USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=33 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 61 HIS : no HD1:sc= -1.64 K(o=-1.7,f=-4.8) USER MOD Set 1.2: A 63 THR OG1 : rot -130:sc= -0.267 USER MOD Set 1.3: A 95 LYS NZ :NH3+ 145:sc= 0.167 (180deg=0) USER MOD Set 2.1: A 48 THR OG1 : rot 161:sc= 0.465 USER MOD Set 2.2: A 86 SER OG : rot 70:sc= 0.428 USER MOD Single : A 5 THR OG1 : rot -29:sc= 0.11 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 10 LYS NZ :NH3+ 149:sc= -0.449 (180deg=-1.44!) USER MOD Single : A 11 THR OG1 : rot 80:sc= -0.0537 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -24:sc= 0.168 USER MOD Single : A 21 SER OG : rot 180:sc= -0.761 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= -1.05 X(o=-1.1,f=-0.57) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0276 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.389 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 131:sc= -0.368 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.8 K(o=-2.8,f=-0.67) USER MOD Single : A 70 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.043) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.74 K(o=-1.7,f=-0.65) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0761 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 CYS SG : rot 115:sc= 0.829 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot -157:sc= 0.879 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -17.280 14.760 20.612 1.00 2.00 N ATOM 47 CA THR A 5 -17.622 13.427 21.093 1.00 51.33 C ATOM 48 C THR A 5 -17.693 12.429 19.943 1.00 40.52 C ATOM 49 O THR A 5 -18.029 12.790 18.816 1.00 25.22 O ATOM 50 CB THR A 5 -18.969 13.428 21.841 1.00 53.23 C ATOM 51 OG1 THR A 5 -19.993 13.977 21.004 1.00 35.34 O ATOM 52 CG2 THR A 5 -18.872 14.234 23.127 1.00 65.13 C ATOM 0 HA THR A 5 -16.832 13.127 21.782 1.00 51.33 H new ATOM 0 HB THR A 5 -19.221 12.398 22.094 1.00 53.23 H new ATOM 0 HG1 THR A 5 -19.596 14.621 20.381 1.00 35.34 H new ATOM 0 HG21 THR A 5 -19.835 14.221 23.638 1.00 65.13 H new ATOM 0 HG22 THR A 5 -18.111 13.797 23.774 1.00 65.13 H new ATOM 0 HG23 THR A 5 -18.600 15.263 22.892 1.00 65.13 H new ATOM 60 N ALA A 6 -17.374 11.172 20.236 1.00 3.31 N ATOM 61 CA ALA A 6 -17.405 10.122 19.227 1.00 31.05 C ATOM 62 C ALA A 6 -17.814 8.785 19.837 1.00 52.43 C ATOM 63 O ALA A 6 -17.782 8.612 21.056 1.00 54.41 O ATOM 64 CB ALA A 6 -16.048 10.001 18.549 1.00 2.02 C ATOM 0 H ALA A 6 -17.091 10.857 21.164 1.00 3.31 H new ATOM 0 HA ALA A 6 -18.150 10.394 18.479 1.00 31.05 H new ATOM 0 HB1 ALA A 6 -16.086 9.213 17.797 1.00 2.02 H new ATOM 0 HB2 ALA A 6 -15.795 10.947 18.070 1.00 2.02 H new ATOM 0 HB3 ALA A 6 -15.290 9.757 19.293 1.00 2.02 H new ATOM 70 N THR A 7 -18.198 7.842 18.983 1.00 62.31 N ATOM 71 CA THR A 7 -18.616 6.522 19.438 1.00 73.14 C ATOM 72 C THR A 7 -18.382 5.470 18.362 1.00 10.23 C ATOM 73 O THR A 7 -18.477 5.757 17.168 1.00 22.14 O ATOM 74 CB THR A 7 -20.103 6.510 19.838 1.00 20.32 C ATOM 75 OG1 THR A 7 -20.360 7.534 20.806 1.00 54.30 O ATOM 76 CG2 THR A 7 -20.499 5.157 20.408 1.00 30.31 C ATOM 0 H THR A 7 -18.228 7.968 17.971 1.00 62.31 H new ATOM 0 HA THR A 7 -18.011 6.283 20.313 1.00 73.14 H new ATOM 0 HB THR A 7 -20.697 6.699 18.944 1.00 20.32 H new ATOM 0 HG1 THR A 7 -21.308 7.520 21.053 1.00 54.30 H new ATOM 0 HG21 THR A 7 -21.554 5.173 20.683 1.00 30.31 H new ATOM 0 HG22 THR A 7 -20.331 4.383 19.659 1.00 30.31 H new ATOM 0 HG23 THR A 7 -19.897 4.944 21.291 1.00 30.31 H new ATOM 84 N PHE A 8 -18.077 4.249 18.790 1.00 10.32 N ATOM 85 CA PHE A 8 -17.830 3.153 17.860 1.00 75.10 C ATOM 86 C PHE A 8 -19.142 2.556 17.362 1.00 12.20 C ATOM 87 O PHE A 8 -20.120 2.472 18.103 1.00 41.24 O ATOM 88 CB PHE A 8 -16.986 2.067 18.532 1.00 55.24 C ATOM 89 CG PHE A 8 -16.824 0.831 17.696 1.00 15.10 C ATOM 90 CD1 PHE A 8 -16.222 0.895 16.450 1.00 53.35 C ATOM 91 CD2 PHE A 8 -17.274 -0.396 18.156 1.00 35.22 C ATOM 92 CE1 PHE A 8 -16.070 -0.241 15.678 1.00 35.32 C ATOM 93 CE2 PHE A 8 -17.125 -1.537 17.388 1.00 63.13 C ATOM 94 CZ PHE A 8 -16.524 -1.459 16.147 1.00 53.42 C ATOM 0 H PHE A 8 -17.995 3.994 19.774 1.00 10.32 H new ATOM 0 HA PHE A 8 -17.285 3.551 17.005 1.00 75.10 H new ATOM 0 HB2 PHE A 8 -16.001 2.473 18.760 1.00 55.24 H new ATOM 0 HB3 PHE A 8 -17.447 1.796 19.482 1.00 55.24 H new ATOM 0 HD1 PHE A 8 -15.867 1.844 16.077 1.00 53.35 H new ATOM 0 HD2 PHE A 8 -17.746 -0.462 19.125 1.00 35.22 H new ATOM 0 HE1 PHE A 8 -15.597 -0.177 14.709 1.00 35.32 H new ATOM 0 HE2 PHE A 8 -17.478 -2.488 17.759 1.00 63.13 H new ATOM 0 HZ PHE A 8 -16.409 -2.348 15.544 1.00 53.42 H new ATOM 104 N ALA A 9 -19.155 2.143 16.099 1.00 11.32 N ATOM 105 CA ALA A 9 -20.346 1.553 15.499 1.00 73.13 C ATOM 106 C ALA A 9 -19.978 0.426 14.541 1.00 15.11 C ATOM 107 O ALA A 9 -18.819 0.288 14.144 1.00 24.43 O ATOM 108 CB ALA A 9 -21.157 2.619 14.777 1.00 31.32 C ATOM 0 H ALA A 9 -18.354 2.206 15.471 1.00 11.32 H new ATOM 0 HA ALA A 9 -20.954 1.130 16.299 1.00 73.13 H new ATOM 0 HB1 ALA A 9 -22.043 2.164 14.334 1.00 31.32 H new ATOM 0 HB2 ALA A 9 -21.460 3.388 15.487 1.00 31.32 H new ATOM 0 HB3 ALA A 9 -20.549 3.069 13.992 1.00 31.32 H new ATOM 114 N LYS A 10 -20.968 -0.379 14.173 1.00 1.43 N ATOM 115 CA LYS A 10 -20.749 -1.494 13.259 1.00 33.53 C ATOM 116 C LYS A 10 -21.426 -1.239 11.917 1.00 23.34 C ATOM 117 O LYS A 10 -22.569 -0.783 11.862 1.00 22.44 O ATOM 118 CB LYS A 10 -21.279 -2.792 13.872 1.00 12.15 C ATOM 119 CG LYS A 10 -20.329 -3.968 13.722 1.00 32.21 C ATOM 120 CD LYS A 10 -20.524 -4.676 12.392 1.00 33.43 C ATOM 121 CE LYS A 10 -19.244 -5.357 11.930 1.00 40.13 C ATOM 122 NZ LYS A 10 -18.818 -6.433 12.866 1.00 30.52 N ATOM 0 H LYS A 10 -21.931 -0.280 14.494 1.00 1.43 H new ATOM 0 HA LYS A 10 -19.676 -1.589 13.091 1.00 33.53 H new ATOM 0 HB2 LYS A 10 -21.478 -2.629 14.931 1.00 12.15 H new ATOM 0 HB3 LYS A 10 -22.231 -3.043 13.404 1.00 12.15 H new ATOM 0 HG2 LYS A 10 -19.300 -3.618 13.801 1.00 32.21 H new ATOM 0 HG3 LYS A 10 -20.490 -4.673 14.538 1.00 32.21 H new ATOM 0 HD2 LYS A 10 -21.318 -5.417 12.486 1.00 33.43 H new ATOM 0 HD3 LYS A 10 -20.847 -3.957 11.639 1.00 33.43 H new ATOM 0 HE2 LYS A 10 -19.396 -5.779 10.937 1.00 40.13 H new ATOM 0 HE3 LYS A 10 -18.449 -4.616 11.843 1.00 40.13 H new ATOM 0 HZ1 LYS A 10 -18.326 -7.180 12.335 1.00 30.52 H new ATOM 0 HZ2 LYS A 10 -18.176 -6.036 13.582 1.00 30.52 H new ATOM 0 HZ3 LYS A 10 -19.654 -6.835 13.336 1.00 30.52 H new ATOM 136 N THR A 11 -20.716 -1.538 10.834 1.00 14.44 N ATOM 137 CA THR A 11 -21.248 -1.342 9.491 1.00 74.42 C ATOM 138 C THR A 11 -21.732 -2.659 8.894 1.00 61.21 C ATOM 139 O THR A 11 -22.931 -2.858 8.697 1.00 33.55 O ATOM 140 CB THR A 11 -20.194 -0.723 8.553 1.00 60.42 C ATOM 141 OG1 THR A 11 -19.493 0.326 9.230 1.00 74.32 O ATOM 142 CG2 THR A 11 -20.847 -0.173 7.295 1.00 14.15 C ATOM 0 H THR A 11 -19.770 -1.917 10.861 1.00 14.44 H new ATOM 0 HA THR A 11 -22.090 -0.656 9.582 1.00 74.42 H new ATOM 0 HB THR A 11 -19.490 -1.504 8.266 1.00 60.42 H new ATOM 0 HG1 THR A 11 -18.807 -0.062 9.812 1.00 74.32 H new ATOM 0 HG21 THR A 11 -20.084 0.259 6.648 1.00 14.15 H new ATOM 0 HG22 THR A 11 -21.356 -0.979 6.767 1.00 14.15 H new ATOM 0 HG23 THR A 11 -21.570 0.596 7.567 1.00 14.15 H new ATOM 150 N SER A 12 -20.793 -3.554 8.608 1.00 12.20 N ATOM 151 CA SER A 12 -21.124 -4.851 8.031 1.00 1.24 C ATOM 152 C SER A 12 -19.897 -5.757 7.988 1.00 50.53 C ATOM 153 O SER A 12 -18.795 -5.312 7.666 1.00 31.11 O ATOM 154 CB SER A 12 -21.691 -4.676 6.620 1.00 44.21 C ATOM 155 OG SER A 12 -22.898 -5.400 6.462 1.00 25.53 O ATOM 0 H SER A 12 -19.796 -3.405 8.766 1.00 12.20 H new ATOM 0 HA SER A 12 -21.878 -5.319 8.663 1.00 1.24 H new ATOM 0 HB2 SER A 12 -21.869 -3.619 6.425 1.00 44.21 H new ATOM 0 HB3 SER A 12 -20.960 -5.017 5.886 1.00 44.21 H new ATOM 0 HG SER A 12 -23.241 -5.270 5.553 1.00 25.53 H new ATOM 161 N ASP A 13 -20.096 -7.029 8.314 1.00 42.34 N ATOM 162 CA ASP A 13 -19.007 -7.999 8.312 1.00 62.43 C ATOM 163 C ASP A 13 -19.272 -9.113 7.305 1.00 43.10 C ATOM 164 O ASP A 13 -20.324 -9.751 7.334 1.00 21.34 O ATOM 165 CB ASP A 13 -18.822 -8.591 9.710 1.00 74.20 C ATOM 166 CG ASP A 13 -20.063 -9.308 10.204 1.00 51.11 C ATOM 167 OD1 ASP A 13 -21.042 -8.620 10.562 1.00 41.32 O ATOM 168 OD2 ASP A 13 -20.056 -10.556 10.236 1.00 11.44 O ATOM 0 H ASP A 13 -21.002 -7.413 8.583 1.00 42.34 H new ATOM 0 HA ASP A 13 -18.093 -7.482 8.020 1.00 62.43 H new ATOM 0 HB2 ASP A 13 -17.984 -9.288 9.698 1.00 74.20 H new ATOM 0 HB3 ASP A 13 -18.564 -7.794 10.408 1.00 74.20 H new ATOM 173 N TRP A 14 -18.313 -9.339 6.414 1.00 71.55 N ATOM 174 CA TRP A 14 -18.444 -10.376 5.397 1.00 61.21 C ATOM 175 C TRP A 14 -17.458 -11.511 5.646 1.00 75.23 C ATOM 176 O TRP A 14 -16.260 -11.369 5.408 1.00 55.55 O ATOM 177 CB TRP A 14 -18.219 -9.784 4.005 1.00 50.43 C ATOM 178 CG TRP A 14 -16.974 -8.955 3.907 1.00 13.24 C ATOM 179 CD1 TRP A 14 -15.773 -9.339 3.381 1.00 73.01 C ATOM 180 CD2 TRP A 14 -16.807 -7.603 4.346 1.00 32.44 C ATOM 181 NE1 TRP A 14 -14.870 -8.307 3.468 1.00 71.13 N ATOM 182 CE2 TRP A 14 -15.481 -7.231 4.055 1.00 74.33 C ATOM 183 CE3 TRP A 14 -17.650 -6.670 4.956 1.00 3.03 C ATOM 184 CZ2 TRP A 14 -14.979 -5.966 4.356 1.00 23.21 C ATOM 185 CZ3 TRP A 14 -17.152 -5.415 5.253 1.00 30.33 C ATOM 186 CH2 TRP A 14 -15.828 -5.073 4.952 1.00 52.32 C ATOM 0 H TRP A 14 -17.437 -8.818 6.375 1.00 71.55 H new ATOM 0 HA TRP A 14 -19.455 -10.780 5.454 1.00 61.21 H new ATOM 0 HB2 TRP A 14 -18.166 -10.594 3.278 1.00 50.43 H new ATOM 0 HB3 TRP A 14 -19.078 -9.170 3.736 1.00 50.43 H new ATOM 0 HD1 TRP A 14 -15.564 -10.311 2.959 1.00 73.01 H new ATOM 0 HE1 TRP A 14 -13.902 -8.337 3.148 1.00 71.13 H new ATOM 0 HE3 TRP A 14 -18.673 -6.925 5.191 1.00 3.03 H new ATOM 0 HZ2 TRP A 14 -13.958 -5.700 4.127 1.00 23.21 H new ATOM 0 HZ3 TRP A 14 -17.795 -4.687 5.725 1.00 30.33 H new ATOM 0 HH2 TRP A 14 -15.469 -4.084 5.195 1.00 52.32 H new ATOM 197 N GLY A 15 -17.969 -12.640 6.128 1.00 2.12 N ATOM 198 CA GLY A 15 -17.119 -13.783 6.401 1.00 33.24 C ATOM 199 C GLY A 15 -16.264 -13.588 7.638 1.00 3.24 C ATOM 200 O GLY A 15 -16.684 -13.909 8.749 1.00 22.31 O ATOM 0 H GLY A 15 -18.958 -12.783 6.334 1.00 2.12 H new ATOM 0 HA2 GLY A 15 -17.739 -14.671 6.528 1.00 33.24 H new ATOM 0 HA3 GLY A 15 -16.473 -13.965 5.542 1.00 33.24 H new ATOM 204 N THR A 16 -15.059 -13.061 7.445 1.00 13.34 N ATOM 205 CA THR A 16 -14.142 -12.825 8.552 1.00 13.03 C ATOM 206 C THR A 16 -13.836 -11.340 8.708 1.00 4.52 C ATOM 207 O THR A 16 -13.355 -10.900 9.751 1.00 23.15 O ATOM 208 CB THR A 16 -12.819 -13.592 8.360 1.00 63.21 C ATOM 209 OG1 THR A 16 -11.932 -13.320 9.450 1.00 71.30 O ATOM 210 CG2 THR A 16 -12.154 -13.203 7.048 1.00 71.54 C ATOM 0 H THR A 16 -14.696 -12.790 6.531 1.00 13.34 H new ATOM 0 HA THR A 16 -14.637 -13.187 9.453 1.00 13.03 H new ATOM 0 HB THR A 16 -13.043 -14.658 8.333 1.00 63.21 H new ATOM 0 HG1 THR A 16 -12.166 -12.459 9.855 1.00 71.30 H new ATOM 0 HG21 THR A 16 -11.222 -13.757 6.934 1.00 71.54 H new ATOM 0 HG22 THR A 16 -12.820 -13.439 6.218 1.00 71.54 H new ATOM 0 HG23 THR A 16 -11.943 -12.134 7.050 1.00 71.54 H new ATOM 218 N GLY A 17 -14.120 -10.569 7.661 1.00 34.13 N ATOM 219 CA GLY A 17 -13.868 -9.141 7.702 1.00 63.40 C ATOM 220 C GLY A 17 -15.027 -8.366 8.298 1.00 62.03 C ATOM 221 O GLY A 17 -16.187 -8.746 8.135 1.00 33.24 O ATOM 0 H GLY A 17 -14.520 -10.909 6.786 1.00 34.13 H new ATOM 0 HA2 GLY A 17 -12.968 -8.950 8.287 1.00 63.40 H new ATOM 0 HA3 GLY A 17 -13.674 -8.780 6.692 1.00 63.40 H new ATOM 225 N PHE A 18 -14.714 -7.276 8.991 1.00 34.42 N ATOM 226 CA PHE A 18 -15.738 -6.448 9.616 1.00 70.11 C ATOM 227 C PHE A 18 -15.558 -4.982 9.235 1.00 51.52 C ATOM 228 O PHE A 18 -14.435 -4.506 9.066 1.00 63.31 O ATOM 229 CB PHE A 18 -15.689 -6.601 11.138 1.00 45.04 C ATOM 230 CG PHE A 18 -14.567 -5.837 11.782 1.00 3.14 C ATOM 231 CD1 PHE A 18 -14.746 -4.523 12.182 1.00 51.54 C ATOM 232 CD2 PHE A 18 -13.334 -6.435 11.986 1.00 65.12 C ATOM 233 CE1 PHE A 18 -13.715 -3.818 12.775 1.00 5.02 C ATOM 234 CE2 PHE A 18 -12.300 -5.735 12.579 1.00 1.01 C ATOM 235 CZ PHE A 18 -12.491 -4.425 12.973 1.00 13.22 C ATOM 0 H PHE A 18 -13.759 -6.946 9.134 1.00 34.42 H new ATOM 0 HA PHE A 18 -16.711 -6.782 9.256 1.00 70.11 H new ATOM 0 HB2 PHE A 18 -16.636 -6.264 11.560 1.00 45.04 H new ATOM 0 HB3 PHE A 18 -15.588 -7.658 11.386 1.00 45.04 H new ATOM 0 HD1 PHE A 18 -15.702 -4.044 12.029 1.00 51.54 H new ATOM 0 HD2 PHE A 18 -13.179 -7.459 11.679 1.00 65.12 H new ATOM 0 HE1 PHE A 18 -13.867 -2.794 13.083 1.00 5.02 H new ATOM 0 HE2 PHE A 18 -11.344 -6.212 12.734 1.00 1.01 H new ATOM 0 HZ PHE A 18 -11.684 -3.876 13.435 1.00 13.22 H new ATOM 245 N GLY A 19 -16.673 -4.269 9.101 1.00 31.10 N ATOM 246 CA GLY A 19 -16.616 -2.864 8.740 1.00 21.24 C ATOM 247 C GLY A 19 -16.855 -1.951 9.926 1.00 3.24 C ATOM 248 O GLY A 19 -17.971 -1.867 10.439 1.00 61.10 O ATOM 0 H GLY A 19 -17.614 -4.639 9.236 1.00 31.10 H new ATOM 0 HA2 GLY A 19 -15.641 -2.643 8.306 1.00 21.24 H new ATOM 0 HA3 GLY A 19 -17.361 -2.659 7.971 1.00 21.24 H new ATOM 252 N GLY A 20 -15.805 -1.265 10.364 1.00 52.02 N ATOM 253 CA GLY A 20 -15.926 -0.364 11.495 1.00 62.51 C ATOM 254 C GLY A 20 -16.488 0.989 11.101 1.00 34.54 C ATOM 255 O GLY A 20 -16.051 1.588 10.119 1.00 72.53 O ATOM 0 H GLY A 20 -14.872 -1.317 9.956 1.00 52.02 H new ATOM 0 HA2 GLY A 20 -16.571 -0.816 12.249 1.00 62.51 H new ATOM 0 HA3 GLY A 20 -14.947 -0.228 11.954 1.00 62.51 H new ATOM 259 N SER A 21 -17.461 1.469 11.868 1.00 30.50 N ATOM 260 CA SER A 21 -18.088 2.755 11.591 1.00 62.14 C ATOM 261 C SER A 21 -17.909 3.711 12.766 1.00 71.04 C ATOM 262 O SER A 21 -18.640 3.642 13.754 1.00 45.02 O ATOM 263 CB SER A 21 -19.578 2.568 11.294 1.00 71.00 C ATOM 264 OG SER A 21 -20.336 3.664 11.777 1.00 11.11 O ATOM 0 H SER A 21 -17.832 0.986 12.686 1.00 30.50 H new ATOM 0 HA SER A 21 -17.602 3.186 10.716 1.00 62.14 H new ATOM 0 HB2 SER A 21 -19.728 2.464 10.219 1.00 71.00 H new ATOM 0 HB3 SER A 21 -19.931 1.646 11.756 1.00 71.00 H new ATOM 0 HG SER A 21 -21.284 3.521 11.574 1.00 11.11 H new ATOM 270 N TRP A 22 -16.931 4.603 12.651 1.00 70.03 N ATOM 271 CA TRP A 22 -16.655 5.574 13.704 1.00 14.32 C ATOM 272 C TRP A 22 -17.454 6.854 13.487 1.00 71.41 C ATOM 273 O TRP A 22 -17.447 7.426 12.397 1.00 23.00 O ATOM 274 CB TRP A 22 -15.160 5.893 13.752 1.00 53.10 C ATOM 275 CG TRP A 22 -14.335 4.789 14.342 1.00 44.44 C ATOM 276 CD1 TRP A 22 -13.568 3.887 13.664 1.00 13.15 C ATOM 277 CD2 TRP A 22 -14.197 4.473 15.732 1.00 11.51 C ATOM 278 NE1 TRP A 22 -12.960 3.027 14.547 1.00 23.34 N ATOM 279 CE2 TRP A 22 -13.330 3.366 15.822 1.00 20.23 C ATOM 280 CE3 TRP A 22 -14.719 5.017 16.908 1.00 33.05 C ATOM 281 CZ2 TRP A 22 -12.977 2.795 17.042 1.00 44.11 C ATOM 282 CZ3 TRP A 22 -14.368 4.450 18.118 1.00 30.45 C ATOM 283 CH2 TRP A 22 -13.504 3.348 18.178 1.00 55.10 C ATOM 0 H TRP A 22 -16.317 4.674 11.840 1.00 70.03 H new ATOM 0 HA TRP A 22 -16.957 5.137 14.656 1.00 14.32 H new ATOM 0 HB2 TRP A 22 -14.807 6.100 12.742 1.00 53.10 H new ATOM 0 HB3 TRP A 22 -15.008 6.801 14.335 1.00 53.10 H new ATOM 0 HD1 TRP A 22 -13.455 3.854 12.590 1.00 13.15 H new ATOM 0 HE1 TRP A 22 -12.335 2.261 14.294 1.00 23.34 H new ATOM 0 HE3 TRP A 22 -15.385 5.866 16.872 1.00 33.05 H new ATOM 0 HZ2 TRP A 22 -12.311 1.946 17.090 1.00 44.11 H new ATOM 0 HZ3 TRP A 22 -14.766 4.863 19.033 1.00 30.45 H new ATOM 0 HH2 TRP A 22 -13.249 2.927 19.139 1.00 55.10 H new ATOM 294 N THR A 23 -18.143 7.300 14.534 1.00 5.14 N ATOM 295 CA THR A 23 -18.949 8.512 14.457 1.00 55.14 C ATOM 296 C THR A 23 -18.278 9.665 15.197 1.00 24.51 C ATOM 297 O THR A 23 -17.901 9.532 16.361 1.00 52.22 O ATOM 298 CB THR A 23 -20.356 8.290 15.043 1.00 0.32 C ATOM 299 OG1 THR A 23 -20.855 7.008 14.644 1.00 42.35 O ATOM 300 CG2 THR A 23 -21.312 9.379 14.580 1.00 2.34 C ATOM 0 H THR A 23 -18.159 6.840 15.444 1.00 5.14 H new ATOM 0 HA THR A 23 -19.040 8.765 13.401 1.00 55.14 H new ATOM 0 HB THR A 23 -20.285 8.330 16.130 1.00 0.32 H new ATOM 0 HG1 THR A 23 -21.749 6.873 15.022 1.00 42.35 H new ATOM 0 HG21 THR A 23 -22.299 9.202 15.006 1.00 2.34 H new ATOM 0 HG22 THR A 23 -20.944 10.351 14.909 1.00 2.34 H new ATOM 0 HG23 THR A 23 -21.379 9.366 13.492 1.00 2.34 H new ATOM 308 N VAL A 24 -18.136 10.796 14.515 1.00 61.34 N ATOM 309 CA VAL A 24 -17.514 11.973 15.109 1.00 52.34 C ATOM 310 C VAL A 24 -18.339 13.227 14.840 1.00 50.10 C ATOM 311 O VAL A 24 -18.759 13.476 13.710 1.00 62.01 O ATOM 312 CB VAL A 24 -16.086 12.186 14.570 1.00 41.23 C ATOM 313 CG1 VAL A 24 -15.372 13.271 15.361 1.00 72.54 C ATOM 314 CG2 VAL A 24 -15.302 10.883 14.610 1.00 5.43 C ATOM 0 H VAL A 24 -18.443 10.922 13.551 1.00 61.34 H new ATOM 0 HA VAL A 24 -17.467 11.797 16.184 1.00 52.34 H new ATOM 0 HB VAL A 24 -16.154 12.512 13.532 1.00 41.23 H new ATOM 0 HG11 VAL A 24 -14.365 13.407 14.966 1.00 72.54 H new ATOM 0 HG12 VAL A 24 -15.925 14.207 15.276 1.00 72.54 H new ATOM 0 HG13 VAL A 24 -15.314 12.978 16.409 1.00 72.54 H new ATOM 0 HG21 VAL A 24 -14.296 11.052 14.226 1.00 5.43 H new ATOM 0 HG22 VAL A 24 -15.243 10.525 15.638 1.00 5.43 H new ATOM 0 HG23 VAL A 24 -15.805 10.137 13.995 1.00 5.43 H new ATOM 324 N LYS A 25 -18.567 14.014 15.886 1.00 2.14 N ATOM 325 CA LYS A 25 -19.340 15.244 15.763 1.00 24.50 C ATOM 326 C LYS A 25 -18.781 16.332 16.674 1.00 63.21 C ATOM 327 O LYS A 25 -18.421 16.069 17.821 1.00 50.22 O ATOM 328 CB LYS A 25 -20.809 14.983 16.106 1.00 11.15 C ATOM 329 CG LYS A 25 -21.733 16.131 15.737 1.00 21.51 C ATOM 330 CD LYS A 25 -23.010 16.105 16.561 1.00 30.31 C ATOM 331 CE LYS A 25 -24.232 16.401 15.704 1.00 50.12 C ATOM 332 NZ LYS A 25 -24.813 15.161 15.120 1.00 43.20 N ATOM 0 H LYS A 25 -18.227 13.822 16.828 1.00 2.14 H new ATOM 0 HA LYS A 25 -19.268 15.587 14.731 1.00 24.50 H new ATOM 0 HB2 LYS A 25 -21.139 14.082 15.590 1.00 11.15 H new ATOM 0 HB3 LYS A 25 -20.895 14.788 17.175 1.00 11.15 H new ATOM 0 HG2 LYS A 25 -21.218 17.079 15.893 1.00 21.51 H new ATOM 0 HG3 LYS A 25 -21.981 16.073 14.677 1.00 21.51 H new ATOM 0 HD2 LYS A 25 -23.122 15.128 17.031 1.00 30.31 H new ATOM 0 HD3 LYS A 25 -22.941 16.839 17.364 1.00 30.31 H new ATOM 0 HE2 LYS A 25 -24.986 16.906 16.308 1.00 50.12 H new ATOM 0 HE3 LYS A 25 -23.956 17.085 14.902 1.00 50.12 H new ATOM 0 HZ1 LYS A 25 -25.643 15.405 14.543 1.00 43.20 H new ATOM 0 HZ2 LYS A 25 -24.102 14.692 14.523 1.00 43.20 H new ATOM 0 HZ3 LYS A 25 -25.100 14.518 15.886 1.00 43.20 H new ATOM 346 N ASN A 26 -18.713 17.554 16.157 1.00 51.41 N ATOM 347 CA ASN A 26 -18.197 18.682 16.924 1.00 24.24 C ATOM 348 C ASN A 26 -19.260 19.765 17.079 1.00 65.01 C ATOM 349 O ASN A 26 -19.898 20.169 16.106 1.00 5.44 O ATOM 350 CB ASN A 26 -16.956 19.263 16.246 1.00 13.03 C ATOM 351 CG ASN A 26 -16.101 18.195 15.591 1.00 0.02 C ATOM 352 OD1 ASN A 26 -15.548 17.326 16.266 1.00 70.33 O ATOM 353 ND2 ASN A 26 -15.989 18.255 14.270 1.00 14.03 N ATOM 0 H ASN A 26 -19.009 17.789 15.210 1.00 51.41 H new ATOM 0 HA ASN A 26 -17.924 18.320 17.915 1.00 24.24 H new ATOM 0 HB2 ASN A 26 -17.263 19.990 15.494 1.00 13.03 H new ATOM 0 HB3 ASN A 26 -16.360 19.800 16.984 1.00 13.03 H new ATOM 0 HD21 ASN A 26 -15.427 17.563 13.774 1.00 14.03 H new ATOM 0 HD22 ASN A 26 -16.465 18.993 13.751 1.00 14.03 H new ATOM 360 N THR A 27 -19.446 20.234 18.309 1.00 34.25 N