 C ATOM 0 H VAL A 37 -9.306 10.666 13.940 1.00 71.41 H new ATOM 0 HA VAL A 37 -9.929 10.135 16.760 1.00 42.42 H new ATOM 0 HB VAL A 37 -10.916 8.635 14.308 1.00 53.01 H new ATOM 0 HG11 VAL A 37 -12.758 7.987 15.805 1.00 60.34 H new ATOM 0 HG12 VAL A 37 -11.178 7.476 16.444 1.00 60.34 H new ATOM 0 HG13 VAL A 37 -11.998 8.898 17.131 1.00 60.34 H new ATOM 0 HG21 VAL A 37 -12.946 10.022 14.417 1.00 2.05 H new ATOM 0 HG22 VAL A 37 -12.193 11.019 15.684 1.00 2.05 H new ATOM 0 HG23 VAL A 37 -11.501 10.993 14.044 1.00 2.05 H new ATOM 515 N GLU A 38 -8.142 8.420 16.988 1.00 35.01 N ATOM 516 CA GLU A 38 -7.180 7.343 17.190 1.00 75.14 C ATOM 517 C GLU A 38 -7.563 6.491 18.397 1.00 54.21 C ATOM 518 O GLU A 38 -8.234 6.962 19.314 1.00 64.43 O ATOM 519 CB GLU A 38 -5.773 7.915 17.382 1.00 1.10 C ATOM 520 CG GLU A 38 -5.626 8.761 18.636 1.00 31.41 C ATOM 521 CD GLU A 38 -5.763 10.245 18.359 1.00 70.30 C ATOM 522 OE1 GLU A 38 -6.902 10.701 18.126 1.00 5.01 O ATOM 523 OE2 GLU A 38 -4.733 10.950 18.375 1.00 2.32 O ATOM 0 H GLU A 38 -8.264 9.034 17.793 1.00 35.01 H new ATOM 0 HA GLU A 38 -7.190 6.711 16.302 1.00 75.14 H new ATOM 0 HB2 GLU A 38 -5.058 7.093 17.422 1.00 1.10 H new ATOM 0 HB3 GLU A 38 -5.514 8.520 16.513 1.00 1.10 H new ATOM 0 HG2 GLU A 38 -6.380 8.460 19.363 1.00 31.41 H new ATOM 0 HG3 GLU A 38 -4.653 8.568 19.088 1.00 31.41 H new ATOM 530 N TRP A 39 -7.130 5.235 18.388 1.00 42.45 N ATOM 531 CA TRP A 39 -7.428 4.316 19.481 1.00 2.41 C ATOM 532 C TRP A 39 -6.376 3.217 19.569 1.00 33.04 C ATOM 533 O TRP A 39 -5.556 3.056 18.665 1.00 11.22 O ATOM 534 CB TRP A 39 -8.815 3.700 19.292 1.00 14.55 C ATOM 535 CG TRP A 39 -9.512 4.173 18.052 1.00 20.20 C ATOM 536 CD1 TRP A 39 -10.563 5.042 17.985 1.00 23.01 C ATOM 537 CD2 TRP A 39 -9.208 3.800 16.703 1.00 44.02 C ATOM 538 NE1 TRP A 39 -10.931 5.233 16.675 1.00 23.11 N ATOM 539 CE2 TRP A 39 -10.115 4.483 15.870 1.00 5.42 C ATOM 540 CE3 TRP A 39 -8.257 2.960 16.119 1.00 22.51 C ATOM 541 CZ2 TRP A 39 -10.098 4.347 14.484 1.00 1.51 C ATOM 542 CZ3 TRP A 39 -8.242 2.826 14.744 1.00 11.33 C ATOM 543 CH2 TRP A 39 -9.157 3.517 13.938 1.00 43.34 C ATOM 0 H TRP A 39 -6.572 4.830 17.637 1.00 42.45 H new ATOM 0 HA TRP A 39 -7.414 4.881 20.413 1.00 2.41 H new ATOM 0 HB2 TRP A 39 -8.721 2.615 19.255 1.00 14.55 H new ATOM 0 HB3 TRP A 39 -9.431 3.937 20.159 1.00 14.55 H new ATOM 0 HD1 TRP A 39 -11.035 5.510 18.836 1.00 23.01 H new ATOM 0 HE1 TRP A 39 -11.689 5.836 16.354 1.00 23.11 H new ATOM 0 HE3 TRP A 39 -7.546 2.425 16.731 1.00 22.51 H new ATOM 0 HZ2 TRP A 39 -10.803 4.878 13.862 1.00 1.51 H new ATOM 0 HZ3 TRP A 39 -7.512 2.177 14.282 1.00 11.33 H new ATOM 0 HH2 TRP A 39 -9.119 3.392 12.866 1.00 43.34 H new ATOM 554 N ASP A 40 -6.405 2.463 20.663 1.00 12.15 N ATOM 555 CA ASP A 40 -5.453 1.377 20.867 1.00 22.50 C ATOM 556 C ASP A 40 -6.069 0.035 20.481 1.00 44.42 C ATOM 557 O ASP A 40 -7.178 -0.295 20.901 1.00 65.21 O ATOM 558 CB ASP A 40 -4.996 1.340 22.326 1.00 33.13 C ATOM 559 CG ASP A 40 -3.555 0.890 22.469 1.00 33.14 C ATOM 560 OD1 ASP A 40 -2.675 1.509 21.837 1.00 12.43 O ATOM 561 OD2 ASP A 40 -3.308 -0.082 23.213 1.00 32.34 O ATOM 0 H ASP A 40 -7.077 2.584 21.421 1.00 12.15 H new ATOM 0 HA ASP A 40 -4.589 1.558 20.227 1.00 22.50 H new ATOM 0 HB2 ASP A 40 -5.109 2.331 22.765 1.00 33.13 H new ATOM 0 HB3 ASP A 40 -5.642 0.666 22.889 1.00 33.13 H new ATOM 566 N PHE A 41 -5.342 -0.734 19.677 1.00 61.33 N ATOM 567 CA PHE A 41 -5.817 -2.039 19.232 1.00 71.54 C ATOM 568 C PHE A 41 -4.961 -3.158 19.818 1.00 12.11 C ATOM 569 O PHE A 41 -4.127 -3.756 19.138 1.00 74.14 O ATOM 570 CB PHE A 41 -5.802 -2.117 17.704 1.00 2.11 C ATOM 571 CG PHE A 41 -7.109 -1.729 17.072 1.00 34.35 C ATOM 572 CD1 PHE A 41 -8.300 -2.274 17.523 1.00 23.23 C ATOM 573 CD2 PHE A 41 -7.145 -0.822 16.025 1.00 61.22 C ATOM 574 CE1 PHE A 41 -9.503 -1.920 16.942 1.00 24.42 C ATOM 575 CE2 PHE A 41 -8.345 -0.463 15.441 1.00 32.24 C ATOM 576 CZ PHE A 41 -9.526 -1.014 15.901 1.00 61.05 C ATOM 0 H PHE A 41 -4.422 -0.476 19.320 1.00 61.33 H new ATOM 0 HA PHE A 41 -6.840 -2.165 19.585 1.00 71.54 H new ATOM 0 HB2 PHE A 41 -5.015 -1.466 17.322 1.00 2.11 H new ATOM 0 HB3 PHE A 41 -5.549 -3.133 17.402 1.00 2.11 H new ATOM 0 HD1 PHE A 41 -8.288 -2.983 18.337 1.00 23.23 H new ATOM 0 HD2 PHE A 41 -6.224 -0.390 15.661 1.00 61.22 H new ATOM 0 HE1 PHE A 41 -10.425 -2.352 17.302 1.00 24.42 H new ATOM 0 HE2 PHE A 41 -8.360 0.247 14.627 1.00 32.24 H new ATOM 0 HZ PHE A 41 -10.466 -0.736 15.447 1.00 61.05 H new ATOM 586 N PRO A 42 -5.171 -3.449 21.110 1.00 22.02 N ATOM 587 CA PRO A 42 -4.430 -4.497 21.817 1.00 53.12 C ATOM 588 C PRO A 42 -4.806 -5.896 21.339 1.00 63.42 C ATOM 589 O PRO A 42 -3.938 -6.711 21.028 1.00 34.44 O ATOM 590 CB PRO A 42 -4.843 -4.301 23.277 1.00 64.51 C ATOM 591 CG PRO A 42 -6.179 -3.645 23.208 1.00 71.20 C ATOM 592 CD PRO A 42 -6.151 -2.776 21.981 1.00 32.41 C ATOM 0 HA PRO A 42 -3.356 -4.419 21.650 1.00 53.12 H new ATOM 0 HB2 PRO A 42 -4.896 -5.253 23.805 1.00 64.51 H new ATOM 0 HB3 PRO A 42 -4.124 -3.680 23.812 1.00 64.51 H new ATOM 0 HG2 PRO A 42 -6.975 -4.387 23.143 1.00 71.20 H new ATOM 0 HG3 PRO A 42 -6.369 -3.051 24.102 1.00 71.20 H new ATOM 0 HD2 PRO A 42 -7.132 -2.714 21.510 1.00 32.41 H new ATOM 0 HD3 PRO A 42 -5.846 -1.757 22.217 1.00 32.41 H new ATOM 600 N THR A 43 -6.106 -6.167 21.284 1.00 23.23 N ATOM 601 CA THR A 43 -6.598 -7.468 20.846 1.00 43.33 C ATOM 602 C THR A 43 -6.393 -7.656 19.347 1.00 11.31 C ATOM 603 O THR A 43 -6.491 -6.705 18.573 1.00 42.31 O ATOM 604 CB THR A 43 -8.092 -7.643 21.174 1.00 65.13 C ATOM 605 OG1 THR A 43 -8.847 -6.560 20.618 1.00 33.22 O ATOM 606 CG2 THR A 43 -8.313 -7.702 22.678 1.00 62.11 C ATOM 0 H THR A 43 -6.838 -5.503 21.537 1.00 23.23 H new ATOM 0 HA THR A 43 -6.025 -8.221 21.386 1.00 43.33 H new ATOM 0 HB THR A 43 -8.429 -8.582 20.736 1.00 65.13 H new ATOM 0 HG1 THR A 43 -9.796 -6.680 20.830 1.00 33.22 H new ATOM 0 HG21 THR A 43 -9.376 -7.826 22.885 1.00 62.11 H new ATOM 0 HG22 THR A 43 -7.762 -8.545 23.094 1.00 62.11 H new ATOM 0 HG23 THR A 43 -7.960 -6.777 23.134 1.00 62.11 H new ATOM 614 N GLY A 44 -6.107 -8.890 18.944 1.00 13.15 N ATOM 615 CA GLY A 44 -5.893 -9.180 17.538 