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 94 CYS SG : rot 34:sc= 0.782 USER MOD Set 1.2: A 101 CYS SG : rot -135:sc= 0.74 USER MOD Set 2.1: A 11 THR OG1 : rot 62:sc= 1.4 USER MOD Set 2.2: A 21 SER OG : rot -77:sc= 1.09 USER MOD Single : A 5 THR OG1 : rot -7:sc= 0.731 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -152:sc=-0.00689 (180deg=-0.492) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 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= -1.45 X(o=-1.4,f=-1.4) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0984 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 150:sc= -0.281 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 -102:sc= 0.179 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 58 SER OG : rot 180:sc=-0.000977 USER MOD Single : A 61 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-2.1) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.826 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 70 ASN : amide:sc= -2.18 K(o=-2.2,f=-3.4!) 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 41:sc= 0.00394 USER MOD Single : A 84 ASN : amide:sc= -1.96 K(o=-2,f=-4.6!) 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 180:sc= -0.0263 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0208) 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 ----------------------------------------------------------------- ATOM 46 N THR A 5 -17.169 14.673 20.743 1.00 40.11 N ATOM 47 CA THR A 5 -17.188 13.281 21.176 1.00 15.10 C ATOM 48 C THR A 5 -17.367 12.340 19.991 1.00 32.35 C ATOM 49 O THR A 5 -17.697 12.771 18.887 1.00 0.53 O ATOM 50 CB THR A 5 -18.313 13.026 22.195 1.00 62.43 C ATOM 51 OG1 THR A 5 -19.303 14.056 22.101 1.00 51.31 O ATOM 52 CG2 THR A 5 -17.759 12.977 23.612 1.00 34.24 C ATOM 0 HA THR A 5 -16.227 13.084 21.651 1.00 15.10 H new ATOM 0 HB THR A 5 -18.769 12.063 21.966 1.00 62.43 H new ATOM 0 HG1 THR A 5 -18.991 14.755 21.489 1.00 51.31 H new ATOM 0 HG21 THR A 5 -18.572 12.796 24.315 1.00 34.24 H new ATOM 0 HG22 THR A 5 -17.027 12.173 23.689 1.00 34.24 H new ATOM 0 HG23 THR A 5 -17.280 13.927 23.849 1.00 34.24 H new ATOM 60 N ALA A 6 -17.150 11.050 20.228 1.00 12.13 N ATOM 61 CA ALA A 6 -17.291 10.046 19.180 1.00 43.31 C ATOM 62 C ALA A 6 -17.962 8.785 19.715 1.00 54.20 C ATOM 63 O ALA A 6 -17.870 8.476 20.903 1.00 62.12 O ATOM 64 CB ALA A 6 -15.933 9.711 18.584 1.00 54.53 C ATOM 0 H ALA A 6 -16.876 10.676 21.136 1.00 12.13 H new ATOM 0 HA ALA A 6 -17.926 10.460 18.397 1.00 43.31 H new ATOM 0 HB1 ALA A 6 -16.054 8.960 17.803 1.00 54.53 H new ATOM 0 HB2 ALA A 6 -15.491 10.611 18.157 1.00 54.53 H new ATOM 0 HB3 ALA A 6 -15.279 9.321 19.364 1.00 54.53 H new ATOM 70 N THR A 7 -18.637 8.059 18.830 1.00 4.24 N ATOM 71 CA THR A 7 -19.324 6.832 19.213 1.00 24.21 C ATOM 72 C THR A 7 -19.070 5.720 18.201 1.00 73.55 C ATOM 73 O THR A 7 -19.383 5.859 17.019 1.00 74.13 O ATOM 74 CB THR A 7 -20.844 7.056 19.340 1.00 74.03 C ATOM 75 OG1 THR A 7 -21.102 8.314 19.974 1.00 13.50 O ATOM 76 CG2 THR A 7 -21.489 5.936 20.143 1.00 44.03 C ATOM 0 H THR A 7 -18.723 8.300 17.842 1.00 4.24 H new ATOM 0 HA THR A 7 -18.924 6.536 20.183 1.00 24.21 H new ATOM 0 HB THR A 7 -21.275 7.059 18.339 1.00 74.03 H new ATOM 0 HG1 THR A 7 -22.070 8.450 20.050 1.00 13.50 H new ATOM 0 HG21 THR A 7 -22.562 6.115 20.220 1.00 44.03 H new ATOM 0 HG22 THR A 7 -21.315 4.983 19.643 1.00 44.03 H new ATOM 0 HG23 THR A 7 -21.053 5.907 21.142 1.00 44.03 H new ATOM 84 N PHE A 8 -18.500 4.617 18.674 1.00 21.52 N ATOM 85 CA PHE A 8 -18.203 3.479 17.810 1.00 74.03 C ATOM 86 C PHE A 8 -19.488 2.848 17.281 1.00 55.11 C ATOM 87 O PHE A 8 -20.508 2.824 17.968 1.00 51.21 O ATOM 88 CB PHE A 8 -17.383 2.434 18.571 1.00 42.34 C ATOM 89 CG PHE A 8 -17.152 1.172 17.792 1.00 20.04 C ATOM 90 CD1 PHE A 8 -16.534 1.209 16.553 1.00 4.10 C ATOM 91 CD2 PHE A 8 -17.552 -0.054 18.300 1.00 72.12 C ATOM 92 CE1 PHE A 8 -16.321 0.049 15.834 1.00 31.25 C ATOM 93 CE2 PHE A 8 -17.341 -1.218 17.587 1.00 2.44 C ATOM 94 CZ PHE A 8 -16.724 -1.168 16.352 1.00 51.54 C ATOM 0 H PHE A 8 -18.234 4.486 19.650 1.00 21.52 H new ATOM 0 HA PHE A 8 -17.621 3.840 16.962 1.00 74.03 H new ATOM 0 HB2 PHE A 8 -16.420 2.866 18.842 1.00 42.34 H new ATOM 0 HB3 PHE A 8 -17.895 2.189 19.501 1.00 42.34 H new ATOM 0 HD1 PHE A 8 -16.215 2.156 16.144 1.00 4.10 H new ATOM 0 HD2 PHE A 8 -18.035 -0.100 19.265 1.00 72.12 H new ATOM 0 HE1 PHE A 8 -15.840 0.093 14.868 1.00 31.25 H new ATOM 0 HE2 PHE A 8 -17.658 -2.166 17.995 1.00 2.44 H new ATOM 0 HZ PHE A 8 -16.557 -2.077 15.793 1.00 51.54 H new ATOM 104 N ALA A 9 -19.427 2.337 16.056 1.00 42.13 N ATOM 105 CA ALA A 9 -20.584 1.705 15.435 1.00 34.25 C ATOM 106 C ALA A 9 -20.160 0.551 14.532 1.00 70.15 C ATOM 107 O ALA A 9 -19.005 0.471 14.109 1.00 65.50 O ATOM 108 CB ALA A 9 -21.385 2.728 14.644 1.00 50.23 C ATOM 0 H ALA A 9 -18.589 2.348 15.474 1.00 42.13 H new ATOM 0 HA ALA A 9 -21.214 1.301 16.227 1.00 34.25 H new ATOM 0 HB1 ALA A 9 -22.246 2.241 14.186 1.00 50.23 H new ATOM 0 HB2 ALA A 9 -21.728 3.518 15.313 1.00 50.23 H new ATOM 0 HB3 ALA A 9 -20.756 3.160 13.866 1.00 50.23 H new ATOM 114 N LYS A 10 -21.099 -0.342 14.239 1.00 72.53 N ATOM 115 CA LYS A 10 -20.824 -1.491 13.387 1.00 12.15 C ATOM 116 C LYS A 10 -21.411 -1.288 11.993 1.00 74.33 C ATOM 117 O LYS A 10 -22.502 -0.737 11.842 1.00 12.33 O ATOM 118 CB LYS A 10 -21.396 -2.765 14.012 1.00 4.13 C ATOM 119 CG LYS A 10 -20.344 -3.661 14.641 1.00 50.53 C ATOM 120 CD LYS A 10 -19.396 -4.227 13.596 1.00 74.43 C ATOM 121 CE LYS A 10 -20.119 -5.160 12.637 1.00 55.43 C ATOM 122 NZ LYS A 10 -20.818 -6.261 13.355 1.00 13.25 N ATOM 0 H LYS A 10 -22.059 -0.291 14.580 1.00 72.53 H new ATOM 0 HA LYS A 10 -19.743 -1.593 13.296 1.00 12.15 H new ATOM 0 HB2 LYS A 10 -22.128 -2.490 14.772 1.00 4.13 H new ATOM 0 HB3 LYS A 10 -21.929 -3.328 13.245 1.00 4.13 H new ATOM 0 HG2 LYS A 10 -19.777 -3.094 15.379 1.00 50.53 H new ATOM 0 HG3 LYS A 10 -20.831 -4.479 15.172 1.00 50.53 H new ATOM 0 HD2 LYS A 10 -18.940 -3.410 13.037 1.00 74.43 H new ATOM 0 HD3 LYS A 10 -18.588 -4.766 14.090 1.00 74.43 H new ATOM 0 HE2 LYS A 10 -20.842 -4.591 12.053 1.00 55.43 H new ATOM 0 HE3 LYS A 10 -19.403 -5.583 11.933 1.00 55.43 H new ATOM 0 HZ1 LYS A 10 -20.883 -7.093 12.735 1.00 13.25 H new ATOM 0 HZ2 LYS A 10 -20.285 -6.509 14.213 1.00 13.25 H new ATOM 0 HZ3 LYS A 10 -21.775 -5.951 13.619 1.00 13.25 H new ATOM 136 N THR A 11 -20.680 -1.738 10.977 1.00 64.32 N ATOM 137 CA THR A 11 -21.129 -1.606 9.597 1.00 54.42 C ATOM 138 C THR A 11 -21.558 -2.952 9.026 1.00 32.31 C ATOM 139 O THR A 11 -22.722 -3.145 8.672 1.00 72.14 O ATOM 140 CB THR A 11 -20.024 -1.011 8.702 1.00 60.11 C ATOM 141 OG1 THR A 11 -19.179 -0.151 9.473 1.00 73.04 O ATOM 142 CG2 THR A 11 -20.628 -0.231 7.544 1.00 15.45 C ATOM 0 H THR A 11 -19.775 -2.197 11.085 1.00 64.32 H new ATOM 0 HA THR A 11 -21.984 -0.930 9.607 1.00 54.42 H new ATOM 0 HB THR A 11 -19.433 -1.833 8.298 1.00 60.11 H new ATOM 0 HG1 THR A 11 -18.745 -0.669 10.182 1.00 73.04 H new ATOM 0 HG21 THR A 11 -19.829 0.180 6.926 1.00 15.45 H new ATOM 0 HG22 THR A 11 -21.248 -0.895 6.942 1.00 15.45 H new ATOM 0 HG23 THR A 11 -21.240 0.582 7.933 1.00 15.45 H new ATOM 150 N SER A 12 -20.613 -3.882 8.941 1.00 35.11 N ATOM 151 CA SER A 12 -20.894 -5.212 8.411 1.00 40.23 C ATOM 152 C SER A 12 -19.666 -6.111 8.520 1.00 61.35 C ATOM 153 O SER A 12 -18.551 -5.700 8.203 1.00 43.51 O ATOM 154 CB SER A 12 -21.342 -5.117 6.951 1.00 23.20 C ATOM 155 OG SER A 12 -20.345 -4.507 6.150 1.00 55.13 O ATOM 0 H SER A 12 -19.646 -3.740 9.232 1.00 35.11 H new ATOM 0 HA SER A 12 -21.697 -5.650 9.003 1.00 40.23 H new ATOM 0 HB2 SER A 12 -21.560 -6.114 6.569 1.00 23.20 H new ATOM 0 HB3 SER A 12 -22.266 -4.542 6.888 1.00 23.20 H new ATOM 0 HG SER A 12 -20.655 -4.460 5.222 1.00 55.13 H new ATOM 161 N ASP A 13 -19.882 -7.341 8.974 1.00 35.41 N ATOM 162 CA ASP A 13 -18.794 -8.301 9.126 1.00 51.42 C ATOM 163 C ASP A 13 -19.032 -9.534 8.261 1.00 3.25 C ATOM 164 O ASP A 13 -20.090 -10.162 8.335 1.00 55.54 O ATOM 165 CB ASP A 13 -18.649 -8.712 10.592 1.00 3.03 C ATOM 166 CG ASP A 13 -19.898 -9.381 11.132 1.00 33.04 C ATOM 167 OD1 ASP A 13 -20.947 -8.709 11.207 1.00 3.43 O ATOM 168 OD2 ASP A 13 -19.825 -10.579 11.477 1.00 61.53 O ATOM 0 H ASP A 13 -20.799 -7.697 9.243 1.00 35.41 H new ATOM 0 HA ASP A 13 -17.872 -7.822 8.798 1.00 51.42 H new ATOM 0 HB2 ASP A 13 -17.803 -9.392 10.694 1.00 3.03 H new ATOM 0 HB3 ASP A 13 -18.424 -7.831 11.193 1.00 3.03 H new ATOM 173 N TRP A 14 -18.045 -9.874 7.439 1.00 73.42 N ATOM 174 CA TRP A 14 -18.149 -11.031 6.559 1.00 35.54 C ATOM 175 C TRP A 14 -17.181 -12.131 6.987 1.00 63.15 C ATOM 176 O TRP A 14 -15.999 -12.096 6.648 1.00 73.21 O ATOM 177 CB TRP A 14 -17.868 -10.624 5.112 1.00 3.32 C ATOM 178 CG TRP A 14 -16.619 -9.811 4.956 1.00 3.10 C ATOM 179 CD1 TRP A 14 -15.402 -10.253 4.522 1.00 13.30 C ATOM 180 CD2 TRP A 14 -16.464 -8.415 5.234 1.00 24.24 C ATOM 181 NE1 TRP A 14 -14.500 -9.216 4.514 1.00 43.32 N ATOM 182 CE2 TRP A 14 -15.128 -8.078 4.944 1.00 71.43 C ATOM 183 CE3 TRP A 14 -17.326 -7.416 5.696 1.00 62.51 C ATOM 184 CZ2 TRP A 14 -14.635 -6.786 5.106 1.00 64.13 C ATOM 185 CZ3 TRP A 14 -16.835 -6.134 5.855 1.00 22.31 C ATOM 186 CH2 TRP A 14 -15.501 -5.828 5.561 1.00 11.31 C ATOM 0 H TRP A 14 -17.164 -9.365 7.364 1.00 73.42 H new ATOM 0 HA TRP A 14 -19.165 -11.419 6.630 1.00 35.54 H new ATOM 0 HB2 TRP A 14 -17.788 -11.521 4.499 1.00 3.32 H new ATOM 0 HB3 TRP A 14 -18.715 -10.053 4.732 1.00 3.32 