ATOM 361 CA THR A 27 -20.431 21.270 18.592 1.00 53.21 C ATOM 362 C THR A 27 -20.115 21.987 19.899 1.00 55.41 C ATOM 363 O THR A 27 -19.370 21.475 20.735 1.00 41.21 O ATOM 364 CB THR A 27 -21.854 20.685 18.671 1.00 72.21 C ATOM 365 OG1 THR A 27 -22.801 21.732 18.912 1.00 72.51 O ATOM 366 CG2 THR A 27 -21.950 19.644 19.777 1.00 10.23 C ATOM 0 H THR A 27 -18.927 19.912 19.126 1.00 34.25 H new ATOM 0 HA THR A 27 -20.385 21.984 17.769 1.00 53.21 H new ATOM 0 HB THR A 27 -22.079 20.204 17.719 1.00 72.21 H new ATOM 0 HG1 THR A 27 -23.703 21.352 18.959 1.00 72.51 H new ATOM 0 HG21 THR A 27 -22.964 19.245 19.814 1.00 10.23 H new ATOM 0 HG22 THR A 27 -21.248 18.834 19.577 1.00 10.23 H new ATOM 0 HG23 THR A 27 -21.707 20.106 20.734 1.00 10.23 H new ATOM 374 N GLY A 28 -20.685 23.176 20.070 1.00 60.32 N ATOM 375 CA GLY A 28 -20.452 23.944 21.279 1.00 25.11 C ATOM 376 C GLY A 28 -19.110 24.649 21.268 1.00 63.32 C ATOM 377 O GLY A 28 -19.042 25.874 21.379 1.00 5.34 O ATOM 0 H GLY A 28 -21.304 23.621 19.393 1.00 60.32 H new ATOM 0 HA2 GLY A 28 -21.246 24.682 21.396 1.00 25.11 H new ATOM 0 HA3 GLY A 28 -20.504 23.281 22.143 1.00 25.11 H new ATOM 381 N THR A 29 -18.037 23.875 21.135 1.00 61.52 N ATOM 382 CA THR A 29 -16.691 24.432 21.114 1.00 32.25 C ATOM 383 C THR A 29 -16.500 25.361 19.920 1.00 24.50 C ATOM 384 O THR A 29 -17.257 25.308 18.951 1.00 44.11 O ATOM 385 CB THR A 29 -15.624 23.322 21.061 1.00 22.10 C ATOM 386 OG1 THR A 29 -14.322 23.884 21.256 1.00 61.12 O ATOM 387 CG2 THR A 29 -15.671 22.589 19.729 1.00 63.11 C ATOM 0 H THR A 29 -18.075 22.860 21.040 1.00 61.52 H new ATOM 0 HA THR A 29 -16.569 24.999 22.037 1.00 32.25 H new ATOM 0 HB THR A 29 -15.834 22.609 21.858 1.00 22.10 H new ATOM 0 HG1 THR A 29 -13.650 23.172 21.223 1.00 61.12 H new ATOM 0 HG21 THR A 29 -14.909 21.810 19.715 1.00 63.11 H new ATOM 0 HG22 THR A 29 -16.654 22.137 19.597 1.00 63.11 H new ATOM 0 HG23 THR A 29 -15.484 23.294 18.919 1.00 63.11 H new ATOM 395 N THR A 30 -15.483 26.213 19.997 1.00 40.41 N ATOM 396 CA THR A 30 -15.192 27.155 18.924 1.00 4.55 C ATOM 397 C THR A 30 -14.948 26.429 17.605 1.00 61.43 C ATOM 398 O THR A 30 -15.026 25.203 17.538 1.00 21.24 O ATOM 399 CB THR A 30 -13.962 28.022 19.254 1.00 43.30 C ATOM 400 OG1 THR A 30 -12.809 27.191 19.425 1.00 2.12 O ATOM 401 CG2 THR A 30 -14.198 28.837 20.516 1.00 3.23 C ATOM 0 H THR A 30 -14.847 26.270 20.792 1.00 40.41 H new ATOM 0 HA THR A 30 -16.066 27.799 18.825 1.00 4.55 H new ATOM 0 HB THR A 30 -13.795 28.708 18.424 1.00 43.30 H new ATOM 0 HG1 THR A 30 -12.031 27.750 19.633 1.00 2.12 H new ATOM 0 HG21 THR A 30 -13.316 29.441 20.729 1.00 3.23 H new ATOM 0 HG22 THR A 30 -15.059 29.490 20.372 1.00 3.23 H new ATOM 0 HG23 THR A 30 -14.388 28.165 21.353 1.00 3.23 H new ATOM 409 N SER A 31 -14.652 27.193 16.559 1.00 60.14 N ATOM 410 CA SER A 31 -14.400 26.622 15.241 1.00 61.34 C ATOM 411 C SER A 31 -13.313 25.554 15.312 1.00 34.22 C ATOM 412 O SER A 31 -12.195 25.817 15.758 1.00 60.41 O ATOM 413 CB SER A 31 -13.991 27.719 14.257 1.00 53.11 C ATOM 414 OG SER A 31 -13.233 28.727 14.902 1.00 52.14 O ATOM 0 H SER A 31 -14.581 28.210 16.598 1.00 60.14 H new ATOM 0 HA SER A 31 -15.321 26.156 14.891 1.00 61.34 H new ATOM 0 HB2 SER A 31 -13.408 27.284 13.445 1.00 53.11 H new ATOM 0 HB3 SER A 31 -14.881 28.160 13.809 1.00 53.11 H new ATOM 0 HG SER A 31 -12.983 29.415 14.251 1.00 52.14 H new ATOM 420 N LEU A 32 -13.648 24.348 14.868 1.00 11.20 N ATOM 421 CA LEU A 32 -12.701 23.238 14.879 1.00 60.31 C ATOM 422 C LEU A 32 -11.529 23.512 13.943 1.00 13.31 C ATOM 423 O LEU A 32 -11.666 24.234 12.955 1.00 21.44 O ATOM 424 CB LEU A 32 -13.401 21.940 14.472 1.00 65.12 C ATOM 425 CG LEU A 32 -13.985 21.106 15.612 1.00 21.14 C ATOM 426 CD1 LEU A 32 -12.877 20.594 16.520 1.00 33.53 C ATOM 427 CD2 LEU A 32 -14.995 21.920 16.407 1.00 52.31 C ATOM 0 H LEU A 32 -14.568 24.113 14.496 1.00 11.20 H new ATOM 0 HA LEU A 32 -12.315 23.133 15.893 1.00 60.31 H new ATOM 0 HB2 LEU A 32 -14.206 22.187 13.780 1.00 65.12 H new ATOM 0 HB3 LEU A 32 -12.688 21.323 13.925 1.00 65.12 H new ATOM 0 HG LEU A 32 -14.500 20.248 15.181 1.00 21.14 H new ATOM 0 HD11 LEU A 32 -13.311 20.002 17.326 1.00 33.53 H new ATOM 0 HD12 LEU A 32 -12.191 19.973 15.943 1.00 33.53 H new ATOM 0 HD13 LEU A 32 -12.333 21.439 16.943 1.00 33.53 H new ATOM 0 HD21 LEU A 32 -15.400 21.309 17.214 1.00 52.31 H new ATOM 0 HD22 LEU A 32 -14.505 22.798 16.827 1.00 52.31 H new ATOM 0 HD23 LEU A 32 -15.805 22.236 15.750 1.00 52.31 H new ATOM 439 N SER A 33 -10.377 22.930 14.260 1.00 41.42 N ATOM 440 CA SER A 33 -9.180 23.113 13.448 1.00 33.02 C ATOM 441 C SER A 33 -8.728 21.789 12.840 1.00 34.12 C ATOM 442 O SER A 33 -7.960 21.764 11.878 1.00 33.22 O ATOM 443 CB SER A 33 -8.052 23.711 14.291 1.00 53.14 C ATOM 444 OG SER A 33 -6.901 23.958 13.502 1.00 53.12 O ATOM 0 H SER A 33 -10.247 22.328 15.073 1.00 41.42 H new ATOM 0 HA SER A 33 -9.423 23.801 12.638 1.00 33.02 H new ATOM 0 HB2 SER A 33 -8.390 24.641 14.748 1.00 53.14 H new ATOM 0 HB3 SER A 33 -7.800 23.029 15.103 1.00 53.14 H new ATOM 0 HG SER A 33 -6.195 24.341 14.064 1.00 53.12 H new ATOM 450 N SER A 34 -9.210 20.688 13.409 1.00 40.15 N ATOM 451 CA SER A 34 -8.853 19.359 12.928 1.00 23.34 C ATOM 452 C SER A 34 -9.512 18.279 13.778 1.00 32.55 C ATOM 453 O SER A 34 -9.783 18.483 14.961 1.00 63.24 O ATOM 454 CB SER A 34 -7.335 19.179 12.941 1.00 34.14 C ATOM 455 OG SER A 34 -6.722 20.074 13.853 1.00 43.02 O ATOM 0 H SER A 34 -9.849 20.691 14.204 1.00 40.15 H new ATOM 0 HA SER A 34 -9.214 19.261 11.904 1.00 23.34 H new ATOM 0 HB2 SER A 34 -7.090 18.153 13.214 1.00 34.14 H new ATOM 0 HB3 SER A 34 -6.937 19.346 11.940 1.00 34.14 H new ATOM 0 HG SER A 34 -5.752 19.937 13.843 1.00 43.02 H new ATOM 461 N TRP A 35 -9.768 17.127 13.167 1.00 71.25 N ATOM 462 CA TRP A 35 -10.394 16.012 13.868 1.00 25.31 C ATOM 463 C TRP A 35 -9.643 14.712 13.606 1.00 31.30 C ATOM 464 O TRP A 35 -9.398 14.344 12.457 1.00 1.44 O ATOM 465 CB TRP A 35 -11.855 15.867 13.435 1.00 73.35 C ATOM 466 CG TRP A 35 -12.012 15.495 11.992 1.00 32.02 C ATOM 467 CD1 TRP A 35 -12.131 16.349 10.933 1.00 51.41 C ATOM 468 CD2 TRP A 35 -12.071 14.171 11.450 1.00 74.23 C ATOM 469 NE1 TRP A 35 -12.258 15.636 9.766 1.00 23.22 N ATOM 470 CE2 TRP A 35 -12.224 14.298 10.056 1.00 33.33 C ATOM 471 CE3 TRP A 35 -12.006 12.891 12.007 1.00 21.50 C ATOM 472 CZ2 TRP A 35 -12.316 13.192 9.214 1.00 53.44 C ATOM 473 CZ3 TRP A 35 -12.097 11.795 11.170 1.00 20.31 C ATOM 474 CH2 TRP A 35 -12.249 11.951 9.785 1.00 71.44 C ATOM 0 H TRP A 35 -9.552 16.941 12.188 1.00 71.25 H new ATOM 0 HA TRP A 35 -10.357 16.221 14.937 1.00 25.31 H new ATOM 0 HB2 TRP A 35 -12.336 15.109 14.053 1.00 73.35 H new ATOM 0 HB3 TRP A 35 -12.376 16.806 13.620 1.00 73.35 H new ATOM 0 HD1 TRP A 35 -12.126 17.427 11.003 1.00 51.41 H new ATOM 0 HE1 TRP A 35 -12.361 16.038 8.834 1.00 23.22 H new ATOM 0 HE3 TRP A 35 -11.887 12.761 13.072 1.00 21.50 H new ATOM 0 HZ2 TRP A 35 -12.436 13.310 8.147 1.00 53.44 H new ATOM 0 HZ3 TRP A 35 -12.050 10.801 11.590 1.00 20.31 H new ATOM 0 HH2 TRP A 35 -12.314 11.075 9.157 1.00 71.44 H new ATOM 485 N THR A 36 -9.278 14.017 14.680 1.00 42.32 N ATOM 486 CA THR A 36 -8.553 12.758 14.566 1.00 4.32 C ATOM 487 C THR A 36 -9.005 11.765 15.630 1.00 60.21 C ATOM 488 O THR A 36 -8.976 12.063 16.823 1.00 70.43 O ATOM 489 CB THR A 36 -7.033 12.972 14.692 1.00 41.02 C ATOM 490 OG1 THR A 36 -6.563 13.796 13.619 1.00 11.32 O ATOM 491 CG2 THR A 36 -6.296 11.642 14.676 1.00 74.14 C ATOM 0 H THR A 36 -9.473 14.306 15.639 1.00 42.32 H new ATOM 0 HA THR A 36 -8.775 12.354 13.578 1.00 4.32 H new ATOM 0 HB THR A 36 -6.836 13.467 15.643 1.00 41.02 H new ATOM 0 HG1 THR A 36 -5.596 13.928 13.708 1.00 11.32 H new ATOM 0 HG21 THR A 36 -5.224 11.819 14.766 1.00 74.14 H new ATOM 0 HG22 THR A 36 -6.634 11.029 15.511 1.00 74.14 H new ATOM 0 HG23 THR A 36 -6.501 11.124 13.739 1.00 74.14 H new ATOM 499 N VAL A 37 -9.422 10.582 15.189 1.00 72.23 N ATOM 500 CA VAL A 37 -9.878 9.543 16.105 1.00 70.21 C ATOM 501 C VAL A 37 -8.893 8.381 16.152 1.00 70.32 C ATOM 502 O VAL A 37 -8.816 7.582 15.220 1.00 31.12 O ATOM 503 CB VAL A 37 -11.266 9.010 15.702 1.00 13.32 C ATOM 504 CG1 VAL A 37 -11.789 8.038 16.749 1.00 1.41 C ATOM 505 CG2 VAL A 37 -12.239 10.161 15.496 1.00 21.34 C ATOM 0 H VAL A 37 -9.453 10.320 14.204 1.00 72.23 H new ATOM 0 HA VAL A 37 -9.945 9.998 17.093 1.00 70.21 H new ATOM 0 HB VAL A 37 -11.171 8.473 14.758 1.00 13.32 H new ATOM 0 HG11 VAL A 37 -12.770 7.672 16.448 1.00 1.41 H new ATOM 0 HG12 VAL A 37 -11.101 7.198 16.841 1.00 1.41 H new ATOM 0 HG13 VAL A 37 -11.871 8.547 17.709 1.00 1.41 H new ATOM 0 HG21 VAL A 37 -13.214 9.766 15.212 1.00 21.34 H new ATOM 0 HG22 VAL A 37 -12.333 10.728 16.422 1.00 21.34 H new ATOM 0 HG23 VAL A 37 -11.868 10.814 14.706 1.00 21.34 H new ATOM 515 N GLU A 38 -8.141 8.293 17.246 1.00 0.50 N ATOM 516 CA GLU A 38 -7.160 7.228 17.413 1.00 61.31 C ATOM 517 C GLU A 38 -7.514 6.345 18.606 1.00 64.21 C ATOM 518 O GLU A 38 -8.133 6.802 19.568 1.00 31.43 O ATOM 519 CB GLU A 38 -5.761 7.818 17.601 1.00 53.25 C ATOM 520 CG GLU A 38 -5.705 8.942 18.621 1.00 22.40 C ATOM 521 CD GLU A 38 -5.592 10.310 17.978 1.00 53.01 C ATOM 522 OE1 GLU A 38 -4.565 10.571 17.317 1.00 53.23 O ATOM 523 OE2 GLU A 38 -6.530 11.119 18.133 1.00 73.44 O ATOM 0 H GLU A 38 -8.193 8.946 18.028 1.00 0.50 H new ATOM 0 HA GLU A 38 -7.171 6.615 16.512 1.00 61.31 H new ATOM 0 HB2 GLU A 38 -5.080 7.025 17.910 1.00 53.25 H new ATOM 0 HB3 GLU A 38 -5.402 8.191 16.642 1.00 53.25 H new ATOM 0 HG2 GLU A 38 -6.601 8.909 19.241 1.00 22.40 H new ATOM 0 HG3 GLU A 38 -4.853 8.785 