1.00 34.43 C ATOM 616 C GLY A 44 -6.802 -8.372 16.634 1.00 31.00 C ATOM 617 O GLY A 44 -7.970 -8.714 16.448 1.00 11.12 O ATOM 0 H GLY A 44 -6.020 -9.694 19.566 1.00 13.15 H new ATOM 0 HA2 GLY A 44 -4.854 -8.973 17.282 1.00 34.43 H new ATOM 0 HA3 GLY A 44 -6.060 -10.242 17.360 1.00 34.43 H new ATOM 621 N THR A 45 -6.267 -7.293 16.071 1.00 41.25 N ATOM 622 CA THR A 45 -7.038 -6.431 15.184 1.00 13.13 C ATOM 623 C THR A 45 -6.129 -5.688 14.212 1.00 51.12 C ATOM 624 O THR A 45 -4.939 -5.510 14.472 1.00 14.22 O ATOM 625 CB THR A 45 -7.868 -5.406 15.979 1.00 61.31 C ATOM 626 OG1 THR A 45 -7.061 -4.809 17.002 1.00 30.33 O ATOM 627 CG2 THR A 45 -9.086 -6.066 16.607 1.00 43.30 C ATOM 0 H THR A 45 -5.302 -6.995 16.214 1.00 41.25 H new ATOM 0 HA THR A 45 -7.713 -7.078 14.623 1.00 13.13 H new ATOM 0 HB THR A 45 -8.209 -4.634 15.289 1.00 61.31 H new ATOM 0 HG1 THR A 45 -7.357 -3.887 17.156 1.00 30.33 H new ATOM 0 HG21 THR A 45 -9.657 -5.322 17.163 1.00 43.30 H new ATOM 0 HG22 THR A 45 -9.713 -6.493 15.824 1.00 43.30 H new ATOM 0 HG23 THR A 45 -8.763 -6.856 17.284 1.00 43.30 H new ATOM 635 N LYS A 46 -6.697 -5.255 13.092 1.00 52.32 N ATOM 636 CA LYS A 46 -5.937 -4.529 12.080 1.00 24.20 C ATOM 637 C LYS A 46 -6.856 -4.013 10.977 1.00 22.41 C ATOM 638 O LYS A 46 -7.671 -4.760 10.435 1.00 10.45 O ATOM 639 CB LYS A 46 -4.857 -5.430 11.479 1.00 32.01 C ATOM 640 CG LYS A 46 -5.361 -6.811 11.097 1.00 11.33 C ATOM 641 CD LYS A 46 -4.758 -7.890 11.981 1.00 62.14 C ATOM 642 CE LYS A 46 -3.282 -8.097 11.680 1.00 20.34 C ATOM 643 NZ LYS A 46 -2.650 -9.051 12.634 1.00 24.22 N ATOM 0 H LYS A 46 -7.681 -5.394 12.862 1.00 52.32 H new ATOM 0 HA LYS A 46 -5.461 -3.675 12.562 1.00 24.20 H new ATOM 0 HB2 LYS A 46 -4.443 -4.946 10.595 1.00 32.01 H new ATOM 0 HB3 LYS A 46 -4.043 -5.535 12.196 1.00 32.01 H new ATOM 0 HG2 LYS A 46 -6.448 -6.838 11.179 1.00 11.33 H new ATOM 0 HG3 LYS A 46 -5.114 -7.014 10.055 1.00 11.33 H new ATOM 0 HD2 LYS A 46 -4.882 -7.615 13.028 1.00 62.14 H new ATOM 0 HD3 LYS A 46 -5.296 -8.826 11.832 1.00 62.14 H new ATOM 0 HE2 LYS A 46 -3.168 -8.471 10.663 1.00 20.34 H new ATOM 0 HE3 LYS A 46 -2.764 -7.139 11.727 1.00 20.34 H new ATOM 0 HZ1 LYS A 46 -1.644 -9.165 12.395 1.00 24.22 H new ATOM 0 HZ2 LYS A 46 -2.736 -8.682 13.602 1.00 24.22 H new ATOM 0 HZ3 LYS A 46 -3.128 -9.973 12.571 1.00 24.22 H new ATOM 657 N VAL A 47 -6.718 -2.732 10.649 1.00 21.34 N ATOM 658 CA VAL A 47 -7.535 -2.118 9.608 1.00 52.34 C ATOM 659 C VAL A 47 -6.872 -2.250 8.241 1.00 65.21 C ATOM 660 O VAL A 47 -5.895 -1.564 7.942 1.00 3.00 O ATOM 661 CB VAL A 47 -7.788 -0.627 9.901 1.00 60.12 C ATOM 662 CG1 VAL A 47 -8.588 0.010 8.775 1.00 54.42 C ATOM 663 CG2 VAL A 47 -8.503 -0.461 11.234 1.00 11.34 C ATOM 0 H VAL A 47 -6.049 -2.100 11.088 1.00 21.34 H new ATOM 0 HA VAL A 47 -8.488 -2.647 9.599 1.00 52.34 H new ATOM 0 HB VAL A 47 -6.826 -0.118 9.964 1.00 60.12 H new ATOM 0 HG11 VAL A 47 -8.757 1.063 8.999 1.00 54.42 H new ATOM 0 HG12 VAL A 47 -8.034 -0.077 7.840 1.00 54.42 H new ATOM 0 HG13 VAL A 47 -9.547 -0.499 8.677 1.00 54.42 H new ATOM 0 HG21 VAL A 47 -8.674 0.598 11.426 1.00 11.34 H new ATOM 0 HG22 VAL A 47 -9.459 -0.983 11.201 1.00 11.34 H new ATOM 0 HG23 VAL A 47 -7.888 -0.879 12.031 1.00 11.34 H new ATOM 673 N THR A 48 -7.413 -3.139 7.412 1.00 52.44 N ATOM 674 CA THR A 48 -6.876 -3.363 6.076 1.00 55.45 C ATOM 675 C THR A 48 -7.351 -2.288 5.105 1.00 53.12 C ATOM 676 O THR A 48 -6.609 -1.870 4.215 1.00 22.20 O ATOM 677 CB THR A 48 -7.280 -4.745 5.532 1.00 10.13 C ATOM 678 OG1 THR A 48 -6.698 -4.953 4.240 1.00 52.23 O ATOM 679 CG2 THR A 48 -8.793 -4.868 5.438 1.00 23.51 C ATOM 0 H THR A 48 -8.222 -3.715 7.643 1.00 52.44 H new ATOM 0 HA THR A 48 -5.790 -3.318 6.161 1.00 55.45 H new ATOM 0 HB THR A 48 -6.912 -5.504 6.222 1.00 10.13 H new ATOM 0 HG1 THR A 48 -6.959 -5.835 3.902 1.00 52.23 H new ATOM 0 HG21 THR A 48 -9.055 -5.853 5.051 1.00 23.51 H new ATOM 0 HG22 THR A 48 -9.231 -4.739 6.428 1.00 23.51 H new ATOM 0 HG23 THR A 48 -9.179 -4.100 4.768 1.00 23.51 H new ATOM 687 N SER A 49 -8.590 -1.843 5.282 1.00 24.11 N ATOM 688 CA SER A 49 -9.167 -0.819 4.419 1.00 55.44 C ATOM 689 C SER A 49 -9.709 0.343 5.244 1.00 44.34 C ATOM 690 O SER A 49 -10.183 0.156 6.364 1.00 14.51 O ATOM 691 CB SER A 49 -10.282 -1.415 3.559 1.00 42.45 C ATOM 692 OG SER A 49 -10.015 -1.231 2.179 1.00 12.24 O ATOM 0 H SER A 49 -9.215 -2.176 6.016 1.00 24.11 H new ATOM 0 HA SER A 49 -8.379 -0.442 3.767 1.00 55.44 H new ATOM 0 HB2 SER A 49 -10.383 -2.479 3.775 1.00 42.45 H new ATOM 0 HB3 SER A 49 -11.233 -0.947 3.814 1.00 42.45 H new ATOM 0 HG SER A 49 -10.742 -1.622 1.650 1.00 12.24 H new ATOM 698 N ALA A 50 -9.639 1.545 4.680 1.00 74.11 N ATOM 699 CA ALA A 50 -10.125 2.738 5.361 1.00 3.42 C ATOM 700 C ALA A 50 -10.470 3.838 4.362 1.00 61.41 C ATOM 701 O ALA A 50 -9.791 4.005 3.349 1.00 50.11 O ATOM 702 CB ALA A 50 -9.090 3.236 6.359 1.00 61.22 C ATOM 0 H ALA A 50 -9.250 1.718 3.753 1.00 74.11 H new ATOM 0 HA ALA A 50 -11.035 2.473 5.900 1.00 3.42 H new ATOM 0 HB1 ALA A 50 -9.467 4.128 6.860 1.00 61.22 H new ATOM 0 HB2 ALA A 50 -8.895 2.460 7.099 1.00 61.22 H new ATOM 0 HB3 ALA A 50 -8.166 3.478 5.834 1.00 61.22 H new ATOM 708 N TRP A 51 -11.529 4.585 4.655 1.00 10.35 N ATOM 709 CA TRP A 51 -11.964 5.668 3.781 1.00 10.02 C ATOM 710 C TRP A 51 -12.470 6.854 4.594 1.00 73.13 C ATOM 711 O TRP A 51 -12.947 6.689 5.718 1.00 50.42 O ATOM 712 CB TRP A 51 -13.061 5.179 2.834 1.00 23.42 C ATOM 713 CG TRP A 51 -14.167 4.448 3.534 1.00 35.33 C ATOM 714 CD1 TRP A 51 -15.151 4.995 4.309 1.00 10.54 C ATOM 715 CD2 TRP A 51 -14.400 3.035 3.527 1.00 10.32 C ATOM 716 NE1 TRP A 51 -15.981 4.007 4.781 1.00 34.31 N ATOM 717 CE2 TRP A 51 -15.541 2.796 4.315 1.00 5.11 C ATOM 718 CE3 TRP A 51 -13.755 1.949 2.928 1.00 20.34 C ATOM 719 CZ2 TRP A 51 -16.051 1.516 4.521 1.00 13.40 C ATOM 720 CZ3 TRP A 51 -14.261 0.679 3.133 1.00 23.13 C ATOM 721 CH2 TRP A 51 -15.400 0.471 3.923 1.00 13.55 C ATOM 0 H TRP A 51 -12.101 4.461 5.490 1.00 10.35 H new ATOM 0 HA TRP A 51 -11.105 5.993 3.194 1.00 10.02 H new ATOM 0 HB2 TRP A 51 -13.479 6.033 2.302 1.00 23.42 H new ATOM 0 HB3 TRP A 51 -12.618 4.523 2.085 1.00 23.42 H new ATOM 