H new ATOM 0 HD1 TRP A 14 -15.181 -11.268 4.228 1.00 13.30 H new ATOM 0 HE1 TRP A 14 -13.522 -9.283 4.233 1.00 43.32 H new ATOM 0 HE3 TRP A 14 -18.357 -7.642 5.925 1.00 62.51 H new ATOM 0 HZ2 TRP A 14 -13.606 -6.548 4.881 1.00 64.13 H new ATOM 0 HZ3 TRP A 14 -17.492 -5.355 6.212 1.00 22.31 H new ATOM 0 HH2 TRP A 14 -15.148 -4.816 5.696 1.00 11.31 H new ATOM 197 N GLY A 15 -17.692 -13.105 7.734 1.00 1.12 N ATOM 198 CA GLY A 15 -16.859 -14.199 8.197 1.00 14.45 C ATOM 199 C GLY A 15 -15.904 -13.777 9.296 1.00 21.43 C ATOM 200 O GLY A 15 -16.253 -13.807 10.477 1.00 42.35 O ATOM 0 H GLY A 15 -18.668 -13.156 8.027 1.00 1.12 H new ATOM 0 HA2 GLY A 15 -17.494 -15.006 8.562 1.00 14.45 H new ATOM 0 HA3 GLY A 15 -16.289 -14.597 7.358 1.00 14.45 H new ATOM 204 N THR A 16 -14.694 -13.385 8.909 1.00 21.42 N ATOM 205 CA THR A 16 -13.686 -12.959 9.871 1.00 51.33 C ATOM 206 C THR A 16 -13.465 -11.453 9.804 1.00 52.55 C ATOM 207 O THR A 16 -12.912 -10.854 10.726 1.00 23.22 O ATOM 208 CB THR A 16 -12.343 -13.674 9.631 1.00 15.24 C ATOM 209 OG1 THR A 16 -11.409 -13.318 10.657 1.00 15.05 O ATOM 210 CG2 THR A 16 -11.771 -13.310 8.270 1.00 5.54 C ATOM 0 H THR A 16 -14.389 -13.354 7.936 1.00 21.42 H new ATOM 0 HA THR A 16 -14.060 -13.226 10.860 1.00 51.33 H new ATOM 0 HB THR A 16 -12.520 -14.749 9.657 1.00 15.24 H new ATOM 0 HG1 THR A 16 -10.558 -13.778 10.499 1.00 15.05 H new ATOM 0 HG21 THR A 16 -10.823 -13.827 8.124 1.00 5.54 H new ATOM 0 HG22 THR A 16 -12.471 -13.608 7.490 1.00 5.54 H new ATOM 0 HG23 THR A 16 -11.609 -12.233 8.220 1.00 5.54 H new ATOM 218 N GLY A 17 -13.902 -10.843 8.706 1.00 3.23 N ATOM 219 CA GLY A 17 -13.743 -9.410 8.539 1.00 62.22 C ATOM 220 C GLY A 17 -14.879 -8.624 9.165 1.00 75.41 C ATOM 221 O GLY A 17 -16.012 -9.102 9.231 1.00 10.51 O ATOM 0 H GLY A 17 -14.363 -11.316 7.929 1.00 3.23 H new ATOM 0 HA2 GLY A 17 -12.799 -9.098 8.986 1.00 62.22 H new ATOM 0 HA3 GLY A 17 -13.685 -9.175 7.476 1.00 62.22 H new ATOM 225 N PHE A 18 -14.575 -7.416 9.630 1.00 14.33 N ATOM 226 CA PHE A 18 -15.578 -6.564 10.257 1.00 15.21 C ATOM 227 C PHE A 18 -15.481 -5.134 9.733 1.00 54.24 C ATOM 228 O PHE A 18 -14.407 -4.674 9.349 1.00 41.31 O ATOM 229 CB PHE A 18 -15.408 -6.574 11.778 1.00 22.44 C ATOM 230 CG PHE A 18 -14.271 -5.721 12.261 1.00 2.51 C ATOM 231 CD1 PHE A 18 -14.466 -4.378 12.541 1.00 3.42 C ATOM 232 CD2 PHE A 18 -13.007 -6.261 12.434 1.00 30.20 C ATOM 233 CE1 PHE A 18 -13.422 -3.590 12.984 1.00 12.33 C ATOM 234 CE2 PHE A 18 -11.958 -5.478 12.879 1.00 2.31 C ATOM 235 CZ PHE A 18 -12.166 -4.140 13.154 1.00 35.33 C ATOM 0 H PHE A 18 -13.642 -7.006 9.584 1.00 14.33 H new ATOM 0 HA PHE A 18 -16.562 -6.959 10.006 1.00 15.21 H new ATOM 0 HB2 PHE A 18 -16.332 -6.229 12.241 1.00 22.44 H new ATOM 0 HB3 PHE A 18 -15.249 -7.600 12.111 1.00 22.44 H new ATOM 0 HD1 PHE A 18 -15.446 -3.942 12.411 1.00 3.42 H new ATOM 0 HD2 PHE A 18 -12.839 -7.306 12.219 1.00 30.20 H new ATOM 0 HE1 PHE A 18 -13.587 -2.544 13.197 1.00 12.33 H new ATOM 0 HE2 PHE A 18 -10.978 -5.911 13.011 1.00 2.31 H new ATOM 0 HZ PHE A 18 -11.349 -3.525 13.501 1.00 35.33 H new ATOM 245 N GLY A 19 -16.613 -4.436 9.721 1.00 15.20 N ATOM 246 CA GLY A 19 -16.634 -3.067 9.242 1.00 22.20 C ATOM 247 C GLY A 19 -16.846 -2.065 10.360 1.00 55.41 C ATOM 248 O GLY A 19 -17.910 -2.024 10.974 1.00 5.40 O ATOM 0 H GLY A 19 -17.515 -4.795 10.034 1.00 15.20 H new ATOM 0 HA2 GLY A 19 -15.694 -2.848 8.735 1.00 22.20 H new ATOM 0 HA3 GLY A 19 -17.428 -2.956 8.503 1.00 22.20 H new ATOM 252 N GLY A 20 -15.825 -1.254 10.626 1.00 11.32 N ATOM 253 CA GLY A 20 -15.923 -0.260 11.679 1.00 2.13 C ATOM 254 C GLY A 20 -16.570 1.026 11.203 1.00 13.23 C ATOM 255 O GLY A 20 -16.416 1.415 10.045 1.00 62.54 O ATOM 0 H GLY A 20 -14.933 -1.268 10.131 1.00 11.32 H new ATOM 0 HA2 GLY A 20 -16.501 -0.669 12.508 1.00 2.13 H new ATOM 0 HA3 GLY A 20 -14.926 -0.042 12.062 1.00 2.13 H new ATOM 259 N SER A 21 -17.297 1.687 12.098 1.00 71.42 N ATOM 260 CA SER A 21 -17.974 2.934 11.763 1.00 1.43 C ATOM 261 C SER A 21 -17.866 3.936 12.907 1.00 41.15 C ATOM 262 O SER A 21 -18.648 3.898 13.857 1.00 40.11 O ATOM 263 CB SER A 21 -19.446 2.668 11.440 1.00 3.10 C ATOM 264 OG SER A 21 -19.764 1.297 11.603 1.00 65.44 O ATOM 0 H SER A 21 -17.432 1.379 13.061 1.00 71.42 H new ATOM 0 HA SER A 21 -17.487 3.359 10.885 1.00 1.43 H new ATOM 0 HB2 SER A 21 -20.079 3.271 12.091 1.00 3.10 H new ATOM 0 HB3 SER A 21 -19.658 2.974 10.416 1.00 3.10 H new ATOM 0 HG SER A 21 -19.429 0.790 10.835 1.00 65.44 H new ATOM 270 N TRP A 22 -16.891 4.833 12.810 1.00 12.13 N ATOM 271 CA TRP A 22 -16.679 5.847 13.836 1.00 74.33 C ATOM 272 C TRP A 22 -17.475 7.110 13.527 1.00 33.44 C ATOM 273 O TRP A 22 -17.338 7.695 12.453 1.00 63.22 O ATOM 274 CB TRP A 22 -15.191 6.182 13.951 1.00 50.14 C ATOM 275 CG TRP A 22 -14.370 5.061 14.512 1.00 63.55 C ATOM 276 CD1 TRP A 22 -13.623 4.160 13.810 1.00 5.22 C ATOM 277 CD2 TRP A 22 -14.215 4.721 15.895 1.00 24.00 C ATOM 278 NE1 TRP A 22 -13.013 3.280 14.671 1.00 44.22 N ATOM 279 CE2 TRP A 22 -13.360 3.604 15.956 1.00 14.15 C ATOM 280 CE3 TRP A 22 -14.714 5.253 17.087 1.00 2.10 C ATOM 281 CZ2 TRP A 22 -12.996 3.011 17.161 1.00 75.12 C ATOM 282 CZ3 TRP A 22 -14.352 4.664 18.283 1.00 11.45 C ATOM 283 CH2 TRP A 22 -13.499 3.552 18.314 1.00 1.34 C ATOM 0 H TRP A 22 -16.235 4.878 12.031 1.00 12.13 H new ATOM 0 HA TRP A 22 -17.028 5.444 14.787 1.00 74.33 H new ATOM 0 HB2 TRP A 22 -14.808 6.445 12.965 1.00 50.14 H new ATOM 0 HB3 TRP A 22 -15.072 7.062 14.584 1.00 50.14 H new ATOM 0 HD1 TRP A 22 -13.526 4.141 12.735 1.00 5.22 H new ATOM 0 HE1 TRP A 22 -12.401 2.511 14.398 1.00 44.22 H new ATOM 0 HE3 TRP A 22 -15.371 6.110 17.073 1.00 2.10 H new ATOM 0 HZ2 TRP A 22 -12.340 2.154 17.186 1.00 75.12 H new ATOM 0 HZ3 TRP A 22 -14.733 5.067 19.210 1.00 11.45 H new ATOM 0 HH2 TRP A 22 -13.234 3.114 19.265 1.00 1.34 H new ATOM 294 N THR A 23 -18.309 7.525 14.476 1.00 64.43 N ATOM 295 CA THR A 23 -19.128 8.718 14.305 1.00 3.34 C ATOM 296 C THR A 23 -18.539 9.903 15.060 1.00 15.20 C ATOM 297 O THR A 23 -18.683 10.010 16.278 1.00 52.30 O ATOM 298 CB THR A 23 -20.572 8.482 14.787 1.00 73.24 C ATOM 299 OG1 THR A 23 -21.135 7.352 14.113 1.00 62.30 O ATOM 300 CG2 THR A 23 -21.434 9.711 14.536 1.00 74.52 C ATOM 0 H THR A 23 -18.435 7.052 15.371 1.00 64.43 H new ATOM 0 HA THR A 23 -19.141 8.942 13.238 1.00 3.34 H new ATOM 0 HB THR A 23 -20.547 8.289 15.859 1.00 73.24 H new ATOM 0 HG1 THR A 23 -22.052 7.208 14.426 1.00 62.30 H new ATOM 0 HG21 THR A 23 -22.449 9.521 14.884 1.00 74.52 H new ATOM 0 HG22 THR A 23 -21.019 10.563 15.075 1.00 74.52 H new ATOM 0 HG23 THR A 23 -21.452 9.931 13.469 1.00 74.52 H new ATOM 308 N VAL A 24 -17.875 10.794 14.330 1.00 13.32 N ATOM 309 CA VAL A 24 -17.264 11.973 14.932 1.00 23.15 C ATOM 310 C VAL A 24 -18.177 13.188 14.807 1.00 52.52 C ATOM 311 O VAL A 24 -18.701 13.477 13.732 1.00 4.13 O ATOM 312 CB VAL A 24 -15.906 12.297 14.280 1.00 23.42 C ATOM 313 CG1 VAL A 24 -15.194 13.399 15.049 1.00 22.32 C ATOM 314 CG2 VAL A 24 -15.043 11.047 14.202 1.00 30.13 C ATOM 0 H VAL A 24 -17.747 10.721 13.321 1.00 13.32 H new ATOM 0 HA VAL A 24 -17.107 11.745 15.986 1.00 23.15 H new ATOM 0 HB VAL A 24 -16.084 12.653 13.265 1.00 23.42 H new ATOM 0 HG11 VAL A 24 -14.237 13.614 14.574 1.00 22.32 H new ATOM 0 HG12 VAL A 24 -15.809 14.299 15.049 1.00 22.32 H new ATOM 0 HG13 VAL A 24 -15.025 13.075 16.076 1.00 22.32 H new ATOM 0 HG21 VAL A 24 -14.087 11.293 13.739 1.00 30.13 H new ATOM 0 HG22 VAL A 24 -14.871 10.661 15.207 1.00 30.13 H new ATOM 0 HG23 VAL A 24 -15.552 10.290 13.604 1.00 30.13 H new ATOM 324 N LYS A 25 -18.363 13.898 15.915 1.00 33.23 N ATOM 325 CA LYS A 25 -19.211 15.083 15.932 1.00 32.21 C ATOM 326 C LYS A 25 -18.615 16.165 16.827 1.00 4.21 C ATOM 327 O LYS A 25 -18.285 15.913 17.985 1.00 41.24 O ATOM 328 CB LYS A 25 -20.617 14.723 16.416 1.00 74.53 C ATOM 329 CG LYS A 25 -21.508 15.930 16.651 1.00 42.14 C ATOM 330 CD LYS A 25 -22.863 15.761 15.986 1.00 62.02 C ATOM 331 CE LYS A 25 -23.893 15.201 16.955 1.00 60.13 C ATOM 332 NZ LYS A 25 -25.284 15.550 16.550 1.00 34.22 N ATOM 0 H LYS A 25 -17.937 13.672 16.814 1.00 33.23 H new ATOM 0 HA LYS A 25 -19.272 15.470 14.915 1.00 32.21 H new ATOM 0 HB2 LYS A 25 -21.089 14.071 15.681 1.00 74.53 H new ATOM 0 HB3 LYS A 25 -20.538 14.154 17.343 1.00 74.53 H new ATOM 0 HG2 LYS A 25 -21.644 16.080 17.722 1.00 42.14 H new ATOM 0 HG3 LYS A 25 -21.020 16.824 16.263 1.00 42.14 H new ATOM 0 HD2 LYS A 25 -23.205 16.723 15.605 1.00 62.02 H new ATOM 0 HD3 LYS A 25 -22.768 15.095 15.129 1.00 62.02 H new ATOM 0 HE2 LYS A 25 -23.791 14.117 17.007 1.00 60.13 H new ATOM 0 HE3 LYS A 25 -23.698 15.588 17.955 1.00 60.13 H new ATOM 0 HZ1 LYS A 25 -25.956 15.150 17.236 1.00 34.22 H new ATOM 0 HZ2 LYS A 25 -25.389 16.584 16.525 1.00 34.22 H new ATOM 0 HZ3 LYS A 25 -25.479 15.159 15.606 1.00 34.22 H new ATOM 346 N ASN A 26 -18.482 17.370 16.282 1.00 62.04 N ATOM 347 CA ASN A 26 -17.927 18.491 17.032 1.00 65.21 C ATOM 348 C ASN A 26 -18.942 19.626 17.144 1.00 73.02 C ATOM 349 O ASN A 26 -19.556 20.026 16.154 1.00 75.43 O ATOM 350 CB ASN A 26 -16.650 18.998 16.361 1.00 13.21 C ATOM 351 CG ASN A 26 -15.805 17.871 15.800 1.00 51.23 C ATOM 352 OD1 ASN A 26 -15.053 17.222 16.527 1.00 53.43 O ATOM 353 ND2 ASN A 26 -15.925 17.633 14.499 1.00 63.22 N ATOM 0 H ASN A 26 -18.751 17.595 15.324 1.00 62.04 H new ATOM 0 HA ASN A 26 -17.687 18.141 18.036 1.00 65.21 H new ATOM 0 HB2 ASN A 26 -16.914 19.686 15.557 1.00 13.21 H new ATOM 