19.283 1.00 22.40 H new ATOM 530 N TRP A 39 -7.120 5.079 18.536 1.00 12.24 N ATOM 531 CA TRP A 39 -7.397 4.131 19.609 1.00 41.11 C ATOM 532 C TRP A 39 -6.343 3.030 19.649 1.00 11.51 C ATOM 533 O TRP A 39 -5.562 2.872 18.710 1.00 54.52 O ATOM 534 CB TRP A 39 -8.786 3.516 19.429 1.00 65.14 C ATOM 535 CG TRP A 39 -9.474 3.961 18.174 1.00 64.11 C ATOM 536 CD1 TRP A 39 -10.560 4.786 18.082 1.00 54.10 C ATOM 537 CD2 TRP A 39 -9.125 3.605 16.832 1.00 74.11 C ATOM 538 NE1 TRP A 39 -10.905 4.963 16.764 1.00 3.03 N ATOM 539 CE2 TRP A 39 -10.040 4.249 15.977 1.00 31.21 C ATOM 540 CE3 TRP A 39 -8.126 2.805 16.269 1.00 45.13 C ATOM 541 CZ2 TRP A 39 -9.986 4.116 14.592 1.00 43.35 C ATOM 542 CZ3 TRP A 39 -8.074 2.673 14.895 1.00 41.24 C ATOM 543 CH2 TRP A 39 -8.998 3.327 14.069 1.00 1.41 C ATOM 0 H TRP A 39 -6.607 4.685 17.747 1.00 12.24 H new ATOM 0 HA TRP A 39 -7.366 4.673 20.554 1.00 41.11 H new ATOM 0 HB2 TRP A 39 -8.696 2.430 19.420 1.00 65.14 H new ATOM 0 HB3 TRP A 39 -9.405 3.778 20.287 1.00 65.14 H new ATOM 0 HD1 TRP A 39 -11.071 5.233 18.922 1.00 54.10 H new ATOM 0 HE1 TRP A 39 -11.680 5.534 16.426 1.00 3.03 H new ATOM 0 HE3 TRP A 39 -7.408 2.299 16.897 1.00 45.13 H new ATOM 0 HZ2 TRP A 39 -10.698 4.618 13.954 1.00 43.35 H new ATOM 0 HZ3 TRP A 39 -7.308 2.055 14.450 1.00 41.24 H new ATOM 0 HH2 TRP A 39 -8.929 3.206 12.998 1.00 1.41 H new ATOM 554 N ASP A 40 -6.326 2.272 20.739 1.00 34.40 N ATOM 555 CA ASP A 40 -5.367 1.185 20.900 1.00 24.23 C ATOM 556 C ASP A 40 -5.999 -0.155 20.535 1.00 45.13 C ATOM 557 O ASP A 40 -7.107 -0.470 20.970 1.00 52.43 O ATOM 558 CB ASP A 40 -4.848 1.143 22.337 1.00 73.14 C ATOM 559 CG ASP A 40 -3.897 2.283 22.643 1.00 13.51 C ATOM 560 OD1 ASP A 40 -4.342 3.450 22.623 1.00 64.43 O ATOM 561 OD2 ASP A 40 -2.706 2.010 22.901 1.00 30.44 O ATOM 0 H ASP A 40 -6.965 2.390 21.525 1.00 34.40 H new ATOM 0 HA ASP A 40 -4.531 1.368 20.225 1.00 24.23 H new ATOM 0 HB2 ASP A 40 -5.692 1.183 23.026 1.00 73.14 H new ATOM 0 HB3 ASP A 40 -4.340 0.194 22.509 1.00 73.14 H new ATOM 566 N PHE A 41 -5.288 -0.940 19.733 1.00 44.41 N ATOM 567 CA PHE A 41 -5.780 -2.245 19.307 1.00 14.34 C ATOM 568 C PHE A 41 -4.930 -3.366 19.899 1.00 21.22 C ATOM 569 O PHE A 41 -4.101 -3.974 19.222 1.00 2.44 O ATOM 570 CB PHE A 41 -5.779 -2.340 17.780 1.00 33.15 C ATOM 571 CG PHE A 41 -7.080 -1.928 17.152 1.00 32.42 C ATOM 572 CD1 PHE A 41 -8.279 -2.460 17.600 1.00 63.11 C ATOM 573 CD2 PHE A 41 -7.104 -1.009 16.117 1.00 54.10 C ATOM 574 CE1 PHE A 41 -9.477 -2.083 17.023 1.00 65.42 C ATOM 575 CE2 PHE A 41 -8.299 -0.628 15.537 1.00 63.14 C ATOM 576 CZ PHE A 41 -9.487 -1.165 15.992 1.00 44.41 C ATOM 0 H PHE A 41 -4.369 -0.695 19.365 1.00 44.41 H new ATOM 0 HA PHE A 41 -6.802 -2.357 19.670 1.00 14.34 H new ATOM 0 HB2 PHE A 41 -4.980 -1.712 17.386 1.00 33.15 H new ATOM 0 HB3 PHE A 41 -5.553 -3.365 17.488 1.00 33.15 H new ATOM 0 HD1 PHE A 41 -8.277 -3.176 18.408 1.00 63.11 H new ATOM 0 HD2 PHE A 41 -6.178 -0.585 15.759 1.00 54.10 H new ATOM 0 HE1 PHE A 41 -10.405 -2.506 17.379 1.00 65.42 H new ATOM 0 HE2 PHE A 41 -8.304 0.089 14.729 1.00 63.14 H new ATOM 0 HZ PHE A 41 -10.423 -0.867 15.542 1.00 44.41 H new ATOM 586 N PRO A 42 -5.139 -3.646 21.194 1.00 3.20 N ATOM 587 CA PRO A 42 -4.402 -4.694 21.906 1.00 21.14 C ATOM 588 C PRO A 42 -4.789 -6.093 21.439 1.00 33.51 C ATOM 589 O PRO A 42 -3.928 -6.915 21.125 1.00 42.52 O ATOM 590 CB PRO A 42 -4.811 -4.485 23.366 1.00 63.33 C ATOM 591 CG PRO A 42 -6.143 -3.821 23.295 1.00 40.15 C ATOM 592 CD PRO A 42 -6.112 -2.961 22.062 1.00 42.01 C ATOM 0 HA PRO A 42 -3.328 -4.625 21.736 1.00 21.14 H new ATOM 0 HB2 PRO A 42 -4.869 -5.433 23.900 1.00 63.33 H new ATOM 0 HB3 PRO A 42 -4.087 -3.865 23.895 1.00 63.33 H new ATOM 0 HG2 PRO A 42 -6.944 -4.558 23.237 1.00 40.15 H new ATOM 0 HG3 PRO A 42 -6.327 -3.220 24.185 1.00 40.15 H new ATOM 0 HD2 PRO A 42 -7.094 -2.896 21.592 1.00 42.01 H new ATOM 0 HD3 PRO A 42 -5.800 -1.942 22.290 1.00 42.01 H new ATOM 600 N THR A 43 -6.092 -6.359 21.397 1.00 35.04 N ATOM 601 CA THR A 43 -6.592 -7.660 20.969 1.00 60.44 C ATOM 602 C THR A 43 -6.381 -7.866 19.473 1.00 62.24 C ATOM 603 O THR A 43 -6.466 -6.921 18.689 1.00 33.25 O ATOM 604 CB THR A 43 -8.090 -7.818 21.292 1.00 1.41 C ATOM 605 OG1 THR A 43 -8.835 -6.752 20.693 1.00 31.22 O ATOM 606 CG2 THR A 43 -8.323 -7.825 22.795 1.00 54.25 C ATOM 0 H THR A 43 -6.819 -5.691 21.654 1.00 35.04 H new ATOM 0 HA THR A 43 -6.027 -8.413 21.519 1.00 60.44 H new ATOM 0 HB THR A 43 -8.428 -8.771 20.885 1.00 1.41 H new ATOM 0 HG1 THR A 43 -9.786 -6.860 20.901 1.00 31.22 H new ATOM 0 HG21 THR A 43 -9.388 -7.938 22.998 1.00 54.25 H new ATOM 0 HG22 THR A 43 -7.778 -8.656 23.244 1.00 54.25 H new ATOM 0 HG23 THR A 43 -7.970 -6.887 23.222 1.00 54.25 H new ATOM 614 N GLY A 44 -6.106 -9.106 19.085 1.00 34.35 N ATOM 615 CA GLY A 44 -5.887 -9.415 17.683 1.00 51.25 C ATOM 616 C GLY A 44 -6.785 -8.608 16.767 1.00 42.53 C ATOM 617 O GLY A 44 -7.944 -8.961 16.551 1.00 43.02 O ATOM 0 H GLY A 44 -6.031 -9.904 19.716 1.00 34.35 H new ATOM 0 HA2 GLY A 44 -4.845 -9.221 17.429 1.00 51.25 H new ATOM 0 HA3 GLY A 44 -6.063 -10.478 17.516 1.00 51.25 H new ATOM 621 N THR A 45 -6.249 -7.517 16.225 1.00 35.45 N ATOM 622 CA THR A 45 -7.010 -6.657 15.328 1.00 61.03 C ATOM 623 C THR A 45 -6.088 -5.891 14.388 1.00 13.31 C ATOM 624 O THR A 45 -4.906 -5.704 14.676 1.00 51.41 O ATOM 625 CB THR A 45 -7.874 -5.652 16.113 1.00 60.31 C ATOM 626 OG1 THR A 45 -7.091 -5.027 17.137 1.00 11.32 O ATOM 627 CG2 THR A 45 -9.076 -6.344 16.739 1.00 42.34 C ATOM 0 H THR A 45 -5.291 -7.209 16.392 1.00 35.45 H new ATOM 0 HA THR A 45 -7.662 -7.307 14.744 1.00 61.03 H new ATOM 0 HB THR A 45 -8.233 -4.894 15.417 1.00 60.31 H new ATOM 0 HG1 THR A 45 -7.212 -4.055 17.094 1.00 11.32 H new ATOM 0 HG21 THR A 45 -9.671 -5.614 17.288 1.00 42.34 H new ATOM 0 HG22 THR A 45 -9.686 -6.794 15.955 1.00 42.34 H new ATOM 0 HG23 THR A 45 -8.733 -7.121 17.423 1.00 42.34 H new ATOM 635 N LYS A 46 -6.634 -5.449 13.260 1.00 65.04 N ATOM 636 CA LYS A 46 -5.862 -4.700 12.277 1.00 11.13 C ATOM 637 C LYS A 46 -6.761 -4.180 11.159 1.00 13.10 C ATOM 638 O LYS A 46 -7.555 -4.928 10.590 1.00 3.45 O ATOM 639 CB LYS A 46 -4.757 -5.580 11.689 1.00 0.23 C ATOM 640 CG LYS A 46 -5.247 -6.939 11.218 1.00 65.34 C ATOM 641 CD LYS A 46 -4.247 -7.601 10.286 1.00 33.22 C ATOM 642 CE LYS A 46 -3.072 -8.186 11.056 1.00 72.10 C ATOM 643 NZ LYS A 46 -2.768 -9.580 10.630 1.00 41.03 N ATOM 0 H LYS A 46 -7.610 -5.597 13.004 1.00 65.04 H new ATOM 0 HA LYS A 46 -5.409 -3.846 12.782 1.00 11.13 H new ATOM 0 HB2 LYS A 46 -4.297 -5.058 10.850 1.00 0.23 H new ATOM 0 HB3 LYS A 46 -3.980 -5.724 12.440 1.00 0.23 H new ATOM 0 HG2 LYS A 46 -5.423 -7.582 12.080 1.00 65.34 H new ATOM 0 HG3 LYS A 46 -6.202 -6.825 10.706 1.00 65.34 H new ATOM 0 HD2 LYS A 46 -4.742 -8.390 9.720 1.00 33.22 H new ATOM 0 HD3 LYS A 46 -3.883 -6.871 9.563 1.00 33.22 H new ATOM 0 HE2 LYS A 46 -2.192 -7.560 10.906 1.00 72.10 H new ATOM 0 HE3 LYS A 46 -3.294 -8.173 12.123 1.00 72.10 H new ATOM 0 HZ1 LYS A 46 -1.962 -9.942 11.178 1.00 41.03 H new ATOM 0 HZ2 LYS A 46 -3.599 -10.183 10.797 1.00 41.03 H new ATOM 0 HZ3 LYS A 46 -2.531 -9.590 9.617 1.00 41.03 H new ATOM 657 N VAL A 47 -6.630 -2.894 10.850 1.00 41.20 N ATOM 658 CA VAL A 47 -7.428 -2.275 9.799 1.00 2.34 C ATOM 659 C VAL A 47 -6.800 -2.497 8.428 1.00 3.34 C ATOM 660 O VAL A 47 -5.812 -1.853 8.074 1.00 14.23 O ATOM 661 CB VAL A 47 -7.594 -0.762 10.037 1.00 23.11 C ATOM 662 CG1 VAL A 47 -8.348 -0.120 8.883 1.00 43.43 C ATOM 663 CG2 VAL A 47 -8.304 -0.506 11.357 1.00 51.22 C ATOM 0 H VAL A 47 -5.978 -2.260 11.313 1.00 41.20 H new ATOM 0 HA VAL A 47 -8.409 -2.749 9.827 1.00 2.34 H new ATOM 0 HB VAL A 47 -6.604 -0.309 10.089 1.00 23.11 H new ATOM 0 HG11 VAL A 47 -8.456 0.949 9.069 1.00 43.43 H new ATOM 0 HG12 VAL A 47 -7.795 -0.273 7.957 1.00 43.43 H new ATOM 0 HG13 VAL A 47 -9.335 -0.574 8.796 1.00 43.43 H new ATOM 0 HG21 VAL A 47 -8.413 0.568 11.509 1.00 51.22 H new ATOM 0 HG22 VAL A 47 -9.289 -0.971 11.336 1.00 51.22 H new ATOM 0 HG23 VAL A 47 -7.719 -0.931 12.173 1.00 51.22 H new ATOM 673 N THR A 48 -7.380 -3.413 7.658 1.00 52.43 N ATOM 674 CA THR A 48 -6.877 -3.721 6.326 1.00 54.42 C ATOM 675 C THR A 48 -6.972 -2.508 5.407 1.00 62.11 C ATOM 676 O THR A 48 -6.015 -2.167 4.712 1.00 31.13 O ATOM 677 CB THR A 48 -7.648 -4.892 5.691 1.00 22.24 C ATOM 678 OG1 THR A 48 -8.150 -5.761 6.713 1.00 44.34 O ATOM 679 CG2 THR A 48 -6.755 -5.680 4.744 1.00 51.40 C ATOM 0 H THR A 48 -8.199 -3.954 7.935 1.00 52.43 H new ATOM 0 HA THR A 48 -5.831 -4.004 6.442 1.00 54.42 H new ATOM 0 HB THR A 48 -8.482 -4.481 5.122 1.00 22.24 H new ATOM 0 HG1 THR A 48 -8.874 -6.312 6.348 1.00 44.34 H new ATOM 0 HG21 THR A 48 -7.323 -6.502 4.308 1.00 51.40 H new ATOM 0 HG22 THR A 48 -6.398 -5.024 3.950 1.00 51.40 H new ATOM 0 HG23 THR A 48 -5.903 -6.079 5.295 1.00 51.40 H new ATOM 687 N SER A 49 -8.132 -1.858 5.410 1.00 72.44 N ATOM 688 CA SER A 49 -8.353 -0.684 4.576 1.00 40.31 C ATOM 689 C SER A 49 -9.181 0.362 5.316 1.00 63.40 C ATOM 690 O SER A 49 -9.807 0.067 6.334 1.00 35.34 O ATOM 691 CB SER A 49 -9.055 -1.080 3.276 1.00 31.44 C ATOM 692 OG SER A 49 -8.116 -1.344 2.249 1.00 1.45 O ATOM 0 H SER A 49 -8.933 -2.126 5.982 1.00 72.44 H new ATOM 0 HA SER A 49 -7.381 -0.251 4.339 1.00 40.31 H new ATOM 0 HB2 SER A 49 -9.670 -1.963 3.446 1.00 31.44 H new ATOM 0 HB3 SER A 49 -9.726 -0.280 2.963 1.00 31.44 H new ATOM 0 HG SER A 49 -8.590 -1.597 1.429 1.00 1.45 H new ATOM 698 N ALA A 50 -9.179 1.585 4.798 1.00 4.15 N ATOM 699 CA ALA A 50 -9.932 2.675 5.407 1.00 54.02 C ATOM 700 C ALA A 50 -10.368 3.694 4.360 1.00 33.52 