0 HD1 TRP A 51 -15.260 6.049 4.519 1.00 10.54 H new ATOM 0 HE1 TRP A 51 -16.793 4.152 5.381 1.00 34.31 H new ATOM 0 HE3 TRP A 51 -12.878 2.099 2.316 1.00 20.34 H new ATOM 0 HZ2 TRP A 51 -16.928 1.354 5.130 1.00 13.40 H new ATOM 0 HZ3 TRP A 51 -13.770 -0.168 2.676 1.00 23.13 H new ATOM 0 HH2 TRP A 51 -15.771 -0.534 4.063 1.00 13.55 H new ATOM 732 N ASP A 52 -12.362 8.048 4.022 1.00 1.32 N ATOM 733 CA ASP A 52 -12.811 9.261 4.695 1.00 40.45 C ATOM 734 C ASP A 52 -11.982 9.525 5.948 1.00 50.22 C ATOM 735 O ASP A 52 -12.359 10.335 6.795 1.00 13.14 O ATOM 736 CB ASP A 52 -14.291 9.151 5.061 1.00 34.11 C ATOM 737 CG ASP A 52 -15.172 10.015 4.180 1.00 34.44 C ATOM 738 OD1 ASP A 52 -15.230 11.239 4.419 1.00 23.02 O ATOM 739 OD2 ASP A 52 -15.804 9.466 3.254 1.00 13.55 O ATOM 0 H ASP A 52 -11.967 8.202 3.094 1.00 1.32 H new ATOM 0 HA ASP A 52 -12.677 10.097 4.009 1.00 40.45 H new ATOM 0 HB2 ASP A 52 -14.607 8.111 4.977 1.00 34.11 H new ATOM 0 HB3 ASP A 52 -14.427 9.442 6.103 1.00 34.11 H new ATOM 744 N ALA A 53 -10.851 8.836 6.059 1.00 54.11 N ATOM 745 CA ALA A 53 -9.968 8.997 7.208 1.00 31.50 C ATOM 746 C ALA A 53 -8.663 8.235 7.009 1.00 13.42 C ATOM 747 O ALA A 53 -8.650 7.003 6.970 1.00 42.33 O ATOM 748 CB ALA A 53 -10.666 8.530 8.478 1.00 51.53 C ATOM 0 H ALA A 53 -10.525 8.161 5.367 1.00 54.11 H new ATOM 0 HA ALA A 53 -9.728 10.056 7.306 1.00 31.50 H new ATOM 0 HB1 ALA A 53 -9.996 8.655 9.329 1.00 51.53 H new ATOM 0 HB2 ALA A 53 -11.568 9.122 8.636 1.00 51.53 H new ATOM 0 HB3 ALA A 53 -10.935 7.478 8.380 1.00 51.53 H new ATOM 754 N THR A 54 -7.565 8.973 6.883 1.00 1.23 N ATOM 755 CA THR A 54 -6.255 8.367 6.684 1.00 75.51 C ATOM 756 C THR A 54 -5.834 7.555 7.905 1.00 3.34 C ATOM 757 O THR A 54 -5.214 8.081 8.829 1.00 2.15 O ATOM 758 CB THR A 54 -5.180 9.432 6.397 1.00 43.40 C ATOM 759 OG1 THR A 54 -5.712 10.444 5.533 1.00 32.44 O ATOM 760 CG2 THR A 54 -3.953 8.804 5.754 1.00 0.15 C ATOM 0 H THR A 54 -7.557 9.992 6.915 1.00 1.23 H new ATOM 0 HA THR A 54 -6.341 7.706 5.821 1.00 75.51 H new ATOM 0 HB THR A 54 -4.884 9.882 7.345 1.00 43.40 H new ATOM 0 HG1 THR A 54 -6.149 11.137 6.071 1.00 32.44 H new ATOM 0 HG21 THR A 54 -3.208 9.576 5.561 1.00 0.15 H new ATOM 0 HG22 THR A 54 -3.534 8.055 6.425 1.00 0.15 H new ATOM 0 HG23 THR A 54 -4.237 8.331 4.814 1.00 0.15 H new ATOM 768 N VAL A 55 -6.176 6.271 7.901 1.00 72.41 N ATOM 769 CA VAL A 55 -5.833 5.384 9.007 1.00 43.54 C ATOM 770 C VAL A 55 -4.395 4.891 8.890 1.00 65.03 C ATOM 771 O VAL A 55 -4.060 4.130 7.982 1.00 50.43 O ATOM 772 CB VAL A 55 -6.777 4.170 9.068 1.00 1.12 C ATOM 773 CG1 VAL A 55 -6.451 3.300 10.272 1.00 20.32 C ATOM 774 CG2 VAL A 55 -8.228 4.625 9.105 1.00 71.42 C ATOM 0 H VAL A 55 -6.691 5.821 7.144 1.00 72.41 H new ATOM 0 HA VAL A 55 -5.942 5.965 9.923 1.00 43.54 H new ATOM 0 HB VAL A 55 -6.631 3.572 8.168 1.00 1.12 H new ATOM 0 HG11 VAL A 55 -7.129 2.447 10.298 1.00 20.32 H new ATOM 0 HG12 VAL A 55 -5.423 2.945 10.197 1.00 20.32 H new ATOM 0 HG13 VAL A 55 -6.567 3.884 11.185 1.00 20.32 H new ATOM 0 HG21 VAL A 55 -8.882 3.754 9.148 1.00 71.42 H new ATOM 0 HG22 VAL A 55 -8.392 5.246 9.986 1.00 71.42 H new ATOM 0 HG23 VAL A 55 -8.451 5.202 8.208 1.00 71.42 H new ATOM 784 N THR A 56 -3.547 5.330 9.816 1.00 50.21 N ATOM 785 CA THR A 56 -2.145 4.935 9.817 1.00 1.34 C ATOM 786 C THR A 56 -1.801 4.132 11.066 1.00 52.03 C ATOM 787 O THR A 56 -1.920 4.628 12.186 1.00 23.23 O ATOM 788 CB THR A 56 -1.215 6.160 9.734 1.00 71.34 C ATOM 789 OG1 THR A 56 0.138 5.766 9.991 1.00 42.11 O ATOM 790 CG2 THR A 56 -1.636 7.226 10.735 1.00 10.10 C ATOM 0 H THR A 56 -3.808 5.960 10.575 1.00 50.21 H new ATOM 0 HA THR A 56 -1.992 4.313 8.935 1.00 1.34 H new ATOM 0 HB THR A 56 -1.287 6.577 8.729 1.00 71.34 H new ATOM 0 HG1 THR A 56 0.723 6.550 9.935 1.00 42.11 H new ATOM 0 HG21 THR A 56 -0.965 8.082 10.659 1.00 10.10 H new ATOM 0 HG22 THR A 56 -2.656 7.544 10.520 1.00 10.10 H new ATOM 0 HG23 THR A 56 -1.589 6.817 11.744 1.00 10.10 H new ATOM 798 N ASN A 57 -1.373 2.890 10.867 1.00 55.01 N ATOM 799 CA ASN A 57 -1.010 2.019 11.980 1.00 12.12 C ATOM 800 C ASN A 57 0.380 2.359 12.507 1.00 14.54 C ATOM 801 O ASN A 57 1.176 2.999 11.819 1.00 74.45 O ATOM 802 CB ASN A 57 -1.057 0.553 11.543 1.00 45.03 C ATOM 803 CG ASN A 57 0.237 0.101 10.896 1.00 22.42 C ATOM 804 OD1 ASN A 57 1.214 -0.198 11.582 1.00 15.12 O ATOM 805 ND2 ASN A 57 0.249 0.048 9.570 1.00 23.24 N ATOM 0 H ASN A 57 -1.269 2.464 9.946 1.00 55.01 H new ATOM 0 HA ASN A 57 -1.731 2.176 12.782 1.00 12.12 H new ATOM 0 HB2 ASN A 57 -1.266 -0.075 12.409 1.00 45.03 H new ATOM 0 HB3 ASN A 57 -1.879 0.412 10.842 1.00 45.03 H new ATOM 0 HD21 ASN A 57 1.092 -0.250 9.079 1.00 23.24 H new ATOM 0 HD22 ASN A 57 -0.585 0.305 9.042 1.00 23.24 H new ATOM 812 N SER A 58 0.666 1.926 13.731 1.00 44.43 N ATOM 813 CA SER A 58 1.958 2.188 14.352 1.00 74.13 C ATOM 814 C SER A 58 2.199 1.242 15.525 1.00 34.45 C ATOM 815 O SER A 58 1.922 1.578 16.676 1.00 1.12 O ATOM 816 CB SER A 58 2.034 3.639 14.830 1.00 54.21 C ATOM 817 OG SER A 58 2.634 4.468 13.849 1.00 41.41 O ATOM 0 H SER A 58 0.020 1.392 14.312 1.00 44.43 H new ATOM 0 HA SER A 58 2.733 2.018 13.605 1.00 74.13 H new ATOM 0 HB2 SER A 58 1.032 4.004 15.056 1.00 54.21 H new ATOM 0 HB3 SER A 58 2.608 3.691 15.755 1.00 54.21 H new ATOM 0 HG SER A 58 2.306 4.214 12.961 1.00 41.41 H new ATOM 823 N GLY A 59 2.717 0.054 15.223 1.00 65.31 N ATOM 824 CA GLY A 59 2.985 -0.924 16.261 1.00 63.05 C ATOM 825 C GLY A 59 1.716 -1.505 16.852 1.00 14.44 C ATOM 826 O GLY A 59 1.218 -2.529 16.383 1.00 63.33 O ATOM 0 H GLY A 59 2.955 -0.248 14.278 1.00 65.31 H new ATOM 0 HA2 GLY A 59 3.592 -1.730 15.849 1.00 63.05 H new ATOM 0 HA3 GLY A 59 3.570 -0.457 17.053 1.00 63.05 H new ATOM 830 N ASP A 60 1.194 -0.854 17.885 1.00 51.50 N ATOM 831 CA ASP A 60 -0.025 -1.314 18.541 1.00 50.24 C ATOM 832 C ASP A 60 -1.058 -0.194 18.613 1.00 25.41 C ATOM 833 O ASP A 60 -2.109 -0.345 19.237 1.00 44.12 O ATOM 834 CB ASP A 60 0.290 -1.824 19.948 1.00 33.40 C ATOM 835 CG ASP A 60 1.088 -3.113 19.931 1.00 72.54 C ATOM 836 OD1 ASP A 60 0.833 -3.957 19.047 1.00 31.51 O ATOM 837 OD2 ASP A 60 1.968 -3.278 20.802 1.00 53.24 O ATOM 0 H ASP A 60 