0 HB3 ASN A 26 -16.063 19.563 17.084 1.00 13.21 H new ATOM 0 HD21 ASN A 26 -15.381 16.887 14.065 1.00 63.22 H new ATOM 0 HD22 ASN A 26 -16.561 18.196 13.934 1.00 63.22 H new ATOM 360 N THR A 27 -19.112 20.142 18.357 1.00 62.30 N ATOM 361 CA THR A 27 -20.051 21.230 18.600 1.00 43.31 C ATOM 362 C THR A 27 -19.925 21.759 20.025 1.00 33.34 C ATOM 363 O THR A 27 -19.946 20.990 20.985 1.00 62.14 O ATOM 364 CB THR A 27 -21.505 20.782 18.358 1.00 14.13 C ATOM 365 OG1 THR A 27 -21.566 19.355 18.244 1.00 53.42 O ATOM 366 CG2 THR A 27 -22.064 21.420 17.095 1.00 43.12 C ATOM 0 H THR A 27 -18.611 19.824 19.187 1.00 62.30 H new ATOM 0 HA THR A 27 -19.801 22.025 17.897 1.00 43.31 H new ATOM 0 HB THR A 27 -22.107 21.104 19.207 1.00 14.13 H new ATOM 0 HG1 THR A 27 -22.494 19.078 18.092 1.00 53.42 H new ATOM 0 HG21 THR A 27 -23.092 21.089 16.944 1.00 43.12 H new ATOM 0 HG22 THR A 27 -22.043 22.505 17.196 1.00 43.12 H new ATOM 0 HG23 THR A 27 -21.458 21.123 16.239 1.00 43.12 H new ATOM 374 N GLY A 28 -19.795 23.075 20.154 1.00 50.00 N ATOM 375 CA GLY A 28 -19.668 23.683 21.465 1.00 33.32 C ATOM 376 C GLY A 28 -18.474 24.612 21.560 1.00 71.54 C ATOM 377 O GLY A 28 -18.592 25.743 22.035 1.00 32.34 O ATOM 0 H GLY A 28 -19.775 23.731 19.374 1.00 50.00 H new ATOM 0 HA2 GLY A 28 -20.577 24.240 21.693 1.00 33.32 H new ATOM 0 HA3 GLY A 28 -19.576 22.900 22.218 1.00 33.32 H new ATOM 381 N THR A 29 -17.317 24.136 21.109 1.00 64.10 N ATOM 382 CA THR A 29 -16.096 24.930 21.147 1.00 63.23 C ATOM 383 C THR A 29 -16.017 25.876 19.955 1.00 50.00 C ATOM 384 O THR A 29 -16.882 25.860 19.078 1.00 41.33 O ATOM 385 CB THR A 29 -14.843 24.034 21.162 1.00 52.10 C ATOM 386 OG1 THR A 29 -15.204 22.683 20.855 1.00 43.52 O ATOM 387 CG2 THR A 29 -14.158 24.085 22.519 1.00 33.32 C ATOM 0 H THR A 29 -17.201 23.203 20.713 1.00 64.10 H new ATOM 0 HA THR A 29 -16.127 25.513 22.067 1.00 63.23 H new ATOM 0 HB THR A 29 -14.149 24.405 20.408 1.00 52.10 H new ATOM 0 HG1 THR A 29 -14.402 22.120 20.865 1.00 43.52 H new ATOM 0 HG21 THR A 29 -13.276 23.445 22.506 1.00 33.32 H new ATOM 0 HG22 THR A 29 -13.859 25.110 22.737 1.00 33.32 H new ATOM 0 HG23 THR A 29 -14.848 23.737 23.288 1.00 33.32 H new ATOM 395 N THR A 30 -14.974 26.699 19.926 1.00 74.11 N ATOM 396 CA THR A 30 -14.782 27.652 18.840 1.00 12.23 C ATOM 397 C THR A 30 -14.587 26.937 17.508 1.00 22.24 C ATOM 398 O THR A 30 -14.709 25.714 17.426 1.00 41.21 O ATOM 399 CB THR A 30 -13.569 28.564 19.102 1.00 13.50 C ATOM 400 OG1 THR A 30 -13.044 28.319 20.411 1.00 13.43 O ATOM 401 CG2 THR A 30 -13.955 30.030 18.971 1.00 32.24 C ATOM 0 H THR A 30 -14.249 26.725 20.643 1.00 74.11 H new ATOM 0 HA THR A 30 -15.684 28.263 18.792 1.00 12.23 H new ATOM 0 HB THR A 30 -12.806 28.338 18.357 1.00 13.50 H new ATOM 0 HG1 THR A 30 -12.272 28.902 20.568 1.00 13.43 H new ATOM 0 HG21 THR A 30 -13.082 30.654 19.160 1.00 32.24 H new ATOM 0 HG22 THR A 30 -14.325 30.220 17.964 1.00 32.24 H new ATOM 0 HG23 THR A 30 -14.735 30.267 19.695 1.00 32.24 H new ATOM 409 N SER A 31 -14.284 27.705 16.467 1.00 75.02 N ATOM 410 CA SER A 31 -14.075 27.144 15.138 1.00 42.30 C ATOM 411 C SER A 31 -13.072 25.996 15.183 1.00 64.20 C ATOM 412 O SER A 31 -11.953 26.152 15.674 1.00 43.31 O ATOM 413 CB SER A 31 -13.584 28.228 14.175 1.00 23.35 C ATOM 414 OG SER A 31 -13.590 27.760 12.837 1.00 42.43 O ATOM 0 H SER A 31 -14.178 28.718 16.518 1.00 75.02 H new ATOM 0 HA SER A 31 -15.029 26.755 14.781 1.00 42.30 H new ATOM 0 HB2 SER A 31 -14.220 29.109 14.259 1.00 23.35 H new ATOM 0 HB3 SER A 31 -12.576 28.536 14.452 1.00 23.35 H new ATOM 0 HG SER A 31 -13.274 28.470 12.241 1.00 42.43 H new ATOM 420 N LEU A 32 -13.480 24.841 14.669 1.00 2.21 N ATOM 421 CA LEU A 32 -12.618 23.665 14.650 1.00 71.50 C ATOM 422 C LEU A 32 -11.671 23.702 13.456 1.00 51.41 C ATOM 423 O LEU A 32 -11.632 24.683 12.713 1.00 54.50 O ATOM 424 CB LEU A 32 -13.463 22.390 14.606 1.00 72.13 C ATOM 425 CG LEU A 32 -13.255 21.407 15.759 1.00 61.32 C ATOM 426 CD1 LEU A 32 -14.157 21.760 16.931 1.00 3.13 C ATOM 427 CD2 LEU A 32 -13.512 19.980 15.296 1.00 25.42 C ATOM 0 H LEU A 32 -14.403 24.694 14.260 1.00 2.21 H new ATOM 0 HA LEU A 32 -12.022 23.668 15.562 1.00 71.50 H new ATOM 0 HB2 LEU A 32 -14.515 22.676 14.584 1.00 72.13 H new ATOM 0 HB3 LEU A 32 -13.254 21.871 13.670 1.00 72.13 H new ATOM 0 HG LEU A 32 -12.219 21.479 16.090 1.00 61.32 H new ATOM 0 HD11 LEU A 32 -13.995 21.050 17.742 1.00 3.13 H new ATOM 0 HD12 LEU A 32 -13.925 22.767 17.279 1.00 3.13 H new ATOM 0 HD13 LEU A 32 -15.199 21.717 16.614 1.00 3.13 H new ATOM 0 HD21 LEU A 32 -13.359 19.294 16.129 1.00 25.42 H new ATOM 0 HD22 LEU A 32 -14.538 19.893 14.938 1.00 25.42 H new ATOM 0 HD23 LEU A 32 -12.823 19.730 14.489 1.00 25.42 H new ATOM 439 N