C ATOM 701 O ALA A 50 -9.617 4.010 3.437 1.00 32.44 O ATOM 702 CB ALA A 50 -9.101 3.349 6.488 1.00 74.05 C ATOM 0 H ALA A 50 -8.664 1.847 3.957 1.00 4.15 H new ATOM 0 HA ALA A 50 -10.829 2.255 5.862 1.00 54.02 H new ATOM 0 HB1 ALA A 50 -9.675 4.161 6.935 1.00 74.05 H new ATOM 0 HB2 ALA A 50 -8.844 2.620 7.257 1.00 74.05 H new ATOM 0 HB3 ALA A 50 -8.188 3.749 6.048 1.00 74.05 H new ATOM 708 N TRP A 51 -11.585 4.203 4.509 1.00 42.43 N ATOM 709 CA TRP A 51 -12.122 5.186 3.575 1.00 11.32 C ATOM 710 C TRP A 51 -12.635 6.417 4.314 1.00 25.43 C ATOM 711 O TRP A 51 -13.189 6.308 5.409 1.00 3.42 O ATOM 712 CB TRP A 51 -13.247 4.570 2.743 1.00 31.35 C ATOM 713 CG TRP A 51 -14.278 3.861 3.569 1.00 74.13 C ATOM 714 CD1 TRP A 51 -15.289 4.436 4.285 1.00 25.14 C ATOM 715 CD2 TRP A 51 -14.394 2.448 3.768 1.00 63.33 C ATOM 716 NE1 TRP A 51 -16.028 3.464 4.916 1.00 63.42 N ATOM 717 CE2 TRP A 51 -15.500 2.237 4.614 1.00 31.32 C ATOM 718 CE3 TRP A 51 -13.674 1.341 3.311 1.00 41.35 C ATOM 719 CZ2 TRP A 51 -15.900 0.964 5.013 1.00 14.33 C ATOM 720 CZ3 TRP A 51 -14.071 0.079 3.707 1.00 70.42 C ATOM 721 CH2 TRP A 51 -15.176 -0.102 4.550 1.00 71.22 C ATOM 0 H TRP A 51 -12.219 3.952 5.268 1.00 42.43 H new ATOM 0 HA TRP A 51 -11.316 5.495 2.910 1.00 11.32 H new ATOM 0 HB2 TRP A 51 -13.733 5.356 2.164 1.00 31.35 H new ATOM 0 HB3 TRP A 51 -12.818 3.867 2.029 1.00 31.35 H new ATOM 0 HD1 TRP A 51 -15.480 5.497 4.346 1.00 25.14 H new ATOM 0 HE1 TRP A 51 -16.839 3.630 5.513 1.00 63.42 H new ATOM 0 HE3 TRP A 51 -12.822 1.470 2.660 1.00 41.35 H new ATOM 0 HZ2 TRP A 51 -16.750 0.823 5.664 1.00 14.33 H new ATOM 0 HZ3 TRP A 51 -13.520 -0.783 3.361 1.00 70.42 H new ATOM 0 HH2 TRP A 51 -15.462 -1.102 4.840 1.00 71.22 H new ATOM 732 N ASP A 52 -12.449 7.585 3.711 1.00 4.31 N ATOM 733 CA ASP A 52 -12.895 8.836 4.313 1.00 44.33 C ATOM 734 C ASP A 52 -12.144 9.113 5.611 1.00 61.22 C ATOM 735 O ASP A 52 -12.550 9.959 6.406 1.00 64.15 O ATOM 736 CB ASP A 52 -14.400 8.790 4.580 1.00 50.22 C ATOM 737 CG ASP A 52 -15.065 10.138 4.383 1.00 44.41 C ATOM 738 OD1 ASP A 52 -15.141 10.911 5.361 1.00 21.31 O ATOM 739 OD2 ASP A 52 -15.509 10.422 3.250 1.00 64.11 O ATOM 0 H ASP A 52 -11.992 7.692 2.805 1.00 4.31 H new ATOM 0 HA ASP A 52 -12.683 9.643 3.612 1.00 44.33 H new ATOM 0 HB2 ASP A 52 -14.862 8.060 3.915 1.00 50.22 H new ATOM 0 HB3 ASP A 52 -14.575 8.448 5.600 1.00 50.22 H new ATOM 744 N ALA A 53 -11.047 8.393 5.819 1.00 35.15 N ATOM 745 CA ALA A 53 -10.239 8.561 7.020 1.00 72.32 C ATOM 746 C ALA A 53 -8.948 7.754 6.932 1.00 13.24 C ATOM 747 O ALA A 53 -8.941 6.544 7.162 1.00 70.20 O ATOM 748 CB ALA A 53 -11.033 8.154 8.252 1.00 65.42 C ATOM 0 H ALA A 53 -10.697 7.687 5.171 1.00 35.15 H new ATOM 0 HA ALA A 53 -9.973 9.615 7.103 1.00 72.32 H new ATOM 0 HB1 ALA A 53 -10.417 8.285 9.142 1.00 65.42 H new ATOM 0 HB2 ALA A 53 -11.924 8.777 8.333 1.00 65.42 H new ATOM 0 HB3 ALA A 53 -11.328 7.108 8.166 1.00 65.42 H new ATOM 754 N THR A 54 -7.854 8.431 6.594 1.00 2.42 N ATOM 755 CA THR A 54 -6.558 7.776 6.471 1.00 55.24 C ATOM 756 C THR A 54 -6.135 7.143 7.792 1.00 11.14 C ATOM 757 O THR A 54 -5.574 7.811 8.662 1.00 1.41 O ATOM 758 CB THR A 54 -5.469 8.768 6.019 1.00 22.11 C ATOM 759 OG1 THR A 54 -5.850 9.383 4.784 1.00 10.23 O ATOM 760 CG2 THR A 54 -4.131 8.063 5.849 1.00 23.54 C ATOM 0 H THR A 54 -7.841 9.432 6.401 1.00 2.42 H new ATOM 0 HA THR A 54 -6.667 6.997 5.716 1.00 55.24 H new ATOM 0 HB THR A 54 -5.363 9.533 6.788 1.00 22.11 H new ATOM 0 HG1 THR A 54 -5.154 10.013 4.504 1.00 10.23 H new ATOM 0 HG21 THR A 54 -3.378 8.784 5.530 1.00 23.54 H new ATOM 0 HG22 THR A 54 -3.830 7.620 6.798 1.00 23.54 H new ATOM 0 HG23 THR A 54 -4.225 7.280 5.097 1.00 23.54 H new ATOM 768 N VAL A 55 -6.407 5.850 7.937 1.00 4.35 N ATOM 769 CA VAL A 55 -6.053 5.126 9.152 1.00 12.21 C ATOM 770 C VAL A 55 -4.632 4.581 9.072 1.00 35.15 C ATOM 771 O VAL A 55 -4.231 4.004 8.060 1.00 42.24 O ATOM 772 CB VAL A 55 -7.025 3.959 9.412 1.00 75.03 C ATOM 773 CG1 VAL A 55 -6.600 3.175 10.645 1.00 40.41 C ATOM 774 CG2 VAL A 55 -8.448 4.474 9.563 1.00 50.22 C ATOM 0 H VAL A 55 -6.871 5.282 7.228 1.00 4.35 H new ATOM 0 HA VAL A 55 -6.121 5.836 9.976 1.00 12.21 H new ATOM 0 HB VAL A 55 -6.995 3.287 8.554 1.00 75.03 H new ATOM 0 HG11 VAL A 55 -7.298 2.355 10.813 1.00 40.41 H new ATOM 0 HG12 VAL A 55 -5.598 2.773 10.493 1.00 40.41 H new ATOM 0 HG13 VAL A 55 -6.599 3.834 11.513 1.00 40.41 H new ATOM 0 HG21 VAL A 55 -9.121 3.636 9.746 1.00 50.22 H new ATOM 0 HG22 VAL A 55 -8.497 5.168 10.402 1.00 50.22 H new ATOM 0 HG23 VAL A 55 -8.748 4.987 8.649 1.00 50.22 H new ATOM 784 N THR A 56 -3.871 4.766 10.146 1.00 70.44 N ATOM 785 CA THR A 56 -2.493 4.294 10.199 1.00 62.22 C ATOM 786 C THR A 56 -2.270 3.381 11.399 1.00 24.52 C ATOM 787 O THR A 56 -3.129 3.268 12.273 1.00 11.51 O ATOM 788 CB THR A 56 -1.500 5.469 10.270 1.00 71.33 C ATOM 789 OG1 THR A 56 -0.158 4.984 10.150 1.00 1.22 O ATOM 790 CG2 THR A 56 -1.654 6.229 11.579 1.00 75.04 C ATOM 0 H THR A 56 -4.186 5.240 10.992 1.00 70.44 H new ATOM 0 HA THR A 56 -2.315 3.733 9.282 1.00 62.22 H new ATOM 0 HB THR A 56 -1.716 6.149 9.446 1.00 71.33 H new ATOM 0 HG1 THR A 56 0.467 5.737 10.194 1.00 1.22 H new ATOM 0 HG21 THR A 56 -0.942 7.054 11.606 1.00 75.04 H new ATOM 0 HG22 THR A 56 -2.668 6.622 11.655 1.00 75.04 H new ATOM 0 HG23 THR A 56 -1.462 5.556 12.415 1.00 75.04 H new ATOM 798 N ASN A 57 -1.111 2.731 11.435 1.00 50.11 N ATOM 799 CA ASN A 57 -0.775 1.828 12.529 1.00 22.30 C ATOM 800 C ASN A 57 0.620 2.123 13.070 1.00 44.22 C ATOM 801 O ASN A 57 1.475 2.649 12.356 1.00 74.24 O ATOM 802 CB ASN A 57 -0.855 0.374 12.060 1.00 0.44 C ATOM 803 CG ASN A 57 0.427 -0.092 11.398 1.00 54.32 C ATOM 804 OD1 ASN A 57 0.758 0.334 10.290 1.00 20.35 O ATOM 805 ND2 ASN A 57 1.159 -0.969 12.076 1.00 2.32 N ATOM 0 H ASN A 57 -0.389 2.813 10.719 1.00 50.11 H new ATOM 0 HA ASN A 57 -1.497 1.985 13.331 1.00 22.30 H new ATOM 0 HB2 ASN A 57 -1.074 -0.268 12.913 1.00 0.44 H new ATOM 0 HB3 ASN A 57 -1.683 0.266 11.359 1.00 0.44 H new ATOM 0 HD21 ASN A 57 2.033 -1.316 11.682 1.00 2.32 H new ATOM 0 HD22 ASN A 57 0.847 -1.295 12.991 1.00 2.32 H new ATOM 812 N SER A 58 0.843 1.781 14.335 1.00 53.45 N ATOM 813 CA SER A 58 2.133 2.013 14.973 1.00 52.23 C ATOM 814 C SER A 58 2.305 1.113 16.193 1.00 21.20 C ATOM 815 O SER A 58 2.013 1.513 17.319 1.00 73.22 O ATOM 816 CB SER A 58 2.267 3.480 15.385 1.00 41.44 C ATOM 817 OG SER A 58 3.346 3.661 16.285 1.00 41.45 O ATOM 0 H SER A 58 0.147 1.342 14.938 1.00 53.45 H new ATOM 0 HA SER A 58 2.915 1.773 14.252 1.00 52.23 H new ATOM 0 HB2 SER A 58 2.421 4.097 14.500 1.00 41.44 H new ATOM 0 HB3 SER A 58 1.341 3.816 15.851 1.00 41.44 H new ATOM 0 HG SER A 58 3.411 4.607 16.532 1.00 41.45 H new ATOM 823 N GLY A 59 2.783 -0.106 15.959 1.00 64.42 N ATOM 824 CA GLY A 59 2.985 -1.044 17.048 1.00 14.52 C ATOM 825 C GLY A 59 1.684 -1.631 17.557 1.00 61.44 C ATOM 826 O GLY A 59 1.189 -2.622 17.020 1.00 42.12 O ATOM 0 H GLY A 59 3.034 -0.460 15.036 1.00 64.42 H new ATOM 0 HA2 GLY A 59 3.637 -1.850 16.712 1.00 14.52 H new ATOM 0 HA3 GLY A 59 3.497 -0.540 17.867 1.00 14.52 H new ATOM 830 N ASP A 60 1.129 -1.018 18.598 1.00 34.25 N ATOM 831 CA ASP A 60 -0.123 -1.486 19.181 1.00 20.24 C ATOM 832 C ASP A 60 -1.145 -0.357 19.252 1.00 71.15 C ATOM 833 O ASP A 60 -2.160 -0.466 19.942 1.00 61.14 O ATOM 834 CB ASP A 60 0.122 -2.058 20.579 1.00 12.31 C ATOM 835 CG ASP A 60 -1.009 -2.951 21.046 1.00 72.32 C ATOM 836 OD1 ASP A 60 -1.145 -4.069 20.505 1.00 50.20 O ATOM 837 OD2 ASP A 60 -1.760 -2.533 21.952 1.00 65.52 O ATOM 0 H ASP A 60 1.526 -0.197 19.055 1.00 34.25 H new ATOM 0 HA ASP A 60 -0.521 -2.273 18.540 1.00 20.24 H new ATOM 0 HB2 ASP A 60 1.052 -2.626 20.578 1.00 12.31 H new ATOM 0 HB3 ASP A 60 0.250 -1.239 21.286 1.00 12.31 H new ATOM 842 N HIS A 61 -0.871 0.729 18.536 1.00 11.30 N ATOM 843 CA HIS A 61 -1.766 1.881 18.519 1.00 14.25 C ATOM 844 C HIS A 61 -2.089 2.295 17.087 1.00 41.24 C ATOM 845 O HIS A 61 -1.256 2.166 16.190 1.00 52.02 O ATOM 846 CB HIS A 61 -1.139 3.053 19.273 1.00 14.33 C ATOM 847 CG HIS A 61 -1.906 4.332 19.138 1.00 71.10 C ATOM 848 ND1 HIS A 61 -2.739 4.817 20.124 1.00 50.50 N ATOM 849 CD2 HIS A 61 -1.962 5.228 18.125 1.00 21.15 C ATOM 850 CE1 HIS A 61 -3.275 5.956 19.722 1.00 24.41 C ATOM 851 NE2 HIS A 61 -2.820 6.228 18.512 1.00 35.44 N ATOM 0 H HIS A 61 -0.036 0.835 17.960 1.00 11.30 H new ATOM 0 HA HIS A 61 -2.694 1.597 19.015 1.00 14.25 H new ATOM 0 HB2 HIS A 61 -1.062 2.795 20.329 1.00 14.33 H new ATOM 0 HB3 HIS A 61 -0.124 3.208 18.908 1.00 14.33 H new ATOM 0 HD2 HIS A 61 -1.431 5.168 17.187 1.00 21.15 H new ATOM 0 HE1 HIS A 61 -3.968 6.562 20.287 1.00 24.41 H new ATOM 0 HE2 HIS A 61 -3.066 7.047 17.956 1.00 35.44 H new ATOM 859 N TRP A 62 -3.302 2.794 16.880 1.00 21.11 N ATOM 860 CA TRP A 62 -3.736 3.227 15.556 1.00 53.43 C ATOM 861 C TRP A 62 -4.312 4.638 15.608 1.00 2.44 C ATOM 862 O TRP A 62 -4.640 5.148 16.679 1.00 14.14 O ATOM 863 CB TRP A 62 -4.775 2.258 14.994 1.00 11.15 C ATOM 864 CG TRP A 62 -4.215 0.904 14.675 1.00 41.23 C ATOM 865 CD1 TRP A 62 -3.698 0.001 15.560 1.00 42.31 C ATOM 866 CD2 TRP A 62 -4.112 0.303 13.380 1.00 53.42 C ATOM 867 NE1 TRP A 62 -3.281 -1.125 14.893 1.00 74.02 N ATOM 868 CE2 TRP A 62 -3.524 -0.965 13.555 1.00 21.13 C ATOM 869 CE3 TRP A 62 -4.461 0.711 12.090 1.00 52.12 C ATOM 870 CZ2 TRP A 62 -3.278 -1.825 12.488 1.00 25.32 C ATOM 871 CZ3 TRP A 62 -4.216 -0.143 11.031 1.00 71.11 C ATOM 872 CH2 TRP A 62 -3.630 -1.399 11.236 1.00 33.24 C ATOM 0 H TRP A 62 -4.003 2.909 17.612 1.00 21.11 H new ATOM 0 HA TRP A 62 -2.866 3.234 14.899 1.00 53.43 H new ATOM 0 