1.595 -0.007 18.286 1.00 51.50 H new ATOM 0 HA ASP A 60 -0.441 -2.131 17.951 1.00 50.24 H new ATOM 0 HB2 ASP A 60 0.848 -1.062 20.491 1.00 33.40 H new ATOM 0 HB3 ASP A 60 -0.642 -1.984 20.490 1.00 33.40 H new ATOM 842 N HIS A 61 -0.754 0.928 17.971 1.00 11.41 N ATOM 843 CA HIS A 61 -1.656 2.074 17.961 1.00 22.14 C ATOM 844 C HIS A 61 -2.164 2.354 16.549 1.00 70.54 C ATOM 845 O HIS A 61 -1.451 2.138 15.570 1.00 3.43 O ATOM 846 CB HIS A 61 -0.951 3.311 18.518 1.00 2.13 C ATOM 847 CG HIS A 61 -1.740 4.574 18.356 1.00 12.20 C ATOM 848 ND1 HIS A 61 -2.585 5.062 19.330 1.00 5.13 N ATOM 849 CD2 HIS A 61 -1.807 5.450 17.327 1.00 50.33 C ATOM 850 CE1 HIS A 61 -3.140 6.184 18.905 1.00 62.44 C ATOM 851 NE2 HIS A 61 -2.684 6.442 17.693 1.00 71.03 N ATOM 0 H HIS A 61 0.111 1.069 17.450 1.00 11.41 H new ATOM 0 HA HIS A 61 -2.511 1.837 18.595 1.00 22.14 H new ATOM 0 HB2 HIS A 61 -0.744 3.155 19.577 1.00 2.13 H new ATOM 0 HB3 HIS A 61 0.011 3.427 18.019 1.00 2.13 H new ATOM 0 HD1 HIS A 61 -2.755 4.626 20.236 1.00 5.13 H new ATOM 0 HD2 HIS A 61 -1.271 5.382 16.392 1.00 50.33 H new ATOM 0 HE1 HIS A 61 -3.847 6.787 19.456 1.00 62.44 H new ATOM 859 N TRP A 62 -3.398 2.836 16.455 1.00 44.12 N ATOM 860 CA TRP A 62 -4.000 3.145 15.164 1.00 3.05 C ATOM 861 C TRP A 62 -4.710 4.495 15.202 1.00 32.12 C ATOM 862 O TRP A 62 -5.634 4.699 15.990 1.00 11.31 O ATOM 863 CB TRP A 62 -4.987 2.048 14.762 1.00 22.11 C ATOM 864 CG TRP A 62 -4.322 0.757 14.390 1.00 72.22 C ATOM 865 CD1 TRP A 62 -3.696 -0.115 15.235 1.00 71.10 C ATOM 866 CD2 TRP A 62 -4.216 0.194 13.079 1.00 4.40 C ATOM 867 NE1 TRP A 62 -3.206 -1.185 14.526 1.00 22.15 N ATOM 868 CE2 TRP A 62 -3.513 -1.020 13.201 1.00 20.52 C ATOM 869 CE3 TRP A 62 -4.648 0.597 11.812 1.00 53.23 C ATOM 870 CZ2 TRP A 62 -3.233 -1.832 12.105 1.00 51.45 C ATOM 871 CZ3 TRP A 62 -4.368 -0.209 10.725 1.00 24.44 C ATOM 872 CH2 TRP A 62 -3.667 -1.413 10.878 1.00 45.40 C ATOM 0 H TRP A 62 -4.001 3.021 17.257 1.00 44.12 H new ATOM 0 HA TRP A 62 -3.202 3.196 14.423 1.00 3.05 H new ATOM 0 HB2 TRP A 62 -5.676 1.869 15.588 1.00 22.11 H new ATOM 0 HB3 TRP A 62 -5.584 2.397 13.919 1.00 22.11 H new ATOM 0 HD1 TRP A 62 -3.600 0.017 16.303 1.00 71.10 H new ATOM 0 HE1 TRP A 62 -2.696 -1.975 14.922 1.00 22.15 H new ATOM 0 HE3 TRP A 62 -5.191 1.522 11.685 1.00 53.23 H new ATOM 0 HZ2 TRP A 62 -2.692 -2.760 12.220 1.00 51.45 H new ATOM 0 HZ3 TRP A 62 -4.695 0.094 9.741 1.00 24.44 H new ATOM 0 HH2 TRP A 62 -3.466 -2.022 10.009 1.00 45.40 H new ATOM 883 N THR A 63 -4.271 5.413 14.348 1.00 2.13 N ATOM 884 CA THR A 63 -4.864 6.743 14.285 1.00 45.24 C ATOM 885 C THR A 63 -5.402 7.041 12.890 1.00 73.13 C ATOM 886 O THR A 63 -4.860 6.568 11.892 1.00 3.23 O ATOM 887 CB THR A 63 -3.844 7.831 14.673 1.00 1.01 C ATOM 888 OG1 THR A 63 -4.439 9.128 14.545 1.00 71.33 O ATOM 889 CG2 THR A 63 -2.604 7.748 13.795 1.00 61.43 C ATOM 0 H THR A 63 -3.507 5.260 13.690 1.00 2.13 H new ATOM 0 HA THR A 63 -5.688 6.756 14.999 1.00 45.24 H new ATOM 0 HB THR A 63 -3.548 7.668 15.709 1.00 1.01 H new ATOM 0 HG1 THR A 63 -3.931 9.775 15.078 1.00 71.33 H new ATOM 0 HG21 THR A 63 -1.898 8.526 14.087 1.00 61.43 H new ATOM 0 HG22 THR A 63 -2.137 6.770 13.916 1.00 61.43 H new ATOM 0 HG23 THR A 63 -2.887 7.888 12.752 1.00 61.43 H new ATOM 897 N ALA A 64 -6.470 7.829 12.829 1.00 53.32 N ATOM 898 CA ALA A 64 -7.079 8.192 11.555 1.00 64.23 C ATOM 899 C ALA A 64 -7.256 9.703 11.443 1.00 45.31 C ATOM 900 O ALA A 64 -7.585 10.376 12.420 1.00 31.15 O ATOM 901 CB ALA A 64 -8.417 7.489 11.391 1.00 25.43 C ATOM 0 H ALA A 64 -6.931 8.228 13.646 1.00 53.32 H new ATOM 0 HA ALA A 64 -6.411 7.870 10.756 1.00 64.23 H new ATOM 0 HB1 ALA A 64 -8.861 7.769 10.436 1.00 25.43 H new ATOM 0 HB2 ALA A 64 -8.267 6.410 11.419 1.00 25.43 H new ATOM 0 HB3 ALA A 64 -9.084 7.783 12.201 1.00 25.43 H new ATOM 907 N LYS A 65 -7.035 10.232 10.243 1.00 24.31 N ATOM 908 CA LYS A 65 -7.170 11.663 10.002 1.00 43.50 C ATOM 909 C LYS A 65 -7.561 11.935 8.552 1.00 62.44 C ATOM 910 O LYS A 65 -6.853 11.546 7.625 1.00 44.12 O ATOM 911 CB LYS A 65 -5.861 12.383 10.331 1.00 42.32 C ATOM 912 CG LYS A 65 -4.634 11.717 9.734 1.00 34.22 C ATOM 913 CD LYS A 65 -4.051 10.675 10.675 1.00 12.41 C ATOM 914 CE LYS A 65 -2.933 11.257 11.527 1.00 11.05 C ATOM 915 NZ LYS A 65 -3.258 11.207 12.979 1.00 30.41 N ATOM 0 H LYS A 65 -6.762 9.690 9.423 1.00 24.31 H new ATOM 0 HA LYS A 65 -7.959 12.043 10.651 1.00 43.50 H new ATOM 0 HB2 LYS A 65 -5.920 13.409 9.968 1.00 42.32 H new ATOM 0 HB3 LYS A 65 -5.746 12.433 11.414 1.00 42.32 H new ATOM 0 HG2 LYS A 65 -4.899 11.246 8.787 1.00 34.22 H new ATOM 0 HG3 LYS A 65 -3.880 12.472 9.514 1.00 34.22 H new ATOM 0 HD2 LYS A 65 -4.838 10.286 11.321 1.00 12.41 H new ATOM 0 HD3 LYS A 65 -3.669 9.834 10.097 1.00 12.41 H new ATOM 0 HE2 LYS A 65 -2.011 10.706 11.342 1.00 11.05 H new ATOM 0 HE3 LYS A 65 -2.751 12.290 11.231 1.00 11.05 H new ATOM 0 HZ1 LYS A 65 -2.387 11.046 13.524 1.00 30.41 H new ATOM 0 HZ2 LYS A 65 -3.687 12.109 13.270 1.00 30.41 H new ATOM 0 HZ3 LYS A 65 -3.927 10.432 13.158 1.00 30.41 H new ATOM 929 N ASN A 66 -8.693 12.607 8.366 1.00 24.24 N ATOM 930 CA ASN A 66 -9.177 12.932 7.029 1.00 24.43 C ATOM 931 C ASN A 66 -8.725 14.328 6.611 1.00 24.34 C ATOM 932 O ASN A 66 -8.497 14.591 5.430 1.00 32.44 O ATOM 933 CB ASN A 66 -10.704 12.843 6.982 1.00 61.52 C ATOM 934 CG ASN A 66 -11.226 12.594 5.580 1.00 21.41 C ATOM 935 OD1 ASN A 66 -10.463 12.267 4.671 1.00 70.13 O ATOM 936 ND2 ASN A 66 -12.533 12.746 5.400 1.00 12.44 N ATOM 0 H ASN A 66 -9.291 12.937 9.123 1.00 24.24 H new ATOM 0 HA ASN A 66 -8.755 12.209 6.331 1.00 24.43 H new ATOM 0 HB2 ASN A 66 -11.039 12.040 7.639 1.00 61.52 H new ATOM 0 HB3 ASN A 66 -11.131 13.769 7.367 1.00 61.52 H new ATOM 0 HD21 ASN A 66 -12.942 12.590 4.479 1.00 12.44 H new ATOM 0 HD22 ASN A 66 -13.127 13.018 6.183 1.00 12.44 H new ATOM 943 N VAL A 67 -8.597 15.220 7.588 1.00 42.32 N ATOM 944 CA VAL A 67 -8.171 16.588 7.322 1.00 53.04 C ATOM 945 C VAL A 67 -6.730 16.812 7.769 1.00 34.40 C ATOM 946 O VAL A 67 -6.388 17.871 8.292 1.00 61.25 O ATOM 947 CB VAL A 67 -9.080 17.608 8.033 1.00 62.42 C ATOM 948 CG1 VAL A 67 -9.431 18.754 7.097 1.00 44.12 C ATOM 