SER A 33 -10.911 22.627 13.275 1.00 74.41 N ATOM 440 CA SER A 33 -9.962 22.538 12.172 1.00 12.23 C ATOM 441 C SER A 33 -9.933 21.126 11.593 1.00 32.33 C ATOM 442 O SER A 33 -10.101 20.933 10.389 1.00 51.34 O ATOM 443 CB SER A 33 -8.562 22.938 12.640 1.00 33.30 C ATOM 444 OG SER A 33 -8.422 22.757 14.039 1.00 54.54 O ATOM 0 H SER A 33 -10.934 21.805 13.878 1.00 74.41 H new ATOM 0 HA SER A 33 -10.286 23.226 11.391 1.00 12.23 H new ATOM 0 HB2 SER A 33 -7.815 22.341 12.116 1.00 33.30 H new ATOM 0 HB3 SER A 33 -8.373 23.981 12.384 1.00 33.30 H new ATOM 0 HG SER A 33 -7.518 23.018 14.314 1.00 54.54 H new ATOM 450 N SER A 34 -9.720 20.142 12.461 1.00 1.02 N ATOM 451 CA SER A 34 -9.665 18.748 12.038 1.00 12.44 C ATOM 452 C SER A 34 -10.045 17.815 13.184 1.00 45.33 C ATOM 453 O SER A 34 -10.193 18.249 14.327 1.00 14.13 O ATOM 454 CB SER A 34 -8.264 18.403 11.527 1.00 23.14 C ATOM 455 OG SER A 34 -7.485 17.800 12.546 1.00 32.30 O ATOM 0 H SER A 34 -9.583 20.285 13.462 1.00 1.02 H new ATOM 0 HA SER A 34 -10.383 18.612 11.230 1.00 12.44 H new ATOM 0 HB2 SER A 34 -8.340 17.727 10.675 1.00 23.14 H new ATOM 0 HB3 SER A 34 -7.769 19.308 11.173 1.00 23.14 H new ATOM 0 HG SER A 34 -6.595 17.587 12.195 1.00 32.30 H new ATOM 461 N TRP A 35 -10.201 16.535 12.870 1.00 51.21 N ATOM 462 CA TRP A 35 -10.564 15.541 13.873 1.00 22.50 C ATOM 463 C TRP A 35 -9.614 14.349 13.827 1.00 43.13 C ATOM 464 O TRP A 35 -9.405 13.750 12.773 1.00 2.14 O ATOM 465 CB TRP A 35 -12.004 15.071 13.658 1.00 14.13 C ATOM 466 CG TRP A 35 -12.321 14.766 12.224 1.00 71.34 C ATOM 467 CD1 TRP A 35 -12.757 15.648 11.277 1.00 54.21 C ATOM 468 CD2 TRP A 35 -12.229 13.492 11.579 1.00 1.21 C ATOM 469 NE1 TRP A 35 -12.940 14.998 10.080 1.00 64.40 N ATOM 470 CE2 TRP A 35 -12.623 13.675 10.239 1.00 23.31 C ATOM 471 CE3 TRP A 35 -11.850 12.215 12.001 1.00 43.41 C ATOM 472 CZ2 TRP A 35 -12.650 12.627 9.322 1.00 44.45 C ATOM 473 CZ3 TRP A 35 -11.877 11.176 11.090 1.00 42.30 C ATOM 474 CH2 TRP A 35 -12.274 11.388 9.762 1.00 62.52 C ATOM 0 H TRP A 35 -10.082 16.160 11.929 1.00 51.21 H new ATOM 0 HA TRP A 35 -10.485 16.007 14.855 1.00 22.50 H new ATOM 0 HB2 TRP A 35 -12.181 14.180 14.260 1.00 14.13 H new ATOM 0 HB3 TRP A 35 -12.687 15.840 14.018 1.00 14.13 H new ATOM 0 HD1 TRP A 35 -12.932 16.701 11.444 1.00 54.21 H new ATOM 0 HE1 TRP A 35 -13.260 15.431 9.214 1.00 64.40 H new ATOM 0 HE3 TRP A 35 -11.541 12.043 13.022 1.00 43.41 H new ATOM 0 HZ2 TRP A 35 -12.957 12.787 8.299 1.00 44.45 H new ATOM 0 HZ3 TRP A 35 -11.588 10.185 11.406 1.00 42.30 H new ATOM 0 HH2 TRP A 35 -12.283 10.556 9.073 1.00 62.52 H new ATOM 485 N THR A 36 -9.042 14.010 14.978 1.00 32.41 N ATOM 486 CA THR A 36 -8.114 12.889 15.068 1.00 71.43 C ATOM 487 C THR A 36 -8.625 11.829 16.036 1.00 75.32 C ATOM 488 O THR A 36 -8.518 11.982 17.254 1.00 33.14 O ATOM 489 CB THR A 36 -6.717 13.353 15.523 1.00 10.45 C ATOM 490 OG1 THR A 36 -6.575 14.762 15.310 1.00 45.02 O ATOM 491 CG2 THR A 36 -5.627 12.609 14.766 1.00 41.22 C ATOM 0 H THR A 36 -9.205 14.495 15.860 1.00 32.41 H new ATOM 0 HA THR A 36 -8.039 12.459 14.069 1.00 71.43 H new ATOM 0 HB THR A 36 -6.614 13.134 16.586 1.00 10.45 H new ATOM 0 HG1 THR A 36 -5.685 15.049 15.603 1.00 45.02 H new ATOM 0 HG21 THR A 36 -4.650 12.953 15.104 1.00 41.22 H new ATOM 0 HG22 THR A 36 -5.720 11.539 14.953 1.00 41.22 H new ATOM 0 HG23 THR A 36 -5.730 12.801 13.698 1.00 41.22 H new ATOM 499 N VAL A 37 -9.179 10.752 15.489 1.00 63.40 N ATOM 500 CA VAL A 37 -9.704 9.664 16.305 1.00 22.32 C ATOM 501 C VAL A 37 -8.733 8.490 16.348 1.00 2.44 C ATOM 502 O VAL A 37 -8.599 7.747 15.375 1.00 70.14 O ATOM 503 CB VAL A 37 -11.065 9.172 15.775 1.00 11.20 C ATOM 504 CG1 VAL A 37 -11.737 8.261 16.792 1.00 51.34 C ATOM 505 CG2 VAL A 37 -11.960 10.351 15.429 1.00 41.14 C ATOM 0 H VAL A 37 -9.276 10.610 14.484 1.00 63.40 H new ATOM 0 HA VAL A 37 -9.835 10.059 17.312 1.00 22.32 H new ATOM 0 HB VAL A 37 -10.894 8.597 14.865 1.00 11.20 H new ATOM 0 HG11 VAL A 37 -12.697 7.924 16.400 1.00 51.34 H new ATOM 0 HG12 VAL A 37 -11.100 7.398 16.984 1.00 51.34 H new ATOM 0 HG13 VAL A 37 -11.897 8.808 17.721 1.00 51.34 H new ATOM 0 HG21 VAL A 37 -12.917 9.985 15.056 1.00 41.14 H new ATOM 0 HG22 VAL A 37 -12.125 10.956 16.320 1.00 41.14 H new ATOM 0 HG23 VAL A 37 -11.481 10.959 14.662 1.00 41.14 H new ATOM 515 N GLU A 38 -8.058 8.329 17.481 1.00 32.05 N ATOM 516 CA GLU A 38 -7.098 7.244 17.649 1.00 72.22 C ATOM 517 C GLU A 38 -7.501 6.336 18.808 1.00 54.40 C ATOM 518 O GLU A 38 -8.150 6.775 19.757 1.00 34.44 O ATOM 519 CB GLU A 38 -5.696 7.807 17.892 1.00 73.12 C ATOM 520 CG GLU A 38 -5.381 9.037 17.059 1.00 50.31 C ATOM 521 CD GLU A 38 -5.655 10.331 17.801 1.00 3.21 C ATOM 522 OE1 GLU A 38 -6.391 10.293 18.808 1.00 