HB2 TRP A 62 -5.585 2.147 15.715 1.00 11.15 H new ATOM 0 HB3 TRP A 62 -5.209 2.686 14.090 1.00 11.15 H new ATOM 0 HD1 TRP A 62 -3.627 0.150 16.627 1.00 42.31 H new ATOM 0 HE1 TRP A 62 -2.859 -1.947 15.324 1.00 74.02 H new ATOM 0 HE3 TRP A 62 -4.914 1.677 11.923 1.00 52.12 H new ATOM 0 HZ2 TRP A 62 -2.826 -2.793 12.643 1.00 25.32 H new ATOM 0 HZ3 TRP A 62 -4.481 0.163 10.030 1.00 71.11 H new ATOM 0 HH2 TRP A 62 -3.452 -2.044 10.388 1.00 33.24 H new ATOM 883 N THR A 63 -4.436 5.265 14.441 1.00 13.04 N ATOM 884 CA THR A 63 -4.972 6.617 14.353 1.00 42.11 C ATOM 885 C THR A 63 -5.628 6.861 13.000 1.00 1.42 C ATOM 886 O THR A 63 -5.162 6.363 11.975 1.00 44.21 O ATOM 887 CB THR A 63 -3.874 7.673 14.577 1.00 54.21 C ATOM 888 OG1 THR A 63 -3.314 7.528 15.886 1.00 72.42 O ATOM 889 CG2 THR A 63 -4.433 9.078 14.412 1.00 42.31 C ATOM 0 H THR A 63 -4.172 4.857 13.544 1.00 13.04 H new ATOM 0 HA THR A 63 -5.721 6.711 15.139 1.00 42.11 H new ATOM 0 HB THR A 63 -3.095 7.519 13.830 1.00 54.21 H new ATOM 0 HG1 THR A 63 -3.302 8.399 16.335 1.00 72.42 H new ATOM 0 HG21 THR A 63 -3.639 9.807 14.575 1.00 42.31 H new ATOM 0 HG22 THR A 63 -4.832 9.195 13.404 1.00 42.31 H new ATOM 0 HG23 THR A 63 -5.229 9.240 15.138 1.00 42.31 H new ATOM 897 N ALA A 64 -6.711 7.631 13.002 1.00 25.43 N ATOM 898 CA ALA A 64 -7.430 7.944 11.772 1.00 53.11 C ATOM 899 C ALA A 64 -7.511 9.451 11.551 1.00 71.51 C ATOM 900 O ALA A 64 -8.004 10.188 12.406 1.00 32.11 O ATOM 901 CB ALA A 64 -8.825 7.338 11.807 1.00 73.41 C ATOM 0 H ALA A 64 -7.110 8.050 13.842 1.00 25.43 H new ATOM 0 HA ALA A 64 -6.878 7.510 10.938 1.00 53.11 H new ATOM 0 HB1 ALA A 64 -9.350 7.580 10.883 1.00 73.41 H new ATOM 0 HB2 ALA A 64 -8.749 6.255 11.909 1.00 73.41 H new ATOM 0 HB3 ALA A 64 -9.377 7.744 12.655 1.00 73.41 H new ATOM 907 N LYS A 65 -7.024 9.902 10.401 1.00 41.21 N ATOM 908 CA LYS A 65 -7.041 11.321 10.067 1.00 44.01 C ATOM 909 C LYS A 65 -7.451 11.533 8.614 1.00 51.53 C ATOM 910 O LYS A 65 -7.029 10.792 7.726 1.00 42.25 O ATOM 911 CB LYS A 65 -5.664 11.942 10.316 1.00 10.35 C ATOM 912 CG LYS A 65 -4.895 11.281 11.446 1.00 41.15 C ATOM 913 CD LYS A 65 -4.051 10.122 10.944 1.00 62.51 C ATOM 914 CE LYS A 65 -2.607 10.240 11.408 1.00 41.24 C ATOM 915 NZ LYS A 65 -1.651 9.758 10.374 1.00 54.02 N ATOM 0 H LYS A 65 -6.612 9.305 9.684 1.00 41.21 H new ATOM 0 HA LYS A 65 -7.774 11.810 10.708 1.00 44.01 H new ATOM 0 HB2 LYS A 65 -5.075 11.878 9.401 1.00 10.35 H new ATOM 0 HB3 LYS A 65 -5.788 13.001 10.543 1.00 10.35 H new ATOM 0 HG2 LYS A 65 -4.253 12.017 11.929 1.00 41.15 H new ATOM 0 HG3 LYS A 65 -5.594 10.923 12.202 1.00 41.15 H new ATOM 0 HD2 LYS A 65 -4.473 9.182 11.301 1.00 62.51 H new ATOM 0 HD3 LYS A 65 -4.083 10.093 9.855 1.00 62.51 H new ATOM 0 HE2 LYS A 65 -2.387 11.280 11.649 1.00 41.24 H new ATOM 0 HE3 LYS A 65 -2.472 9.665 12.324 1.00 41.24 H new ATOM 0 HZ1 LYS A 65 -0.678 9.855 10.729 1.00 54.02 H new ATOM 0 HZ2 LYS A 65 -1.844 8.758 10.162 1.00 54.02 H new ATOM 0 HZ3 LYS A 65 -1.762 10.323 9.508 1.00 54.02 H new ATOM 929 N ASN A 66 -8.274 12.549 8.377 1.00 65.33 N ATOM 930 CA ASN A 66 -8.741 12.859 7.031 1.00 54.20 C ATOM 931 C ASN A 66 -8.405 14.300 6.656 1.00 33.30 C ATOM 932 O ASN A 66 -8.055 14.590 5.513 1.00 22.04 O ATOM 933 CB ASN A 66 -10.250 12.631 6.926 1.00 55.11 C ATOM 934 CG ASN A 66 -10.661 12.101 5.565 1.00 41.55 C ATOM 935 OD1 ASN A 66 -11.577 12.629 4.933 1.00 52.21 O ATOM 936 ND2 ASN A 66 -9.984 11.055 5.109 1.00 25.33 N ATOM 0 H ASN A 66 -8.632 13.172 9.101 1.00 65.33 H new ATOM 0 HA ASN A 66 -8.231 12.193 6.335 1.00 54.20 H new ATOM 0 HB2 ASN A 66 -10.563 11.927 7.697 1.00 55.11 H new ATOM 0 HB3 ASN A 66 -10.771 13.569 7.120 1.00 55.11 H new ATOM 0 HD21 ASN A 66 -10.215 10.655 4.199 1.00 25.33 H new ATOM 0 HD22 ASN A 66 -9.233 10.651 5.668 1.00 25.33 H new ATOM 943 N VAL A 67 -8.514 15.199 7.630 1.00 31.13 N ATOM 944 CA VAL A 67 -8.220 16.609 7.403 1.00 71.31 C ATOM 945 C VAL A 67 -6.763 16.925 7.724 1.00 23.10 C ATOM 946 O VAL A 67 -6.459 17.951 8.330 1.00 11.11 O ATOM 947 CB VAL A 67 -9.130 17.514 8.255 1.00 44.00 C ATOM 948 CG1 VAL A 67 -10.551 17.507 7.711 1.00 31.42 C ATOM 949 CG2 VAL A 67 -9.105 17.076 9.711 1.00 41.03 C ATOM 0 H VAL A 67 -8.803 14.976 8.582 1.00 31.13 H new ATOM 0 HA VAL A 67 -8.407 16.807 6.348 1.00 71.31 H new ATOM 0 HB VAL A 67 -8.751 18.535 8.201 1.00 44.00 H new ATOM 0 HG11 VAL A 67 -11.179 18.152 8.326 1.00 31.42 H new ATOM 0 HG12 VAL A 67 -10.549 17.874 6.685 1.00 31.42 H new ATOM 0 HG13 VAL A 67 -10.944 16.490 7.733 1.00 31.42 H new ATOM 0 HG21 VAL A 67 -9.753 17.727 10.298 1.00 41.03 H new ATOM 0 HG22 VAL A 67 -9.458 16.047 9.788 1.00 41.03 H new ATOM 0 HG23 VAL A 67 -8.086 17.140 10.093 1.00 41.03 H new ATOM 959 N GLY A 68 -5.866 16.036 7.310 1.00 54.32 N ATOM 960 CA GLY A 68 -4.451 16.239 7.561 1.00 72.01 C ATOM 961 C GLY A 68 -3.828 17.230 6.599 1.00 32.41 C ATOM 962 O GLY A 68 -2.625 17.484 6.652 1.00 55.02 O ATOM 0 H GLY A 68 -6.093 15.179 6.806 1.00 54.32 H new ATOM 0 HA2 GLY A 68 -4.314 16.594 8.583 1.00 72.01 H new ATOM 0 HA3 GLY A 68 -3.931 15.285 7.482 1.00 72.01 H new ATOM 966 N TRP A 69 -4.647 17.789 5.715 1.00 74.44 N ATOM 967 CA TRP A 69 -4.167 18.757 4.736 1.00 2.33 C ATOM 968 C TRP A 69 -4.821 20.118 4.950 1.00 20.23 C ATOM 969 O TRP A 69 -4.201 21.156 4.725 1.00 5.45 O ATOM 970 CB TRP A 69 -4.449 18.260 3.317 1.00 31.34 C ATOM 971 CG TRP A 69 -5.654 17.371 3.228 1.00 41.35 C ATOM 972 CD1 TRP A 69 -5.699 16.027 3.460 1.00 32.35 C ATOM 973 CD2 TRP A 69 -6.986 17.766 2.880 1.00 53.41 C ATOM 974 NE1 TRP A 69 -6.979 15.561 3.278 1.00 11.44 N ATOM 975 CE2 TRP A 69 -7.787 16.608 2.922 1.00 51.45 C ATOM 976 CE3 TRP A 69 -7.579 18.984 2.538 1.00 74.12 C ATOM 977 CZ2 TRP A 69 -9.149 16.636 2.634 1.00 74.25 C ATOM 978 CZ3 TRP A 69 -8.931 19.010 2.253 1.00 31.55 C ATOM 979 CH2 TRP A 69 -9.704 17.842 2.303 1.00 51.12 C ATOM 0 H TRP A 69 -5.645 17.589 5.656 1.00 74.44 H new ATOM 0 HA TRP A 69 -3.091 18.867 4.868 1.00 2.33 H new ATOM 0 HB2 TRP A 69 -4.590 19.118 2.660 1.00 31.34 H new ATOM 0 HB3 TRP A 69 -3.578 17.717 2.950 1.00 31.34 H new ATOM 0 HD1 TRP A 69 -4.853 15.419 3.745 1.00 32.35 H new ATOM 0 HE1 TRP A 69 -7.279 14.592 3.390 1.00 11.44 H new ATOM 0 HE3 TRP A 69 -6.991 19.889 2.497 1.00 74.12 H new ATOM 0 HZ2 TRP A 69 -9.747 15.737 2.671 1.00 74.25 H new ATOM 0 HZ3 TRP A 69 -9.400 19.946 1.987 1.00 31.55 H new ATOM 0 HH2 TRP A 69 -10.759 17.895 2.076 1.00 51.12 H new ATOM 990 N ASN A 70 -6.076 20.105 5.386 1.00 31.25 N ATOM 991 CA ASN A 70 -6.813 21.339 5.631 1.00 43.31 C ATOM 992 C ASN A 70 -7.010 21.569 7.126 1.00 31.11 C ATOM 993 O ASN A 70 -6.396 22.458 7.714 1.00 40.14 O ATOM 994 CB ASN A 70 -8.171 21.294 4.928 1.00 3.45 C ATOM 995 CG ASN A 70 -8.243 22.243 3.747 1.00 40.01 C ATOM 996 OD1 ASN A 70 -9.240 22.940 3.556 1.00 2.32 O ATOM 997 ND2 ASN A 70 -7.183 22.274 2.948 1.00 71.01 N ATOM 0 H ASN A 70 -6.604 19.253 5.577 1.00 31.25 H new ATOM 0 HA ASN A 70 -6.229 22.167 5.228 1.00 43.31 H new ATOM 0 HB2 ASN A 70 -8.367 20.278 4.586 1.00 3.45 H new ATOM 0 HB3 ASN A 70 -8.955 21.547 5.642 1.00 3.45 H new ATOM 0 HD21 ASN A 70 -7.173 22.893 2.137 1.00 71.01 H new ATOM 0 HD22 ASN A 70 -6.378 21.679 3.145 1.00 71.01 H new ATOM 1004 N GLY A 71 -7.870 20.759 7.735 1.00 71.12 N ATOM 1005 CA GLY A 71 -8.132 20.890 9.157 1.00 21.43 C ATOM 1006 C GLY A 71 -9.255 21.863 9.453 1.00 42.21 C ATOM 1007 O GLY A 71 -10.061 21.638 10.356 1.00 74.52 O ATOM 0 H GLY A 71 -8.390 20.015 7.270 1.00 71.12 H new ATOM 0 HA2 GLY A 71 -8.385 19.913 9.568 1.00 21.43 H new ATOM 0 HA3 GLY A 71 -7.225 21.223 9.661 1.00 21.43 H new ATOM 1011 N THR A 72 -9.310 22.951 8.690 1.00 32.12 N ATOM 1012 CA THR A 72 -10.341 23.964 8.876 1.00 74.24 C ATOM 1013 C THR A 72 -11.730 23.336 8.907 1.00 71.43 C ATOM 1014 O THR A 72 -12.204 22.802 7.904 1.00 52.21 O ATOM 1015 CB THR A 72 -10.295 25.024 7.761 1.00 11.42 C ATOM 1016 OG1 THR A 72 -11.482 25.824 7.795 1.00 11.40 O ATOM 1017 CG2 THR A 72 -10.158 24.368 6.395 1.00 20.03 C ATOM 0 H THR A 72 -8.652 23.153 7.937 1.00 32.12 H new ATOM 0 HA THR A 72 -10.141 24.445 9.833 1.00 74.24 H new ATOM 0 HB THR A 72 -9.425 25.659 7.930 1.00 11.42 H new ATOM 0 HG1 THR A 72 -11.444 26.497 7.083 1.00 11.40 H new ATOM 0 HG21 THR A 72 -10.128 25.137 5.623 1.00 20.03 H new ATOM 0 HG22 THR A 72 -9.238 23.785 6.362 1.00 20.03 H new ATOM 0 HG23 THR A 72 -11.010 23.712 6.220 1.00 20.03 H new ATOM 1025 N LEU A 73 -12.379 23.403 10.065 1.00 54.11 N ATOM 1026 CA LEU A 73 -13.715 22.841 10.227 1.00 51.43 C ATOM 1027 C LEU A 73 -14.581 23.742 11.101 1.00 24.03 C ATOM 1028 O LEU A 73 -14.153 24.190 12.164 1.00 42.45 O ATOM 1029 CB LEU A 73 -13.630 21.443 10.841 1.00 43.00 C ATOM 1030 CG LEU A 73 -14.799 20.504 10.535 1.00 74.22 C ATOM 1031 CD1 LEU A 73 -14.694 19.965 9.118 1.00 13.43 C ATOM 1032 CD2 LEU A 73 -14.842 19.363 11.541 1.00 14.01 C ATOM 0 H LEU A 73 -12.001 23.841 10.905 1.00 54.11 H new ATOM 0 HA LEU A 73 -14.176 22.770 9.242 1.00 51.43 H new ATOM 0 HB2 LEU A 73 -12.710 20.971 10.495 1.00 43.00 H new ATOM 0 HB3 LEU A 73 -13.547 21.547 11.923 1.00 43.00 H new ATOM 0 HG LEU A 73 -15.727 21.070 10.617 1.00 74.22 H new ATOM 0 HD11 LEU A 73 -15.534 19.299 8.919 1.00 13.43 H new ATOM 0 HD12 LEU A 73 -14.713 20.794 8.411 1.00 13.43 H new ATOM 0 HD13 LEU A 73 -13.760 19.414 9.007 1.00 13.43 H new ATOM 0 HD21 LEU A 73 -15.679 18.705 11.309 1.00 14.01 H new ATOM 0 HD22 LEU A 73 -13.911 18.798 11.490 1.00 14.01 H new ATOM 0 HD23 LEU A 73 -14.966 19.768 12.545 1.00 14.01 H new ATOM 1044 N ALA A 74 -15.804 24.000 10.647 1.00 72.33 N ATOM 1045 CA ALA A 74 -16.732 24.842 11.390 1.00 