949 CG2 VAL A 67 -10.339 16.928 8.552 1.00 3.54 C ATOM 0 H VAL A 67 -8.782 15.019 8.571 1.00 42.32 H new ATOM 0 HA VAL A 67 -8.243 16.737 6.245 1.00 53.04 H new ATOM 0 HB VAL A 67 -8.539 18.019 8.885 1.00 62.42 H new ATOM 0 HG11 VAL A 67 -10.074 19.465 7.617 1.00 44.12 H new ATOM 0 HG12 VAL A 67 -8.518 19.256 6.779 1.00 44.12 H new ATOM 0 HG13 VAL A 67 -9.954 18.364 6.224 1.00 44.12 H new ATOM 0 HG21 VAL A 67 -10.970 17.663 9.052 1.00 3.54 H new ATOM 0 HG22 VAL A 67 -10.885 16.488 7.718 1.00 3.54 H new ATOM 0 HG23 VAL A 67 -10.065 16.145 9.259 1.00 3.54 H new ATOM 959 N GLY A 68 -5.888 15.804 7.558 1.00 50.30 N ATOM 960 CA GLY A 68 -4.493 15.911 7.944 1.00 32.32 C ATOM 961 C GLY A 68 -3.673 16.701 6.944 1.00 62.12 C ATOM 962 O GLY A 68 -2.468 16.877 7.121 1.00 42.15 O ATOM 0 H GLY A 68 -6.147 14.916 7.127 1.00 50.30 H new ATOM 0 HA2 GLY A 68 -4.426 16.388 8.922 1.00 32.32 H new ATOM 0 HA3 GLY A 68 -4.070 14.912 8.047 1.00 32.32 H new ATOM 966 N TRP A 69 -4.327 17.178 5.891 1.00 64.21 N ATOM 967 CA TRP A 69 -3.650 17.953 4.858 1.00 10.52 C ATOM 968 C TRP A 69 -4.185 19.381 4.810 1.00 34.42 C ATOM 969 O TRP A 69 -3.448 20.318 4.506 1.00 65.54 O ATOM 970 CB TRP A 69 -3.823 17.284 3.493 1.00 45.11 C ATOM 971 CG TRP A 69 -5.101 16.509 3.369 1.00 44.33 C ATOM 972 CD1 TRP A 69 -5.311 15.213 3.741 1.00 23.22 C ATOM 973 CD2 TRP A 69 -6.342 16.983 2.836 1.00 21.01 C ATOM 974 NE1 TRP A 69 -6.610 14.851 3.470 1.00 55.32 N ATOM 975 CE2 TRP A 69 -7.263 15.920 2.915 1.00 71.24 C ATOM 976 CE3 TRP A 69 -6.766 18.203 2.300 1.00 22.21 C ATOM 977 CZ2 TRP A 69 -8.579 16.041 2.478 1.00 61.14 C ATOM 978 CZ3 TRP A 69 -8.073 18.320 1.867 1.00 40.45 C ATOM 979 CH2 TRP A 69 -8.967 17.246 1.958 1.00 22.44 C ATOM 0 H TRP A 69 -5.325 17.042 5.730 1.00 64.21 H new ATOM 0 HA TRP A 69 -2.589 17.991 5.104 1.00 10.52 H new ATOM 0 HB2 TRP A 69 -3.792 18.047 2.716 1.00 45.11 H new ATOM 0 HB3 TRP A 69 -2.982 16.614 3.315 1.00 45.11 H new ATOM 0 HD1 TRP A 69 -4.567 14.567 4.183 1.00 23.22 H new ATOM 0 HE1 TRP A 69 -7.021 13.935 3.653 1.00 55.32 H new ATOM 0 HE3 TRP A 69 -6.085 19.038 2.226 1.00 22.21 H new ATOM 0 HZ2 TRP A 69 -9.269 15.213 2.547 1.00 61.14 H new ATOM 0 HZ3 TRP A 69 -8.411 19.257 1.451 1.00 40.45 H new ATOM 0 HH2 TRP A 69 -9.982 17.371 1.611 1.00 22.44 H new ATOM 990 N ASN A 70 -5.469 19.537 5.112 1.00 63.54 N ATOM 991 CA ASN A 70 -6.102 20.851 5.104 1.00 3.14 C ATOM 992 C ASN A 70 -6.274 21.381 6.523 1.00 43.24 C ATOM 993 O ASN A 70 -6.134 22.578 6.771 1.00 53.34 O ATOM 994 CB ASN A 70 -7.461 20.780 4.405 1.00 62.44 C ATOM 995 CG ASN A 70 -7.504 21.610 3.137 1.00 30.10 C ATOM 996 OD1 ASN A 70 -8.468 22.334 2.887 1.00 21.22 O ATOM 997 ND2 ASN A 70 -6.456 21.509 2.328 1.00 52.21 N ATOM 0 H ASN A 70 -6.092 18.770 5.365 1.00 63.54 H new ATOM 0 HA ASN A 70 -5.454 21.536 4.557 1.00 3.14 H new ATOM 0 HB2 ASN A 70 -7.688 19.742 4.164 1.00 62.44 H new ATOM 0 HB3 ASN A 70 -8.236 21.126 5.089 1.00 62.44 H new ATOM 0 HD21 ASN A 70 -6.428 22.044 1.460 1.00 52.21 H new ATOM 0 HD22 ASN A 70 -5.679 20.897 2.575 1.00 52.21 H new ATOM 1004 N GLY A 71 -6.577 20.481 7.453 1.00 31.23 N ATOM 1005 CA GLY A 71 -6.763 20.877 8.837 1.00 75.23 C ATOM 1006 C GLY A 71 -7.717 22.046 8.982 1.00 72.50 C ATOM 1007 O GLY A 71 -7.424 23.013 9.685 1.00 65.25 O ATOM 0 H GLY A 71 -6.697 19.484 7.273 1.00 31.23 H new ATOM 0 HA2 GLY A 71 -7.143 20.029 9.406 1.00 75.23 H new ATOM 0 HA3 GLY A 71 -5.798 21.144 9.268 1.00 75.23 H new ATOM 1011 N THR A 72 -8.864 21.958 8.315 1.00 60.33 N ATOM 1012 CA THR A 72 -9.863 23.017 8.371 1.00 43.54 C ATOM 1013 C THR A 72 -11.217 22.474 8.816 1.00 13.50 C ATOM 1014 O THR A 72 -11.817 21.642 8.134 1.00 15.33 O ATOM 1015 CB THR A 72 -10.025 23.710 7.004 1.00 31.10 C ATOM 1016 OG1 THR A 72 -10.785 22.879 6.121 1.00 1.12 O ATOM 1017 CG2 THR A 72 -8.668 24.010 6.386 1.00 31.24 C ATOM 0 H THR A 72 -9.123 21.164 7.730 1.00 60.33 H new ATOM 0 HA THR A 72 -9.509 23.746 9.100 1.00 43.54 H new ATOM 0 HB THR A 72 -10.552 24.652 7.158 1.00 31.10 H new ATOM 0 HG1 THR A 72 -11.009 22.039 6.574 1.00 1.12 H new ATOM 0 HG21 THR A 72 -8.807 24.499 5.422 1.00 31.24 H new ATOM 0 HG22 THR A 72 -8.104 24.667 7.048 1.00 31.24 H new ATOM 0 HG23 THR A 72 -8.119 23.079 6.245 1.00 31.24 H new ATOM 1025 N LEU A 73 -11.691 22.949 9.962 1.00 4.15 N ATOM 1026 CA LEU A 73 -12.975 22.511 10.497 1.00 25.51 C ATOM 1027 C LEU A 73 -13.639 23.624 11.301 1.00 40.44 C ATOM 1028 O LEU A 73 -12.980 24.572 11.728 1.00 4.24 O ATOM 1029 CB LEU A 73 -12.788 21.273 11.376 1.00 51.01 C ATOM 1030 CG LEU A 73 -14.069 20.604 11.875 1.00 64.40 C ATOM 1031 CD1 LEU A 73 -14.975 20.247 10.706 1.00 32.40 C ATOM 1032 CD2 LEU A 73 -13.740 19.365 12.694 1.00 73.41 C ATOM 0 H LEU A 73 -11.206 23.637 10.538 1.00 4.15 H new ATOM 0 HA LEU A 73 -13.623 22.259 9.658 1.00 25.51 H new ATOM 0 HB2 LEU A 73 -12.213 20.537 10.814 1.00 51.01 H new ATOM 0 HB3 LEU A 73 -12.188 21.554 12.241 1.00 51.01 H new ATOM 0 HG LEU A 73 -14.598 21.309 12.516 1.00 64.40 H new ATOM 0 HD11 LEU A 73 -15.882 19.772 11.080 1.00 32.40 H new ATOM 0 HD12 LEU A 73 -15.239 21.153 10.160 1.00 32.40 H new ATOM 0 HD13 LEU A 73 -14.454 19.560 10.039 1.00 32.40 H new ATOM 0 HD21 LEU A 73 -14.664 18.902 13.041 1.00 73.41 H new ATOM 0 HD22 LEU A 73 -13.189 18.656 12.076 1.00 73.41 H new ATOM 0 HD23 LEU A 73 -13.131 19.648 13.553 1.00 73.41 H new ATOM 1044 N ALA A 74 -14.947 23.501 11.507 1.00 15.52 N ATOM 1045 CA ALA A 74 -15.697 24.494 12.264 1.00 64.21 C ATOM 1046 C ALA A 74 -16.064 23.968 13.647 1.00 25.43 C ATOM 1047 O ALA A 74 -16.014 22.767 13.915 1.00 11.12 O ATOM 1048 CB ALA A 74 -16.950 24.901 11.502 1.00 73.23 C ATOM 0 H ALA A 74 -15.508 22.723 11.160 1.00 15.52 H new ATOM 0 HA ALA A 74 -15.063 25.371 12.395 1.00 64.21 H new ATOM 0 HB1 ALA A 74 -17.501 25.644 12.079 1.00 73.23 H new ATOM 0 HB2 ALA A 74 -16.668 25.326 10.539 1.00 73.23 H new ATOM 0 HB3 ALA A 74 -17.579 24.025 11.342 1.00 73.23 H new ATOM 1054 N PRO A 75 -16.443 24.885 14.549 1.00 63.14 N ATOM 1055 CA PRO A 75 -16.826 24.537 15.920 1.00 62.11 C ATOM 1056 C PRO A 75 -18.154 23.789 15.979 1.00 33.23 C ATOM 1057 O PRO A 75 -18.552 23.292 17.032 1.00 74.33 O ATOM 1058 CB PRO A 75 -16.949 25.897 16.611 1.00 74.02 C ATOM 1059 CG PRO A 75 -17.249 26.856 15.511 1.00 73.41 C ATOM 1060 CD PRO A 75 -16.528 26.334 14.299 1.00 74.14 C ATOM 0 HA PRO A 75 -16.102 23.870 16.388 1.00 62.11 H new ATOM 0 HB2 PRO A 75 -17.743 25.891 17.358 1.00 74.02 H new ATOM 0 HB3 PRO A 75 -16.027 26.163 17.128 1.00 74.02 H new ATOM 0 HG2 PRO A 75 -18.322 26.919 15.330 1.00 73.41 H new ATOM 0 HG3 PRO A 75 -16.909 27.860 15.765 1.00 73.41 H new ATOM 0 HD2 PRO A 75 -17.075 26.552 13.382 1.00 74.14 H new ATOM 0 HD3 PRO A 75 -15.540 26.782 14.195 1.00 74.14 H new ATOM 1068 N GLY A 76 -18.836 23.712 14.841 1.00 11.14 N ATOM 1069 CA GLY A 76 -20.111 23.022 14.785 1.00 11.04 C ATOM 1070 C GLY A 76 -20.328 22.309 13.464 1.00 52.34 C ATOM 1071 O GLY A 76 -20.433 22.947 12.417 1.00 33.13 O ATOM 0 H GLY A 76 -18.528 24.115 13.956 1.00 11.14 H new ATOM 0 HA2 GLY A 76 -20.165 22.298 15.598 1.00 11.04 H new ATOM 0 HA3 GLY A 76 -20.916 23.740 14.943 1.00 11.04 H new ATOM 1075 N ALA A 77 -20.393 20.983 13.513 1.00 33.44 N ATOM 1076 CA ALA A 77 -20.599 20.183 12.312 1.00 72.12 C ATOM 1077 C ALA A 77 -20.606 18.694 12.639 1.00 11.13 C ATOM 1078 O ALA A 77 -20.316 18.294 13.766 1.00 51.44 O ATOM 1079 CB ALA A 77 -19.524 20.494 11.281 1.00 32.15 C ATOM 0 H ALA A 77 -20.306 20.440 14.372 1.00 33.44 H new ATOM 0 HA ALA A 77 -21.573 20.441 11.895 1.00 72.12 H new ATOM 0 HB1 ALA A 77 -19.690 19.890 10.389 1.00 32.15 H new ATOM 0 HB2 ALA A 77 -19.568 21.551 11.017 1.00 32.15 H new ATOM 0 HB3 ALA A 77 -18.543 20.265 11.698 1.00 32.15 H new ATOM 1085 N SER A 78 -20.940 17.877 11.645 1.00 20.13 N ATOM 1086 CA SER A 78 -20.990 16.431 11.829 1.00 34.34 C ATOM 1087 C SER A 78 -20.280 15.713 10.684 1.00 63.34 C ATOM 1088 O SER A 78 -20.517 16.004 9.512 1.00 43.24 O ATOM 1089 CB SER A 78 -22.441 15.956 11.922 1.00 42.30 C ATOM 1090 OG SER A 78 -23.160 16.281 10.745 1.00 11.13 O ATOM 0 H SER A 78 -21.180 18.191 10.705 1.00 20.13 H new ATOM 0 HA SER A 78 -20.477 16.191 12.760 1.00 34.34 H new ATOM 0 HB2 SER A 78 -22.465 14.878 12.080 1.00 42.30 H new ATOM 0 HB3 SER A 78 -22.923 16.416 12.785 1.00 42.30 H new ATOM 0 HG SER A 78 -22.544 16.313 9.984 1.00 11.13 H new ATOM 1096 N VAL A 79 -19.410 14.772 11.033 1.00 15.11 N ATOM 1097 CA VAL A 79 -18.666 14.011 10.037 1.00 53.32 C ATOM 1098 C VAL A 79 -18.444 12.574 10.495 1.00 30.32 C ATOM 1099 O VAL A 79 -18.040 12.330 11.632 1.00 33.02 O ATOM 1100 CB VAL A 79 -17.301 14.660 9.739 1.00 12.10 C ATOM 1101 CG1 VAL A 79 -16.526 13.832 8.724 1.00 71.22 C ATOM 1102 CG2 VAL A 79 -17.486 16.087 9.245 1.00 14.24 C ATOM 0 H VAL A 79 -19.203 14.518 11.999 1.00 15.11 H new ATOM 0 HA VAL A 79 -19.266 14.010 9.127 1.00 53.32 H new ATOM 0 HB VAL A 79 -16.724 14.692 10.663 1.00 12.10 H new ATOM 0 HG11 VAL A 79 -15.565 14.306 8.526 1.00 71.22 H new ATOM 0 HG12 VAL A 79 -16.362 12.830 9.121 1.00 71.22 H new ATOM 0 HG13 VAL A 79 -17.096 13.766 7.797 1.00 71.22 H new ATOM 0 HG21 VAL A 79 -16.512 16.530 9.039 1.00 14.24 H new ATOM 0 HG22 VAL A 79 -18.082 16.082 8.332 1.00 14.24 H new ATOM 0 HG23 VAL A 79 -17.997 16.673 10.009 1.00 14.24 H new ATOM 1112 N SER A 80 -18.710 11.626 9.603 1.00 60.40 N ATOM 1113 CA SER A 80 -18.543 10.212 9.917 1.00 62.42 C ATOM 1114 C SER A 80 -17.684 9.519 8.863 1.00 64.15 C ATOM 1115 O SER A 80 -17.837 9.760 7.666 1.00 14.53 O ATOM 1116 CB SER A 80 -19.907 9.524 10.013 1.00 11.23 C ATOM 1117 OG SER A 80 -20.526 9.441 8.740 1.00 75.40 O ATOM 0 H SER A 80 -19.042 11.811 8.657 1.00 60.40 H new ATOM 0 HA SER A 80 -18.038 10.136 10.880 1.00 62.42 H new ATOM 0 HB2 SER A 80 -19.785 8.523 10.428 1.00 11.23 H new ATOM 0 HB3 SER A 80 -20.550 10.077 10.698 1.00 11.23 H new ATOM 0 HG SER A 80 -21.395 8.996 8.827 1.00 75.40 H new ATOM 1123 N PHE A 81 -16.780 8.658 9.318 1.00 62.23 N ATOM 1124 CA PHE A 81 -15.895 7.930 8.417 1.00 11.13 C ATOM 1125 C PHE A 81 -15.917 6.435 8.722 1.00 72.11 C ATOM 1126 O PHE A 81 -15.849 6.027 9.882 1.00 4.33 O ATOM 1127 CB PHE A 81 -14.467 8.465 8.529 1.00 54.52 C ATOM 1128 CG PHE A 81 -13.753 8.014 9.772 1.00 71.14 C ATOM 1129 CD1 PHE A 81 -13.033 6.831 9.783 1.00 22.20 C ATOM 1130 CD2 PHE A 81 -13.802 8.775 10.929 1.00 61.22 C ATOM 1131 CE1 PHE A 81 -12.377 6.414 10.925 1.00 21.41 C ATOM 1132 CE2 PHE A 81 -13.148 8.364 12.074 1.00 33.33 C ATOM 1133 CZ PHE A 81 -12.433 7.182 12.072 1.00 23.54 C ATOM 0 H PHE A 81 -16.641 8.447 10.306 1.00 62.23 H new ATOM 0 HA PHE A 81 -16.252 8.079 7.398 1.00 11.13 H new ATOM 0 HB2 PHE A 81 -13.898 8.144 7.656 1.00 54.52 H new ATOM 0 HB3 PHE A 81 -14.493 9.555 8.510 1.00 54.52 H new ATOM 0 HD1 PHE A 81 -12.984 6.228 8.889 1.00 22.20 H new ATOM 0 HD2 PHE A 81 -14.358 9.701 10.936 1.00 61.22 H new ATOM 0 HE1 PHE A 81 -11.821 5.488 10.921 1.00 21.41 H new ATOM 0 HE2 PHE A 81 -13.196 8.966 12.970 1.00 33.33 H new ATOM 0 HZ PHE A 81 -11.919 6.859 12.965 1.00 23.54 H new ATOM 1143 N GLY A 82 -16.010 5.623 7.674 1.00 45.32 N ATOM 1144 CA GLY A 82 -16.039 4.183 7.850 1.00 45.00 C ATOM 1145 C GLY A 82 -14.737 3.523 7.443 1.00 41.23 C ATOM 1146 O GLY A 82 -13.807 4.194 6.994 1.00 34.35 O ATOM 0 H GLY A 82 -16.066 5.937 6.705 1.00 45.32 H new ATOM 0 HA2 GLY A 82 -16.249 3.952 8.894 1.00 45.00 H new ATOM 0 HA3 GLY A 82 -16.855 3.764 7.261 1.00 45.00 H new ATOM 1150 N PHE A 83 -14.669 2.205 7.601 1.00 51.34 N ATOM 1151 CA PHE A 83 -13.470 1.455 7.248 1.00 32.04 C ATOM 1152 C PHE A 83 -13.703 -0.046 7.401 1.00 31.03 C ATOM 1153 O PHE A 83 -14.748 -0.476 7.887 1.00 42.33 O ATOM 1154 CB PHE A 83 -12.294 1.890 8.125 1.00 12.12 C ATOM 1155 CG PHE A 83 -12.317 1.290 9.502 1.00 2.52 C ATOM 1156 CD1 PHE A 83 -12.988 1.922 10.535 1.00 35.54 C ATOM 1157 CD2 PHE A 83 -11.666 0.094 9.761 1.00 4.14 C ATOM 1158 CE1 PHE A 83 -13.012 1.372 11.803 1.00 75.21 C ATOM 1159 CE2 PHE A 83 -11.687 -0.461 11.026 1.00 63.53 C ATOM 1160 CZ PHE A 83 -12.359 0.180 12.049 1.00 72.41 C ATOM 0 H PHE A 83 -15.430 1.635 7.971 1.00 51.34 H new ATOM 0 HA PHE A 83 -13.235 1.665 6.205 1.00 32.04 H new ATOM 0 HB2 PHE A 83 -11.362 1.613 7.632 1.00 12.12 H new ATOM 0 HB3 PHE A 83 -12.298 2.977 8.211 1.00 12.12 H new ATOM 0 HD1 PHE A 83 -13.498 2.855 10.348 1.00 35.54 H new ATOM 0 HD2 PHE A 