4.41 C ATOM 1046 C ALA A 74 -16.890 24.353 12.826 1.00 43.41 C ATOM 1047 O ALA A 74 -16.586 23.206 13.152 1.00 61.32 O ATOM 1048 CB ALA A 74 -18.084 24.881 10.692 1.00 31.41 C ATOM 0 H ALA A 74 -16.174 23.638 9.768 1.00 72.33 H new ATOM 0 HA ALA A 74 -16.322 25.851 11.421 1.00 4.41 H new ATOM 0 HB1 ALA A 74 -18.768 25.514 11.258 1.00 31.41 H new ATOM 0 HB2 ALA A 74 -17.963 25.286 9.687 1.00 31.41 H new ATOM 0 HB3 ALA A 74 -18.491 23.872 10.630 1.00 31.41 H new ATOM 1054 N PRO A 75 -17.373 25.243 13.705 1.00 25.03 N ATOM 1055 CA PRO A 75 -17.582 24.924 15.120 1.00 52.14 C ATOM 1056 C PRO A 75 -18.731 23.944 15.331 1.00 74.40 C ATOM 1057 O PRO A 75 -18.861 23.345 16.398 1.00 70.13 O ATOM 1058 CB PRO A 75 -17.916 26.282 15.745 1.00 4.14 C ATOM 1059 CG PRO A 75 -18.477 27.086 14.623 1.00 52.32 C ATOM 1060 CD PRO A 75 -17.757 26.629 13.385 1.00 55.21 C ATOM 0 HA PRO A 75 -16.711 24.439 15.560 1.00 52.14 H new ATOM 0 HB2 PRO A 75 -18.636 26.178 16.557 1.00 4.14 H new ATOM 0 HB3 PRO A 75 -17.028 26.754 16.165 1.00 4.14 H new ATOM 0 HG2 PRO A 75 -19.552 26.929 14.530 1.00 52.32 H new ATOM 0 HG3 PRO A 75 -18.324 28.152 14.792 1.00 52.32 H new ATOM 0 HD2 PRO A 75 -18.400 26.675 12.506 1.00 55.21 H new ATOM 0 HD3 PRO A 75 -16.886 27.249 13.175 1.00 55.21 H new ATOM 1068 N GLY A 76 -19.562 23.783 14.306 1.00 42.12 N ATOM 1069 CA GLY A 76 -20.689 22.874 14.399 1.00 72.24 C ATOM 1070 C GLY A 76 -20.888 22.066 13.133 1.00 13.30 C ATOM 1071 O GLY A 76 -21.186 22.620 12.076 1.00 4.54 O ATOM 0 H GLY A 76 -19.475 24.266 13.412 1.00 42.12 H new ATOM 0 HA2 GLY A 76 -20.537 22.196 15.239 1.00 72.24 H new ATOM 0 HA3 GLY A 76 -21.595 23.443 14.609 1.00 72.24 H new ATOM 1075 N ALA A 77 -20.722 20.751 13.239 1.00 53.24 N ATOM 1076 CA ALA A 77 -20.886 19.866 12.093 1.00 35.24 C ATOM 1077 C ALA A 77 -20.699 18.406 12.496 1.00 62.13 C ATOM 1078 O ALA A 77 -20.310 18.109 13.625 1.00 41.22 O ATOM 1079 CB ALA A 77 -19.905 20.241 10.992 1.00 21.34 C ATOM 0 H ALA A 77 -20.474 20.276 14.107 1.00 53.24 H new ATOM 0 HA ALA A 77 -21.902 19.985 11.716 1.00 35.24 H new ATOM 0 HB1 ALA A 77 -20.039 19.572 10.142 1.00 21.34 H new ATOM 0 HB2 ALA A 77 -20.087 21.268 10.677 1.00 21.34 H new ATOM 0 HB3 ALA A 77 -18.885 20.152 11.367 1.00 21.34 H new ATOM 1085 N SER A 78 -20.980 17.500 11.565 1.00 23.54 N ATOM 1086 CA SER A 78 -20.847 16.071 11.826 1.00 43.52 C ATOM 1087 C SER A 78 -19.951 15.411 10.783 1.00 32.12 C ATOM 1088 O SER A 78 -20.127 15.608 9.580 1.00 73.31 O ATOM 1089 CB SER A 78 -22.223 15.402 11.829 1.00 74.43 C ATOM 1090 OG SER A 78 -23.260 16.367 11.792 1.00 53.51 O ATOM 0 H SER A 78 -21.301 17.729 10.624 1.00 23.54 H new ATOM 0 HA SER A 78 -20.388 15.946 12.807 1.00 43.52 H new ATOM 0 HB2 SER A 78 -22.310 14.738 10.969 1.00 74.43 H new ATOM 0 HB3 SER A 78 -22.328 14.784 12.721 1.00 74.43 H new ATOM 0 HG SER A 78 -24.129 15.914 11.793 1.00 53.51 H new ATOM 1096 N VAL A 79 -18.988 14.623 11.253 1.00 4.20 N ATOM 1097 CA VAL A 79 -18.064 13.932 10.363 1.00 13.23 C ATOM 1098 C VAL A 79 -17.982 12.447 10.701 1.00 23.21 C ATOM 1099 O VAL A 79 -17.588 12.073 11.805 1.00 31.43 O ATOM 1100 CB VAL A 79 -16.651 14.542 10.435 1.00 23.24 C ATOM 1101 CG1 VAL A 79 -16.158 14.577 11.873 1.00 73.43 C ATOM 1102 CG2 VAL A 79 -15.689 13.764 9.551 1.00 14.13 C ATOM 0 H VAL A 79 -18.828 14.448 12.245 1.00 4.20 H new ATOM 0 HA VAL A 79 -18.452 14.051 9.351 1.00 13.23 H new ATOM 0 HB VAL A 79 -16.697 15.567 10.067 1.00 23.24 H new ATOM 0 HG11 VAL A 79 -15.159 15.011 11.905 1.00 73.43 H new ATOM 0 HG12 VAL A 79 -16.836 15.182 12.475 1.00 73.43 H new ATOM 0 HG13 VAL A 79 -16.126 13.563 12.271 1.00 73.43 H new ATOM 0 HG21 VAL A 79 -14.696 14.209 9.614 1.00 14.13 H new ATOM 0 HG22 VAL A 79 -15.644 12.728 9.886 1.00 14.13 H new ATOM 0 HG23 VAL A 79 -16.036 13.797 8.518 1.00 14.13 H new ATOM 1112 N SER A 80 -18.356 11.605 9.743 1.00 43.32 N ATOM 1113 CA SER A 80 -18.328 10.161 9.940 1.00 63.15 C ATOM 1114 C SER A 80 -17.383 9.495 8.945 1.00 73.13 C ATOM 1115 O SER A 80 -17.347 9.856 7.769 1.00 31.22 O ATOM 1116 CB SER A 80 -19.735 9.579 9.793 1.00 21.35 C ATOM 1117 OG SER A 80 -20.724 10.574 9.991 1.00 54.03 O ATOM 0 H SER A 80 -18.682 11.898 8.822 1.00 43.32 H new ATOM 0 HA SER A 80 -17.964 9.963 10.948 1.00 63.15 H new ATOM 0 HB2 SER A 80 -19.849 9.142 8.801 1.00 21.35 H new ATOM 0 HB3 SER A 80 -19.876 8.774 10.514 1.00 21.35 H new ATOM 0 HG SER A 80 -21.614 10.176 9.890 1.00 54.03 H new ATOM 1123 N PHE A 81 -16.618 8.521 9.427 1.00 63.11 N ATOM 1124 CA PHE A 81 -15.671 7.803 8.581 1.00 62.24 C ATOM 1125 C PHE A 81 -15.697 6.308 8.882 1.00 64.44 C ATOM 1126 O PHE A 81 -15.724 5.898 10.041 1.00 71.42 O ATOM 1127 CB PHE A 81 -14.257 8.353 8.785 1.00 35.44 C ATOM 1128 CG PHE A 81 -13.682 8.039 10.137 1.00 10.51 C ATOM 1129 CD1 PHE A 81 -13.015 6.845 10.361 1.00 23.23 C ATOM 1130 CD2 PHE A 81 -13.806 8.938 11.182 1.00 62.34 C ATOM 1131 CE1 PHE A 81 -12.486 6.554 11.604 1.00 33.03 C ATOM 1132 CE2 PHE A 81 -13.279 8.654 12.428 1.00 34.32 C ATOM 1133 CZ PHE A 81 -12.616 7.460 12.638 1.00 32.03 C ATOM 0 H PHE A 81 -16.635 8.211 10.399 1.00 63.11 H new ATOM 0 HA PHE A 81 -15.965 7.950 7.542 1.00 62.24 H new ATOM 0 HB2 PHE A 81 -13.602 7.944 8.016 1.00 35.44 H new ATOM 0 HB3 PHE A 81 -14.273 9.434 8.648 1.00 35.44 H new ATOM 0 HD1 PHE A 81 -12.907 6.134 9.555 1.00 23.23 H new ATOM 0 HD2 PHE A 81 -14.321 9.874 11.022 1.00 62.34 H new ATOM 0 HE1 PHE A 81 -11.971 5.619 11.767 1.00 33.03 H new ATOM 0 HE2 PHE A 81 -13.385 9.364 13.235 1.00 34.32 H new ATOM 0 HZ PHE A 81 -12.200 7.236 13.609 1.00 32.03 H new ATOM 1143 N GLY A 82 -15.689 5.498 7.828 1.00 31.23 N ATOM 1144 CA GLY A 82 -15.713 4.057 7.999 1.00 71.24 C ATOM 1145 C GLY A 82 -14.421 3.399 7.558 1.00 41.03 C ATOM 1146 O GLY A 82 -13.483 4.077 7.137 1.00 31.21 O ATOM 0 H GLY A 82 -15.666 5.814 6.858 1.00 31.23 H new ATOM 0 HA2 GLY A 82 -15.898 3.822 9.047 1.00 71.24 H new ATOM 0 HA3 GLY A 82 -16.543 3.640 7.428 1.00 71.24 H new ATOM 1150 N PHE A 83 -14.370 2.075 7.655 1.00 53.04 N ATOM 1151 CA PHE A 83 -13.181 1.325 7.265 1.00 21.32 C ATOM 1152 C PHE A 83 -13.435 -0.177 7.347 1.00 30.24 C ATOM 1153 O PHE A 83 -14.501 -0.615 7.779 1.00 2.31 O ATOM 1154 CB PHE A 83 -11.998 1.703 8.157 1.00 44.32 C ATOM 1155 CG PHE A 83 -12.028 1.042 9.505 1.00 74.10 C ATOM 1156 CD1 PHE A 83 -11.428 -0.192 9.700 1.00 62.12 C ATOM 1157 CD2 PHE A 83 -12.656 1.654 10.578 1.00 23.25 C ATOM 1158 CE1 PHE A 83 -11.453 -0.803 10.940 1.00 10.43 C ATOM 1159 CE2 PHE A 83 -12.685 1.048 11.820 1.00 0.51 C ATOM 1160 CZ PHE A 83 -12.084 -0.182 12.000 1.00 15.01 C ATOM 0 H PHE A 83 -15.138 1.499 8.000 1.00 53.04 H new ATOM 0 HA PHE A 83 -12.944 1.580 6.232 1.00 21.32 H new ATOM 0 HB2 PHE A 83 -11.071 1.435 7.650 1.00 44.32 H new ATOM 0 HB3 PHE A 83 -11.986 2.785 8.292 1.00 44.32 H new ATOM 0 HD1 PHE A 83 -10.935 -0.682 8.873 1.00 62.12 H new ATOM 0 HD2 PHE A 83 -13.128 2.616 10.442 1.00 23.25 H new ATOM 0 HE1 PHE A 83 -10.980 -1.764 11.079 1.00 10.43 H new ATOM 0 HE2 PHE A 83 -13.177 1.536 12.648 1.00 0.51 H new ATOM 0 HZ PHE A 83 -12.107 -0.658 12.969 1.00 15.01 H new ATOM 1170 N ASN A 84 -12.447 -0.963 6.929 1.00 45.44 N ATOM 1171 CA ASN A 84 -12.562 -2.415 6.954 1.00 25.23 C ATOM 1172 C ASN A 84 -11.401 -3.040 7.721 1.00 24.03 C ATOM 1173 O ASN A 84 -10.236 -2.768 7.434 1.00 30.14 O ATOM 1174 CB ASN A 84 -12.604 -2.970 5.528 1.00 40.14 C ATOM 1175 CG ASN A 84 -12.247 -4.442 5.469 1.00 65.43 C ATOM 1176 OD1 ASN A 84 -11.467 -4.870 4.620 1.00 52.50 O ATOM 1177 ND2 ASN A 84 -12.820 -5.226 6.375 1.00 25.42 N ATOM 0 H ASN A 84 -11.558 -0.617 6.569 1.00 45.44 H new ATOM 0 HA ASN A 84 -13.491 -2.672 7.464 1.00 25.23 H new ATOM 0 HB2 ASN A 84 -13.602 -2.824 5.114 1.00 40.14 H new ATOM 0 HB3 ASN A 84 -11.913 -2.406 4.901 1.00 40.14 H new ATOM 0 HD21 ASN A 84 -12.619 -6.226 6.385 1.00 25.42 H new ATOM 0 HD22 ASN A 84 -13.461 -4.828 7.061 1.00 25.42 H new ATOM 1184 N GLY A 85 -11.728 -3.881 8.698 1.00 3.21 N ATOM 1185 CA GLY A 85 -10.702 -4.532 9.491 1.00 50.02 C ATOM 1186 C GLY A 85 -10.910 -6.030 9.592 1.00 62.15 C ATOM 1187 O GLY A 85 -12.025 -6.522 9.414 1.00 71.34 O ATOM 0 H GLY A 85 -12.685 -4.123 8.954 1.00 3.21 H new ATOM 0 HA2 GLY A 85 -9.725 -4.333 9.050 1.00 50.02 H new ATOM 0 HA3 GLY A 85 -10.693 -4.101 10.492 1.00 50.02 H new ATOM 1191 N SER A 86 -9.836 -6.758 9.876 1.00 75.12 N ATOM 1192 CA SER A 86 -9.904 -8.209 9.995 1.00 64.50 C ATOM 1193 C SER A 86 -9.762 -8.643 11.451 1.00 73.03 C ATOM 1194 O SER A 86 -8.686 -8.541 12.039 1.00 32.13 O ATOM 1195 CB SER A 86 -8.812 -8.864 9.148 1.00 20.21 C ATOM 1196 OG SER A 86 -8.766 -8.298 7.849 1.00 30.52 O ATOM 0 H SER A 86 -8.907 -6.366 10.028 1.00 75.12 H new ATOM 0 HA SER A 86 -10.879 -8.532 9.631 1.00 64.50 H new ATOM 0 HB2 SER A 86 -7.845 -8.741 9.636 1.00 20.21 H new ATOM 0 HB3 SER A 86 -8.998 -9.936 9.075 1.00 20.21 H new ATOM 0 HG SER A 86 -8.421 -7.382 7.903 1.00 30.52 H new ATOM 1202 N GLY A 87 -10.857 -9.127 12.028 1.00 64.32 N ATOM 1203 CA GLY A 87 -10.835 -9.568 13.411 1.00 1.31 C ATOM 1204 C GLY A 87 -12.219 -9.612 14.028 1.00 52.41 C ATOM 1205 O GLY A 87 -13.231 -9.681 13.331 1.00 2.20 O ATOM 0 H GLY A 87 -11.760 -9.222 11.563 1.00 64.32 H new ATOM 0 HA2 GLY A 87 -10.385 -10.559 13.466 1.00 1.31 H new ATOM 0 HA3 GLY A 87 -10.202 -8.898 13.993 1.00 1.31 H new ATOM 1209 N PRO A 88 -12.275 -9.571 15.368 1.00 24.43 N ATOM 1210 CA PRO A 88 -13.539 -9.607 16.109 1.00 4.52 C ATOM 1211 C PRO A 88 -14.346 -8.325 15.940 1.00 5.54 C ATOM 1212 O PRO A 88 -15.576 -8.354 15.893 1.00 11.45 O ATOM 1213 CB PRO A 88 -13.094 -9.770 17.563 1.00 73.35 C ATOM 1214 CG PRO A 