83 -11.137 -0.409 8.965 1.00 4.14 H new ATOM 0 HE1 PHE A 83 -13.541 1.874 12.600 1.00 75.21 H new ATOM 0 HE2 PHE A 83 -11.179 -1.395 11.215 1.00 63.53 H new ATOM 0 HZ PHE A 83 -12.374 -0.250 13.039 1.00 72.41 H new ATOM 1170 N ASN A 84 -12.722 -0.837 6.980 1.00 53.12 N ATOM 1171 CA ASN A 84 -12.820 -2.290 7.068 1.00 11.54 C ATOM 1172 C ASN A 84 -11.633 -2.870 7.829 1.00 14.20 C ATOM 1173 O ASN A 84 -10.484 -2.502 7.583 1.00 21.21 O ATOM 1174 CB ASN A 84 -12.892 -2.902 5.668 1.00 23.04 C ATOM 1175 CG ASN A 84 -14.173 -2.538 4.942 1.00 25.12 C ATOM 1176 OD1 ASN A 84 -14.148 -2.137 3.779 1.00 44.55 O ATOM 1177 ND2 ASN A 84 -15.301 -2.678 5.628 1.00 70.52 N ATOM 0 H ASN A 84 -11.850 -0.497 6.575 1.00 53.12 H new ATOM 0 HA ASN A 84 -13.732 -2.536 7.612 1.00 11.54 H new ATOM 0 HB2 ASN A 84 -12.037 -2.564 5.082 1.00 23.04 H new ATOM 0 HB3 ASN A 84 -12.817 -3.987 5.744 1.00 23.04 H new ATOM 0 HD21 ASN A 84 -16.195 -2.450 5.192 1.00 70.52 H new ATOM 0 HD22 ASN A 84 -15.274 -3.014 6.591 1.00 70.52 H new ATOM 1184 N GLY A 85 -11.917 -3.782 8.755 1.00 43.24 N ATOM 1185 CA GLY A 85 -10.862 -4.399 9.537 1.00 44.11 C ATOM 1186 C GLY A 85 -11.100 -5.878 9.765 1.00 51.23 C ATOM 1187 O GLY A 85 -12.241 -6.338 9.763 1.00 63.42 O ATOM 0 H GLY A 85 -12.859 -4.104 8.977 1.00 43.24 H new ATOM 0 HA2 GLY A 85 -9.908 -4.262 9.027 1.00 44.11 H new ATOM 0 HA3 GLY A 85 -10.784 -3.894 10.500 1.00 44.11 H new ATOM 1191 N SER A 86 -10.019 -6.626 9.962 1.00 71.01 N ATOM 1192 CA SER A 86 -10.114 -8.064 10.187 1.00 3.10 C ATOM 1193 C SER A 86 -9.925 -8.396 11.664 1.00 41.21 C ATOM 1194 O SER A 86 -8.869 -8.137 12.239 1.00 65.13 O ATOM 1195 CB SER A 86 -9.071 -8.803 9.348 1.00 54.42 C ATOM 1196 OG SER A 86 -8.693 -8.040 8.214 1.00 63.32 O ATOM 0 H SER A 86 -9.067 -6.260 9.970 1.00 71.01 H new ATOM 0 HA SER A 86 -11.109 -8.390 9.884 1.00 3.10 H new ATOM 0 HB2 SER A 86 -8.192 -9.013 9.958 1.00 54.42 H new ATOM 0 HB3 SER A 86 -9.473 -9.764 9.026 1.00 54.42 H new ATOM 0 HG SER A 86 -8.024 -8.534 7.695 1.00 63.32 H new ATOM 1202 N GLY A 87 -10.957 -8.973 12.272 1.00 4.53 N ATOM 1203 CA GLY A 87 -10.886 -9.331 13.676 1.00 32.43 C ATOM 1204 C GLY A 87 -12.249 -9.355 14.338 1.00 71.42 C ATOM 1205 O GLY A 87 -13.283 -9.450 13.677 1.00 22.21 O ATOM 0 H GLY A 87 -11.841 -9.199 11.817 1.00 4.53 H new ATOM 0 HA2 GLY A 87 -10.420 -10.312 13.775 1.00 32.43 H new ATOM 0 HA3 GLY A 87 -10.245 -8.620 14.197 1.00 32.43 H new ATOM 1209 N PRO A 88 -12.262 -9.269 15.677 1.00 42.04 N ATOM 1210 CA PRO A 88 -13.502 -9.280 16.459 1.00 33.52 C ATOM 1211 C PRO A 88 -14.317 -8.005 16.271 1.00 32.55 C ATOM 1212 O PRO A 88 -15.547 -8.038 16.270 1.00 43.32 O ATOM 1213 CB PRO A 88 -13.008 -9.391 17.904 1.00 25.54 C ATOM 1214 CG PRO A 88 -11.635 -8.816 17.881 1.00 70.24 C ATOM 1215 CD PRO A 88 -11.067 -9.154 16.531 1.00 50.40 C ATOM 0 HA PRO A 88 -14.167 -10.089 16.158 1.00 33.52 H new ATOM 0 HB2 PRO A 88 -13.656 -8.841 18.587 1.00 25.54 H new ATOM 0 HB3 PRO A 88 -12.997 -10.428 18.240 1.00 25.54 H new ATOM 0 HG2 PRO A 88 -11.661 -7.737 18.034 1.00 70.24 H new ATOM 0 HG3 PRO A 88 -11.022 -9.237 18.678 1.00 70.24 H new ATOM 0 HD2 PRO A 88 -10.391 -8.377 16.174 1.00 50.40 H new ATOM 0 HD3 PRO A 88 -10.499 -10.084 16.555 1.00 50.40 H new ATOM 1223 N GLY A 89 -13.623 -6.883 16.112 1.00 63.14 N ATOM 1224 CA GLY A 89 -14.299 -5.612 15.925 1.00 65.22 C ATOM 1225 C GLY A 89 -14.638 -4.937 17.240 1.00 4.15 C ATOM 1226 O GLY A 89 -15.595 -4.166 17.321 1.00 72.11 O ATOM 0 H GLY A 89 -12.604 -6.831 16.109 1.00 63.14 H new ATOM 0 HA2 GLY A 89 -13.666 -4.951 15.333 1.00 65.22 H new ATOM 0 HA3 GLY A 89 -15.214 -5.771 15.355 1.00 65.22 H new ATOM 1230 N SER A 90 -13.854 -5.228 18.272 1.00 52.43 N ATOM 1231 CA SER A 90 -14.078 -4.647 19.591 1.00 41.10 C ATOM 1232 C SER A 90 -12.947 -3.694 19.965 1.00 10.22 C ATOM 1233 O SER A 90 -12.080 -4.008 20.780 1.00 30.25 O ATOM 1234 CB SER A 90 -14.200 -5.751 20.643 1.00 60.41 C ATOM 1235 OG SER A 90 -15.041 -6.797 20.191 1.00 5.13 O ATOM 0 H SER A 90 -13.057 -5.863 18.221 1.00 52.43 H new ATOM 0 HA SER A 90 -15.009 -4.081 19.558 1.00 41.10 H new ATOM 0 HB2 SER A 90 -13.212 -6.149 20.873 1.00 60.41 H new ATOM 0 HB3 SER A 90 -14.599 -5.334 21.568 1.00 60.41 H new ATOM 0 HG SER A 90 -15.101 -7.490 20.881 1.00 5.13 H new ATOM 1241 N PRO A 91 -12.956 -2.499 19.355 1.00 22.11 N ATOM 1242 CA PRO A 91 -11.938 -1.474 19.608 1.00 3.13 C ATOM 1243 C PRO A 91 -12.056 -0.873 21.004 1.00 55.32 C ATOM 1244 O PRO A 91 -13.105 -0.960 21.642 1.00 42.32 O ATOM 1245 CB PRO A 91 -12.230 -0.415 18.542 1.00 51.02 C ATOM 1246 CG PRO A 91 -13.675 -0.587 18.222 1.00 35.51 C ATOM 1247 CD PRO A 91 -13.960 -2.056 18.373 1.00 33.32 C ATOM 0 HA PRO A 91 -10.928 -1.880 19.559 1.00 3.13 H new ATOM 0 HB2 PRO A 91 -12.024 0.589 18.914 1.00 51.02 H new ATOM 0 HB3 PRO A 91 -11.609 -0.561 17.658 1.00 51.02 H new ATOM 0 HG2 PRO A 91 -14.297 0.003 18.896 1.00 35.51 H new ATOM 0 HG3 PRO A 91 -13.893 -0.249 17.209 1.00 35.51 H new ATOM 0 HD2 PRO A 91 -14.975 -2.234 18.728 1.00 33.32 H new ATOM 0 HD3 PRO A 91 -13.856 -2.585 17.426 1.00 33.32 H new ATOM 1255 N SER A 92 -10.973 -0.262 21.473 1.00 73.30 N ATOM 1256 CA SER A 92 -10.954 0.352 22.796 1.00 34.11 C ATOM 1257 C SER A 92 -10.026 1.563 22.819 1.00 42.15 C ATOM 1258 O SER A 92 -9.353 1.863 21.834 1.00 23.42 O ATOM 1259 CB SER A 92 -10.507 -0.666 23.847 1.00 35.33 C ATOM 1260 OG SER A 92 -11.579 -1.515 24.223 1.00 51.41 O ATOM 0 H SER A 92 -10.097 -0.179 20.957 1.00 73.30 H new ATOM 0 HA SER A 92 -11.965 0.685 23.030 1.00 34.11 H new ATOM 0 HB2 SER A 92 -9.686 -1.265 23.452 1.00 35.33 H new ATOM 0 HB3 SER A 92 -10.127 -0.144 24.725 1.00 35.33 H new ATOM 0 HG SER A 92 -12.300 -1.443 23.564 1.00 51.41 H new ATOM 1266 N ASN A 93 -9.998 2.257 23.953 1.00 3.44 N ATOM 1267 CA ASN A 93 -9.156 3.437 24.106 1.00 54.31 C ATOM 1268 C ASN A 93 -9.506 4.495 23.063 1.00 55.13 C ATOM 1269 O ASN A 93 -8.636 4.974 22.334 1.00 42.34 O ATOM 1270 CB ASN A 93 -7.678 3.054 23.983 1.00 63.51 C ATOM 1271 CG ASN A 93 -7.114 2.508 25.280 1.00 72.24 C ATOM 1272 OD1 ASN A 93 -7.844 1.958 26.106 1.00 31.33 O ATOM 1273 ND2 ASN A 93 -5.808 2.658 25.467 1.00 43.10 N ATOM 0 H ASN A 93 -10.549 2.022 24.779 1.00 3.44 H new ATOM 0 HA ASN A 93 -9.336 3.855 25.096 1.00 54.31 H new ATOM 0 HB2 ASN A 93 -7.563 2.308 23.197 1.00 63.51 H new ATOM 0 HB3 ASN A 93 -7.103 3.928 23.679 1.00 63.51 H new ATOM 0 HD21 ASN A 93 -5.372 2.311 26.321 1.00 43.10 H new ATOM 0 HD22 ASN A 93 -5.241 3.120 24.756 1.00 43.10 H new ATOM 1280 N CYS A 94 -10.782 4.854 23.000 1.00 45.34 N ATOM 1281 CA CYS A 94 -11.248 5.855 22.046 1.00 61.53 C ATOM 1282 C CYS A 94 -10.811 7.254 22.470 1.00 0.11 C ATOM 1283 O CYS A 94 -11.405 7.860 23.361 1.00 30.44 O ATOM 1284 CB CYS A 94 -12.772 5.801 21.921 1.00 41.00 C ATOM 1285 SG CYS A 94 -13.436 4.131 21.724 1.00 2.52 S ATOM 0 H CYS A 94 -11.513 4.468 23.597 1.00 45.34 H new ATOM 0 HA CYS A 94 -10.803 5.632 21.076 1.00 61.53 H new ATOM 0 HB2 CYS A 94 -13.215 6.255 22.808 1.00 41.00 H new ATOM 0 HB3 CYS A 94 -13.078 6.405 21.067 1.00 41.00 H new ATOM 0 HG CYS A 94 -13.997 4.022 20.556 1.00 2.52 H new ATOM 1291 N LYS A 95 -9.765 7.761 21.825 1.00 60.22 N ATOM 1292 CA LYS A 95 -9.246 9.089 22.133 1.00 32.12 C ATOM 1293 C LYS A 95 -9.073 9.914 20.863 1.00 12.35 C ATOM 1294 O LYS A 95 -8.314 9.542 19.967 1.00 14.23 O ATOM 1295 CB LYS A 95 -7.908 8.977 22.868 1.00 22.42 C ATOM 1296 CG LYS A 95 -6.934 8.013 22.214 1.00 52.25 C ATOM 1297 CD LYS A 95 -6.593 6.854 23.136 1.00 54.31 C ATOM 1298 CE LYS A 95 -5.509 7.236 24.133 1.00 14.12 C ATOM 1299 NZ LYS A 95 -5.948 7.021 25.539 1.00 33.41 N ATOM 0 H LYS A 95 -9.260 7.272 21.086 1.00 60.22 H new ATOM 0 HA LYS A 95 -9.967 9.594 22.777 1.00 32.12 H new ATOM 0 HB2 LYS A 95 -7.449 9.964 22.921 1.00 22.42 H new ATOM 0 HB3 LYS A 95 -8.092 8.655 23.893 1.00 22.42 H new ATOM 0 HG2 LYS A 95 -7.366 7.629 21.290 1.00 52.25 H new ATOM 0 HG3 LYS A 95 -6.022 8.544 21.943 1.00 52.25 H new ATOM 0 HD2 LYS A 95 -7.488 6.539 23.673 1.00 54.31 H new ATOM 0 HD3 LYS A 95 -6.260 6.002 22.543 1.00 54.31 H new ATOM 0 HE2 LYS A 95 -4.613 6.647 23.938 1.00 14.12 H new ATOM 0 HE3 LYS A 95 -5.239 8.283 23.993 1.00 14.12 H new ATOM 0 HZ1 LYS A 95 -5.182 7.293 26.187 1.00 33.41 H new ATOM 0 HZ2 LYS A 95 -6.788 7.602 25.733 1.00 33.41 H new ATOM 0 HZ3 LYS A 95 -6.181 6.017 25.680 1.00 33.41 H new ATOM 1313 N LEU A 96 -9.780 11.036 20.790 1.00 71.54 N ATOM 1314 CA LEU A 96 -9.703 11.916 19.629 1.00 12.22 C ATOM 1315 C LEU A 96 -9.407 13.351 20.052 1.00 24.13 C ATOM 1316 O LEU A 96 -9.695 13.748 21.180 1.00 50.20 O ATOM 1317 CB LEU A 96 -11.012 11.864 18.839 1.00 51.50 C ATOM 1318 CG LEU A 96 -12.200 12.599 19.460 1.00 24.24 C ATOM 1319 CD1 LEU A 96 -12.528 13.854 18.666 1.00 34.25 C ATOM 1320 CD2 LEU A 96 -13.413 11.682 19.535 1.00 43.21 C ATOM 0 H LEU A 96 -10.414 11.358 21.522 1.00 71.54 H new ATOM 0 HA LEU A 96 -8.888 11.569 18.994 1.00 12.22 H new ATOM 0 HB2 LEU A 96 -10.831 12.279 17.848 1.00 51.50 H new ATOM 0 HB3 LEU A 96 -11.289 10.819 18.701 1.00 51.50 H new ATOM 0 HG LEU A 96 -11.929 12.896 20.473 1.00 24.24 H new ATOM 0 HD11 LEU A 96 -13.376 14.363 19.124 1.00 34.25 H new ATOM 0 HD12 LEU A 96 -11.664 14.519 18.663 1.00 34.25 H new ATOM 0 HD13 LEU A 96 -12.779 13.581 17.641 1.00 34.25 H new ATOM 0 HD21 LEU A 96 -14.250 12.221 19.980 1.00 43.21 H new ATOM 0 HD22 LEU A 96 -13.684 11.355 18.531 1.00 43.21 H new ATOM 0 HD23 LEU A 96 -13.175 10.813 20.148 1.00 43.21 H new ATOM 1332 N ASN A 97 -8.832 14.125 19.138 1.00 10.44 N ATOM 1333 CA ASN A 97 -8.498 15.518 19.415 1.00 72.32 C ATOM 1334 C ASN A 97 -7.453 15.616 20.522 1.00 51.02 C ATOM 1335 O ASN A 97 -7.376 16.619 21.230 1.00 50.23 O ATOM 1336 CB ASN A 97 -9.754 16.295 19.813 1.00 32.21 C ATOM 1337 CG ASN A 97 -9.529 17.795 19.817 1.00 22.01 C ATOM 1338 OD1 ASN A 97 -8.454 18.273 19.457 1.00 74.01 O ATOM 1339 ND2 ASN A 97 -10.547 18.544 20.225 1.00 52.22 N ATOM 0 H ASN A 97 -8.587 13.812 18.199 1.00 10.44 H new ATOM 0 HA ASN A 97 -8.082 15.954 18.507 1.00 72.32 H new ATOM 0 HB2 ASN A 97 -10.562 16.053 19.122 1.00 32.21 H new ATOM 0 HB3 ASN A 97 -10.076 15.976 20.804 1.00 32.21 H new ATOM 0 HD21 ASN A 97 -10.456 19.560 20.249 1.00 52.22 H new ATOM 0 HD22 ASN A 97 -11.420 18.104 20.515 1.00 52.22 H new ATOM 1346 N GLY A 98 -6.648 14.567 20.665 1.00 25.22 N ATOM 1347 CA GLY A 98 -5.619 14.555 21.687 1.00 54.30 C ATOM 1348 C GLY A 98 -6.143 14.099 23.033 1.00 64.24 C ATOM 1349 O GLY A 98 -5.804 14.675 24.066 1.00 73.23 O ATOM 0 H GLY A 98 -6.691 13.725 20.091 1.00 25.22 H new ATOM 0 HA2 GLY A 98 -4.809 13.897 21.374 1.00 54.30 H new ATOM 0 HA3 GLY A 98 -5.197 15.555 21.785 1.00 54.30 H new ATOM 1353 N GLY A 99 -6.975 13.062 23.023 1.00 43.44 N ATOM 1354 CA GLY A 99 -7.536 12.549 24.259 1.00 73.41 C ATOM 1355 C GLY A 99 -8.889 13.153 24.578 1.00 5.43 C ATOM 1356 O GLY A 99 -9.007 13.993 25.470 1.00 31.21 O ATOM 0 H GLY A 99 -7.270 12.568 22.181 1.00 43.44 H new ATOM 0 HA2 GLY A 99 -7.633 11.466 24.188 1.00 73.41 H new ATOM 0 HA3 GLY A 99 -6.848 12.754 25.079 1.00 73.41 H new ATOM 1360 N SER A 100 -9.913 12.727 23.845 1.00 44.12 N ATOM 1361 CA SER A 100 -11.264 13.237 24.051 1.00 2.41 C ATOM 1362 C SER A 100 -12.303 12.237 23.552 1.00 53.42 C ATOM 1363 O SER A 100 -12.217 11.743 22.427 1.00 55.44 O ATOM 1364 CB SER A 100 -11.442 14.575 23.331 1.00 44.43 C ATOM 1365 OG SER A 100 -12.280 15.444 24.072 1.00 64.21 O ATOM 0 H SER A 100 -9.833 12.031 23.104 1.00 44.12 H new ATOM 0 HA SER A 100 -11.411 13.386 25.121 1.00 2.41 H new ATOM 0 HB2 SER A 100 -10.469 15.043 23.181 1.00 44.43 H new ATOM 0 HB3 SER A 100 -11.870 14.406 22.343 1.00 44.43 H new ATOM 0 HG SER A 100 -12.377 16.293 23.592 1.00 64.21 H new ATOM 1371 N CYS A 101 -13.284 11.942 24.397 1.00 72.22 N ATOM 1372 CA CYS A 101 -14.340 11.000 24.044 1.00 71.42 C ATOM 1373 C CYS A 101 -15.342 10.855 25.185 1.00 74.13 C ATOM 1374 O CYS A 101 -15.047 11.194 26.331 1.00 52.32 O ATOM 1375 CB CYS A 101 -13.741 9.636 23.699 1.00 40.43 C ATOM 1376 SG CYS A 101 -14.507 8.835 22.270 1.00 50.41 S ATOM 0 H CYS A 101 -13.370 12.341 25.332 1.00 72.22 H new ATOM 0 HA CYS A 101 -14.864 11.390 23.171 1.00 71.42 H new ATOM 0 HB2 CYS A 101 -12.675 9.757 23.506 1.00 40.43 H new ATOM 0 HB3 CYS A 101 -13.836 8.980 24.564 1.00 40.43 H new ATOM 0 HG CYS A 101 -15.755 9.189 22.192 1.00 50.41 H new