88 -11.719 -9.197 17.605 1.00 4.22 C ATOM 1215 CD PRO A 88 -11.109 -9.489 16.262 1.00 50.15 C ATOM 0 HA PRO A 88 -14.194 -10.404 15.758 1.00 4.52 H new ATOM 0 HB2 PRO A 88 -13.763 -9.243 18.243 1.00 73.35 H new ATOM 0 HB3 PRO A 88 -13.095 -10.818 17.862 1.00 73.35 H new ATOM 0 HG2 PRO A 88 -11.749 -8.124 17.795 1.00 4.22 H new ATOM 0 HG3 PRO A 88 -11.133 -9.647 18.406 1.00 4.22 H new ATOM 0 HD2 PRO A 88 -10.421 -8.702 15.954 1.00 50.15 H new ATOM 0 HD3 PRO A 88 -10.544 -10.421 16.272 1.00 50.15 H new ATOM 1223 N GLY A 89 -13.646 -7.198 15.847 1.00 4.02 N ATOM 1224 CA GLY A 89 -14.315 -5.921 15.682 1.00 40.03 C ATOM 1225 C GLY A 89 -14.683 -5.284 17.009 1.00 1.42 C ATOM 1226 O GLY A 89 -15.636 -4.508 17.089 1.00 10.02 O ATOM 0 H GLY A 89 -12.628 -7.147 15.883 1.00 4.02 H new ATOM 0 HA2 GLY A 89 -13.667 -5.244 15.125 1.00 40.03 H new ATOM 0 HA3 GLY A 89 -15.217 -6.061 15.087 1.00 40.03 H new ATOM 1230 N SER A 90 -13.928 -5.614 18.051 1.00 22.34 N ATOM 1231 CA SER A 90 -14.183 -5.075 19.381 1.00 44.45 C ATOM 1232 C SER A 90 -13.058 -4.137 19.812 1.00 25.54 C ATOM 1233 O SER A 90 -12.201 -4.488 20.622 1.00 34.42 O ATOM 1234 CB SER A 90 -14.335 -6.210 20.395 1.00 53.14 C ATOM 1235 OG SER A 90 -15.455 -7.021 20.090 1.00 52.23 O ATOM 0 H SER A 90 -13.134 -6.252 18.000 1.00 22.34 H new ATOM 0 HA SER A 90 -15.112 -4.506 19.344 1.00 44.45 H new ATOM 0 HB2 SER A 90 -13.432 -6.820 20.401 1.00 53.14 H new ATOM 0 HB3 SER A 90 -14.445 -5.794 21.397 1.00 53.14 H new ATOM 0 HG SER A 90 -15.528 -7.740 20.752 1.00 52.23 H new ATOM 1241 N PRO A 91 -13.062 -2.916 19.259 1.00 1.14 N ATOM 1242 CA PRO A 91 -12.049 -1.903 19.570 1.00 40.10 C ATOM 1243 C PRO A 91 -12.185 -1.366 20.990 1.00 71.33 C ATOM 1244 O PRO A 91 -13.238 -1.496 21.616 1.00 54.51 O ATOM 1245 CB PRO A 91 -12.330 -0.796 18.551 1.00 2.13 C ATOM 1246 CG PRO A 91 -13.770 -0.955 18.205 1.00 35.40 C ATOM 1247 CD PRO A 91 -14.055 -2.430 18.285 1.00 54.14 C ATOM 0 HA PRO A 91 -11.038 -2.306 19.514 1.00 40.10 H new ATOM 0 HB2 PRO A 91 -12.131 0.189 18.972 1.00 2.13 H new ATOM 0 HB3 PRO A 91 -11.697 -0.900 17.669 1.00 2.13 H new ATOM 0 HG2 PRO A 91 -14.401 -0.397 18.897 1.00 35.40 H new ATOM 0 HG3 PRO A 91 -13.976 -0.571 17.206 1.00 35.40 H new ATOM 0 HD2 PRO A 91 -15.074 -2.625 18.619 1.00 54.14 H new ATOM 0 HD3 PRO A 91 -13.938 -2.915 17.316 1.00 54.14 H new ATOM 1255 N SER A 92 -11.113 -0.763 21.495 1.00 23.02 N ATOM 1256 CA SER A 92 -11.112 -0.208 22.843 1.00 73.41 C ATOM 1257 C SER A 92 -10.201 1.013 22.928 1.00 23.43 C ATOM 1258 O SER A 92 -9.505 1.349 21.972 1.00 64.13 O ATOM 1259 CB SER A 92 -10.659 -1.267 23.852 1.00 73.24 C ATOM 1260 OG SER A 92 -11.259 -2.521 23.578 1.00 61.53 O ATOM 0 H SER A 92 -10.234 -0.647 20.990 1.00 23.02 H new ATOM 0 HA SER A 92 -12.129 0.102 23.082 1.00 73.41 H new ATOM 0 HB2 SER A 92 -9.574 -1.364 23.819 1.00 73.24 H new ATOM 0 HB3 SER A 92 -10.920 -0.948 24.861 1.00 73.24 H new ATOM 0 HG SER A 92 -10.953 -3.181 24.235 1.00 61.53 H new ATOM 1266 N ASN A 93 -10.214 1.674 24.082 1.00 24.33 N ATOM 1267 CA ASN A 93 -9.391 2.859 24.292 1.00 64.20 C ATOM 1268 C ASN A 93 -9.602 3.874 23.173 1.00 53.04 C ATOM 1269 O ASN A 93 -8.680 4.177 22.414 1.00 60.32 O ATOM 1270 CB ASN A 93 -7.913 2.471 24.373 1.00 63.12 C ATOM 1271 CG ASN A 93 -7.547 1.864 25.713 1.00 32.31 C ATOM 1272 OD1 ASN A 93 -7.044 2.551 26.602 1.00 14.24 O ATOM 1273 ND2 ASN A 93 -7.799 0.568 25.864 1.00 31.10 N ATOM 0 H ASN A 93 -10.785 1.409 24.885 1.00 24.33 H new ATOM 0 HA ASN A 93 -9.692 3.317 25.234 1.00 64.20 H new ATOM 0 HB2 ASN A 93 -7.683 1.759 23.580 1.00 63.12 H new ATOM 0 HB3 ASN A 93 -7.298 3.354 24.197 1.00 63.12 H new ATOM 0 HD21 ASN A 93 -7.574 0.104 26.744 1.00 31.10 H new ATOM 0 HD22 ASN A 93 -8.217 0.037 25.100 1.00 31.10 H new ATOM 1280 N CYS A 94 -10.820 4.395 23.077 1.00 11.11 N ATOM 1281 CA CYS A 94 -11.153 5.376 22.050 1.00 13.52 C ATOM 1282 C CYS A 94 -10.816 6.788 22.517 1.00 75.33 C ATOM 1283 O CYS A 94 -11.189 7.196 23.618 1.00 13.32 O ATOM 1284 CB CYS A 94 -12.636 5.286 21.690 1.00 35.14 C ATOM 1285 SG CYS A 94 -13.209 6.597 20.585 1.00 52.04 S ATOM 0 H CYS A 94 -11.593 4.155 23.697 1.00 11.11 H new ATOM 0 HA CYS A 94 -10.558 5.154 21.164 1.00 13.52 H new ATOM 0 HB2 CYS A 94 -12.827 4.321 21.221 1.00 35.14 H new ATOM 0 HB3 CYS A 94 -13.224 5.316 22.607 1.00 35.14 H new ATOM 0 HG CYS A 94 -13.563 6.080 19.446 1.00 52.04 H new ATOM 1291 N LYS A 95 -10.105 7.531 21.676 1.00 13.42 N ATOM 1292 CA LYS A 95 -9.716 8.898 22.001 1.00 23.01 C ATOM 1293 C LYS A 95 -9.557 9.735 20.736 1.00 24.13 C ATOM 1294 O LYS A 95 -9.103 9.239 19.704 1.00 73.14 O ATOM 1295 CB LYS A 95 -8.408 8.903 22.796 1.00 23.24 C ATOM 1296 CG LYS A 95 -7.237 8.293 22.043 1.00 65.11 C ATOM 1297 CD LYS A 95 -7.116 6.803 22.315 1.00 54.30 C ATOM 1298 CE LYS A 95 -6.232 6.527 23.522 1.00 60.31 C ATOM 1299 NZ LYS A 95 -4.786 6.562 23.171 1.00 54.24 N ATOM 0 H LYS A 95 -9.786 7.209 20.762 1.00 13.42 H new ATOM 0 HA LYS A 95 -10.506 9.338 22.609 1.00 23.01 H new ATOM 0 HB2 LYS A 95 -8.161 9.930 23.066 1.00 23.24 H new ATOM 0 HB3 LYS A 95 -8.556 8.355 23.727 1.00 23.24 H new ATOM 0 HG2 LYS A 95 -7.364 8.460 20.973 1.00 65.11 H new ATOM 0 HG3 LYS A 95 -6.314 8.794 22.336 1.00 65.11 H new ATOM 0 HD2 LYS A 95 -8.107 6.381 22.484 1.00 54.30 H new ATOM 0 HD3 LYS A 95 -6.703 6.304 21.438 1.00 54.30 H new ATOM 0 HE2 LYS A 95 -6.435 7.266 24.297 1.00 60.31 H new ATOM 0 HE3 LYS A 95 -6.481 5.551 23.939 1.00 60.31 H new ATOM 0 HZ1 LYS A 95 -4.245 6.956 23.967 1.00 54.24 H new ATOM 0 HZ2 LYS A 95 -4.454 5.597 22.970 1.00 54.24 H new ATOM 0 HZ3 LYS A 95 -4.647 7.158 22.330 1.00 54.24 H new ATOM 1313 N LEU A 96 -9.934 11.006 20.822 1.00 11.11 N ATOM 1314 CA LEU A 96 -9.832 11.913 19.683 1.00 22.41 C ATOM 1315 C LEU A 96 -9.543 13.337 20.146 1.00 61.00 C ATOM 1316 O LEU A 96 -9.837 13.702 21.284 1.00 42.30 O ATOM 1317 CB LEU A 96 -11.124 11.883 18.865 1.00 32.25 C ATOM 1318 CG LEU A 96 -12.346 12.534 19.514 1.00 72.24 C ATOM 1319 CD1 LEU A 96 -12.822 13.718 18.688 1.00 50.30 C ATOM 1320 CD2 LEU A 96 -13.464 11.517 19.687 1.00 14.14 C ATOM 0 H LEU A 96 -10.313 11.432 21.668 1.00 11.11 H new ATOM 0 HA LEU A 96 -9.005 11.579 19.057 1.00 22.41 H new ATOM 0 HB2 LEU A 96 -10.938 12.377 17.911 1.00 32.25 H new ATOM 0 HB3 LEU A 96 -11.366 10.844 18.644 1.00 32.25 H new ATOM 0 HG LEU A 96 -12.059 12.898 20.500 1.00 72.24 H new ATOM 0 HD11 LEU A 96 -13.692 14.168 19.165 1.00 50.30 H new ATOM 0 HD12 LEU A 96 -12.024 14.457 18.618 1.00 50.30 H new ATOM 0 HD13 LEU A 96 -13.092 13.379 17.688 1.00 50.30 H new ATOM 0 HD21 LEU A 96 -14.325 11.998 20.150 1.00 14.14 H new ATOM 0 HD22 LEU A 96 -13.750 11.121 18.712 1.00 14.14 H new ATOM 0 HD23 LEU A 96 -13.119 10.701 20.322 1.00 14.14 H new ATOM 1332 N ASN A 97 -8.967 14.137 19.256 1.00 51.33 N ATOM 1333 CA ASN A 97 -8.639 15.523 19.572 1.00 42.22 C ATOM 1334 C ASN A 97 -7.536 15.595 20.624 1.00 22.25 C ATOM 1335 O ASN A 97 -7.581 16.427 21.530 1.00 32.13 O ATOM 1336 CB ASN A 97 -9.883 16.262 20.070 1.00 45.12 C ATOM 1337 CG ASN A 97 -9.880 17.727 19.681 1.00 51.43 C ATOM 1338 OD1 ASN A 97 -9.533 18.593 20.484 1.00 64.04 O ATOM 1339 ND2 ASN A 97 -10.267 18.012 18.444 1.00 2.23 N ATOM 0 H ASN A 97 -8.717 13.850 18.310 1.00 51.33 H new ATOM 0 HA ASN A 97 -8.280 16.002 18.661 1.00 42.22 H new ATOM 0 HB2 ASN A 97 -10.774 15.783 19.664 1.00 45.12 H new ATOM 0 HB3 ASN A 97 -9.942 16.177 21.155 1.00 45.12 H new ATOM 0 HD21 ASN A 97 -10.285 18.981 18.126 1.00 2.23 H new ATOM 0 HD22 ASN A 97 -10.546 17.262 17.812 1.00 2.23 H new ATOM 1346 N GLY A 98 -6.545 14.717 20.495 1.00 63.03 N ATOM 1347 CA GLY A 98 -5.445 14.698 21.441 1.00 12.44 C ATOM 1348 C GLY A 98 -5.858 14.174 22.802 1.00 14.20 C ATOM 1349 O GLY A 98 -5.461 14.718 23.831 1.00 21.42 O ATOM 0 H GLY A 98 -6.485 14.020 19.753 1.00 63.03 H new ATOM 0 HA2 GLY A 98 -4.641 14.078 21.045 1.00 12.44 H new ATOM 0 HA3 GLY A 98 -5.046 15.707 21.549 1.00 12.44 H new ATOM 1353 N GLY A 99 -6.659 13.113 22.807 1.00 24.43 N ATOM 1354 CA GLY A 99 -7.116 12.533 24.057 1.00 50.15 C ATOM 1355 C GLY A 99 -8.408 13.157 24.548 1.00 13.44 C ATOM 1356 O GLY A 99 -8.411 13.905 25.526 1.00 0.14 O ATOM 0 H GLY A 99 -7.000 12.644 21.968 1.00 24.43 H new ATOM 0 HA2 GLY A 99 -7.261 11.461 23.925 1.00 50.15 H new ATOM 0 HA3 GLY A 99 -6.344 12.659 24.816 1.00 50.15 H new ATOM 1360 N SER A 100 -9.506 12.850 23.867 1.00 63.44 N ATOM 1361 CA SER A 100 -10.810 13.389 24.236 1.00 63.42 C ATOM 1362 C SER A 100 -11.934 12.494 23.723 1.00 63.31 C ATOM 1363 O SER A 100 -11.886 12.006 22.594 1.00 2.33 O ATOM 1364 CB SER A 100 -10.976 14.805 23.680 1.00 54.32 C ATOM 1365 OG SER A 100 -11.815 15.585 24.514 1.00 64.42 O ATOM 0 H SER A 100 -9.519 12.231 23.057 1.00 63.44 H new ATOM 0 HA SER A 100 -10.866 13.424 25.324 1.00 63.42 H new ATOM 0 HB2 SER A 100 -10.000 15.282 23.593 1.00 54.32 H new ATOM 0 HB3 SER A 100 -11.398 14.758 22.676 1.00 54.32 H new ATOM 0 HG SER A 100 -11.904 16.486 24.138 1.00 64.42 H new ATOM 1371 N CYS A 101 -12.944 12.284 24.560 1.00 42.35 N ATOM 1372 CA CYS A 101 -14.080 11.447 24.193 1.00 4.25 C ATOM 1373 C CYS A 101 -15.142 11.461 25.288 1.00 1.54 C ATOM 1374 O CYS A 101 -14.842 11.240 26.460 1.00 60.01 O ATOM 1375 CB CYS A 101 -13.620 10.013 23.930 1.00 61.22 C ATOM 1376 SG CYS A 101 -12.761 9.246 25.325 1.00 11.21 S ATOM 0 H CYS A 101 -12.999 12.682 25.498 1.00 42.35 H new ATOM 0 HA CYS A 101 -14.519 11.853 23.281 1.00 4.25 H new ATOM 0 HB2 CYS A 101 -14.488 9.406 23.673 1.00 61.22 H new ATOM 0 HB3 CYS A 101 -12.959 10.008 23.063 1.00 61.22 H new ATOM 0 HG CYS A 101 -12.004 8.282 24.892 1.00 11.21 H new