64.44 O ATOM 523 OE2 GLU A 38 -5.133 11.382 17.372 1.00 65.50 O ATOM 0 H GLU A 38 -8.158 8.935 18.295 1.00 32.05 H new ATOM 0 HA GLU A 38 -7.091 6.654 16.733 1.00 72.22 H new ATOM 0 HB2 GLU A 38 -5.592 8.057 18.948 1.00 73.12 H new ATOM 0 HB3 GLU A 38 -4.960 7.033 17.674 1.00 73.12 H new ATOM 0 HG2 GLU A 38 -4.333 9.009 16.759 1.00 50.31 H new ATOM 0 HG3 GLU A 38 -5.975 9.014 16.145 1.00 50.31 H new ATOM 530 N TRP A 39 -7.112 5.068 18.721 1.00 43.42 N ATOM 531 CA TRP A 39 -7.433 4.098 19.761 1.00 34.33 C ATOM 532 C TRP A 39 -6.388 2.989 19.812 1.00 33.32 C ATOM 533 O TRP A 39 -5.557 2.865 18.912 1.00 31.25 O ATOM 534 CB TRP A 39 -8.820 3.499 19.518 1.00 13.03 C ATOM 535 CG TRP A 39 -9.485 4.025 18.282 1.00 64.42 C ATOM 536 CD1 TRP A 39 -10.535 4.898 18.226 1.00 14.25 C ATOM 537 CD2 TRP A 39 -9.148 3.711 16.927 1.00 21.15 C ATOM 538 NE1 TRP A 39 -10.870 5.144 16.916 1.00 61.04 N ATOM 539 CE2 TRP A 39 -10.034 4.429 16.100 1.00 70.43 C ATOM 540 CE3 TRP A 39 -8.183 2.894 16.331 1.00 23.01 C ATOM 541 CZ2 TRP A 39 -9.983 4.352 14.711 1.00 73.12 C ATOM 542 CZ3 TRP A 39 -8.133 2.819 14.953 1.00 5.40 C ATOM 543 CH2 TRP A 39 -9.028 3.545 14.155 1.00 44.34 C ATOM 0 H TRP A 39 -6.574 4.689 17.942 1.00 43.42 H new ATOM 0 HA TRP A 39 -7.432 4.616 20.720 1.00 34.33 H new ATOM 0 HB2 TRP A 39 -8.732 2.415 19.441 1.00 13.03 H new ATOM 0 HB3 TRP A 39 -9.454 3.707 20.380 1.00 13.03 H new ATOM 0 HD1 TRP A 39 -11.028 5.330 19.084 1.00 14.25 H new ATOM 0 HE1 TRP A 39 -11.620 5.760 16.602 1.00 61.04 H new ATOM 0 HE3 TRP A 39 -7.489 2.331 16.938 1.00 23.01 H new ATOM 0 HZ2 TRP A 39 -10.673 4.909 14.094 1.00 73.12 H new ATOM 0 HZ3 TRP A 39 -7.392 2.190 14.482 1.00 5.40 H new ATOM 0 HH2 TRP A 39 -8.963 3.466 13.080 1.00 44.34 H new ATOM 554 N ASP A 40 -6.435 2.185 20.869 1.00 40.33 N ATOM 555 CA ASP A 40 -5.493 1.086 21.035 1.00 33.20 C ATOM 556 C ASP A 40 -6.111 -0.233 20.583 1.00 12.54 C ATOM 557 O ASP A 40 -7.212 -0.591 21.001 1.00 20.20 O ATOM 558 CB ASP A 40 -5.052 0.981 22.497 1.00 11.51 C ATOM 559 CG ASP A 40 -4.142 2.121 22.909 1.00 55.41 C ATOM 560 OD1 ASP A 40 -4.451 3.281 22.567 1.00 41.24 O ATOM 561 OD2 ASP A 40 -3.120 1.853 23.576 1.00 2.34 O ATOM 0 H ASP A 40 -7.116 2.275 21.623 1.00 40.33 H new ATOM 0 HA ASP A 40 -4.621 1.290 20.413 1.00 33.20 H new ATOM 0 HB2 ASP A 40 -5.932 0.972 23.140 1.00 11.51 H new ATOM 0 HB3 ASP A 40 -4.535 0.034 22.651 1.00 11.51 H new ATOM 566 N PHE A 41 -5.395 -0.952 19.724 1.00 11.32 N ATOM 567 CA PHE A 41 -5.874 -2.231 19.211 1.00 65.33 C ATOM 568 C PHE A 41 -5.016 -3.381 19.730 1.00 60.15 C ATOM 569 O PHE A 41 -4.164 -3.921 19.024 1.00 70.15 O ATOM 570 CB PHE A 41 -5.869 -2.226 17.681 1.00 44.41 C ATOM 571 CG PHE A 41 -7.174 -1.790 17.079 1.00 23.13 C ATOM 572 CD1 PHE A 41 -8.372 -2.311 17.538 1.00 64.32 C ATOM 573 CD2 PHE A 41 -7.202 -0.860 16.052 1.00 42.52 C ATOM 574 CE1 PHE A 41 -9.575 -1.912 16.986 1.00 23.04 C ATOM 575 CE2 PHE A 41 -8.401 -0.457 15.496 1.00 62.31 C ATOM 576 CZ PHE A 41 -9.590 -0.985 15.964 1.00 10.43 C ATOM 0 H PHE A 41 -4.481 -0.671 19.369 1.00 11.32 H new ATOM 0 HA PHE A 41 -6.895 -2.375 19.563 1.00 65.33 H new ATOM 0 HB2 PHE A 41 -5.077 -1.564 17.330 1.00 44.41 H new ATOM 0 HB3 PHE A 41 -5.629 -3.227 17.323 1.00 44.41 H new ATOM 0 HD1 PHE A 41 -8.367 -3.038 18.337 1.00 64.32 H new ATOM 0 HD2 PHE A 41 -6.276 -0.445 15.682 1.00 42.52 H new ATOM 0 HE1 PHE A 41 -10.502 -2.325 17.354 1.00 23.04 H new ATOM 0 HE2 PHE A 41 -8.409 0.269 14.697 1.00 62.31 H new ATOM 0 HZ PHE A 41 -10.529 -0.673 15.531 1.00 10.43 H new ATOM 586 N PRO A 42 -5.244 -3.765 20.995 1.00 64.21 N ATOM 587 CA PRO A 42 -4.503 -4.853 21.638 1.00 53.40 C ATOM 588 C PRO A 42 -4.856 -6.218 21.056 1.00 35.30 C ATOM 589 O PRO A 42 -3.975 -6.999 20.697 1.00 50.41 O ATOM 590 CB PRO A 42 -4.942 -4.766 23.101 1.00 75.41 C ATOM 591 CG PRO A 42 -6.284 -4.119 23.057 1.00 15.24 C ATOM 592 CD PRO A 42 -6.244 -3.166 21.894 1.00 65.54 C ATOM 0 HA PRO A 42 -3.427 -4.753 21.495 1.00 53.40 H new ATOM 0 HB2 PRO A 42 -4.994 -5.754 23.558 1.00 75.41 H new ATOM 0 HB3 PRO A 42 -4.239 -4.178 23.691 1.00 75.41 H new ATOM 0 HG2 PRO A 42 -7.071 -4.861 22.927 1.00 15.24 H new ATOM 0 HG3 PRO A 42 -6.494 -3.591 23.987 1.00 15.24 H new ATOM 0 HD2 PRO A 42 -7.218 -3.080 21.411 1.00 65.54 H new ATOM 0 HD3 PRO A 42 -5.954 -2.163 22.206 1.00 65.54 H new ATOM 600 N THR A 43 -6.152 -6.499 20.965 1.00 22.54 N ATOM 601 CA THR A 43 -6.622 -7.770 20.428 1.00 70.21 C ATOM 602 C THR A 43 -6.411 -7.842 18.919 1.00 70.15 C ATOM 603 O THR A 43 -6.522 -6.836 18.220 1.00 53.40 O ATOM 604 CB THR A 43 -8.115 -7.993 20.737 1.00 11.10 C ATOM 605 OG1 THR A 43 -8.388 -7.660 22.102 1.00 42.42 O ATOM 606 CG2 THR A 43 -8.512 -9.437 20.473 1.00 22.33 C ATOM 0 H THR A 43 -6.895 -5.864 21.256 1.00 22.54 H new ATOM 0 HA THR A 43 -6.037 -8.552 20.912 1.00 70.21 H new ATOM 0 HB THR A 43 -8.699 -7.346 20.082 1.00 11.10 H new ATOM 0 HG1 THR A 43 -9.339 -7.803 22.290 1.00 42.42 H new ATOM 0 HG21 THR A 43 -9.570 -9.570 20.698 1.00 22.33 H new ATOM 0 HG22 THR A 43 -8.331 -9.679 19.426 1.00 22.33 H new ATOM 0 HG23 THR A 43 -7.920 -10.099 21.106 1.00 22.33 H new ATOM 614 N GLY A 44 -6.105 -9.038 18.425 1.00 43.53 N ATOM 615 CA GLY A 44 -5.884 -9.217 17.002 1.00 70.02 C ATOM 616 C GLY A 44 -6.803 -8.355 16.159 1.00 33.40 C ATOM 617 O GLY A 44 -7.956 -8.713 15.920 1.00 25.33 O ATOM 0 H GLY A 44 -6.006 -9.885 18.984 1.00 43.53 H new ATOM 0 HA2 GLY A 44 -4.847 -8.977 16.765 1.00 70.02 H new ATOM 0 HA3 GLY A 44 -6.035 -10.265 16.743 1.00 70.02 H new ATOM 621 N THR A 45 -6.292 -7.214 15.707 1.00 21.41 N ATOM 622 CA THR A 45 -7.075 -6.297 14.889 1.00 42.31 C ATOM 623 C THR A 45 -6.173 -5.436 14.012 1.00 44.14 C ATOM 624 O THR A 45 -5.015 -5.185 14.351 1.00 24.34 O ATOM 625 CB THR A 45 -7.955 -5.379 15.758 1.00 13.15 C ATOM 626 OG1 THR A 45 -7.186 -4.844 16.840 1.00 74.04 O ATOM 627 CG2 THR A 45 -9.152 -6.140 16.308 1.00 20.20 C ATOM 0 H THR A 45 -5.339 -6.903 15.894 1.00 21.41 H new ATOM 0 HA THR A 45 -7.717 -6.909 14.255 1.00 42.31 H new ATOM 0 HB THR A 45 -8.318 -4.563 15.133 1.00 13.15 H new ATOM 0 HG1 THR A 45 -7.538 -3.963 17.087 1.00 74.04 H new ATOM 0 HG21 THR A 45 -9.759 -5.471 16.919 1.00 20.20 H new ATOM 0 HG22 THR A 45 -9.752 -6.521 15.482 1.00 20.20 H new ATOM 0 HG23 THR A 45 -8.804 -6.973 16.919 1.00 20.20 H new ATOM 635 N LYS A 46 -6.709 -4.983 12.884 1.00 45.22 N ATOM 636 CA LYS A 46 -5.954 -4.146 11.959 1.00 21.35 C ATOM 637 C LYS A 46 -6.847 -3.640 10.831 1.00 11.52 C ATOM 638 O LYS A 46 -7.566 -4.415 10.199 1.00 1.30 O ATOM 639 CB LYS A 46 -4.775 -4.930 11.378 1.00 13.53 C ATOM 640 CG LYS A 46 -5.143 -6.330 10.916 1.00 42.31 C ATOM 641 CD LYS A 46 -3.933 -7.075 10.378 1.00 35.12 C ATOM 642 CE LYS A 46 -3.075 -7.632 11.503 1.00 22.42 C ATOM 643 NZ LYS A 46 -3.582 -8.944 11.991 1.00 24.34 N ATOM 0 H LYS A 46 -7.665 -5.182 12.588 1.00 45.22 H new ATOM 0 HA LYS A 46 -5.575 -3.286 12.511 1.00 21.35 H new ATOM 0 HB2 LYS A 46 -4.361 -4.376 10.536 1.00 13.53 H new ATOM 0 HB3 LYS A 46 -3.990 -5.000 12.131 1.00 13.53 H new ATOM 0 HG2 LYS A 46 -5.574 -6.887 11.748 1.00 42.31 H new ATOM 0 HG3 LYS A 46 -5.908 -6.269 10.142 1.00 42.31 H new ATOM 0 HD2 LYS A 46 -4.263 -7.890 9.734 1.00 35.12 H new ATOM 0 HD3 LYS A 46 -3.335 -6.403 9.762 1.00 35.12 H new ATOM 0 HE2 LYS A 46 -2.049 -7.747 11.154 1.00 22.42 H new ATOM 0 HE3 LYS A 46 -3.053 -6.921 12.329 1.00 22.42 H new ATOM 0 HZ1 LYS A 46 -2.970 -9.290 12.757 1.00 24.34 H new ATOM 0 HZ2 LYS A 46 -4.552 -8.830 12.348 1.00 24.34 H new ATOM 0 HZ3 LYS A 46 -3.579 -9.630 11.209 1.00 24.34 H new ATOM 657 N VAL A 47 -6.794 -2.336 10.581 1.00 4.30 N ATOM 658 CA VAL A 47 -7.597 -1.727 9.526 1.00 73.33 C ATOM 659 C VAL A 47 -6.968 -1.956 8.156 1.00 44.24 C ATOM 660 O VAL A 47 -6.164 -1.150 7.686 1.00 62.02 O ATOM 661 CB VAL A 47 -7.767 -0.213 9.755 1.00 21.03 C ATOM 662 CG1 VAL A 47 -8.575 0.409 8.626 1.00 62.03 C ATOM 663 CG2 VAL A 47 -8.424 0.052 11.100 1.00 71.35 C ATOM 0 H VAL A 47 -6.204 -1.681 11.094 1.00 4.30 H new ATOM 0 HA VAL A 47 -8.577 -2.204 9.557 1.00 73.33 H new ATOM 0 HB VAL A 47 -6.780 0.249 9.762 1.00 21.03 H new ATOM 0 HG11 VAL A 47 -8.685 1.479 8.804 1.00 62.03 H new ATOM 0 HG12 VAL A 47 -8.059 0.250 7.679 1.00 62.03 H new ATOM 0 HG13 VAL A 47 -9.560 -0.055 8.585 1.00 62.03 H new ATOM 0 HG21 VAL A 47 -8.536 1.127 11.245 1.00 71.35 H new ATOM 0 HG22 VAL A 47 -9.405 -0.422 11.125 1.00 71.35 H new ATOM 0 HG23 VAL A 47 -7.802 -0.358 11.896 1.00 71.35 H new ATOM 673 N THR A 48 -7.341 -3.061 7.517 1.00 44.01 N ATOM 674 CA THR A 48 -6.815 -3.397 6.201 1.00 41.42 C ATOM 675 C THR A 48 -7.217 -2.354 5.164 1.00 64.33 C ATOM 676 O THR A 48 -6.425 -1.990 4.296 1.00 13.21 O ATOM 677 CB THR A 48 -7.305 -4.781 5.737 1.00 14.45 C ATOM 678 OG1 THR A 48 -6.846 -5.792 6.641 1.00 3.10 O ATOM 679 CG2 THR A 48 -6.807 -5.088 4.331 1.00 62.23 C ATOM 0 H THR A 48 -8.006 -3.738 7.891 1.00 44.01 H new ATOM 0 HA THR A 48 -5.729 -3.415 6.291 1.00 41.42 H new ATOM 0 HB THR A 48 -8.395 -4.771 5.726 1.00 14.45 H new ATOM 0 HG1 THR A 48 -7.163 -6.669 6.340 1.00 3.10 H new ATOM 0 HG21 THR A 48 -7.166 -6.071 4.024 1.00 62.23 H new ATOM 0 HG22 THR A 48 -7.181 -4.333 3.639 1.00 62.23 H new ATOM 0 HG23 THR A 48 -5.717 -5.080 4.321 1.00 62.23 H new ATOM 687 N SER A 49 -8.453 -1.875 5.262 1.00 61.40 N ATOM 688 CA SER A 49 -8.962 -0.875 4.331 1.00 63.41 C ATOM 689 C SER A 49 -9.585 0.299 5.081 1.00 71.41 C ATOM 690 O SER A 49 -10.149 0.131 6.162 1.00 33.33 O ATOM 691 CB SER A 49 -9.997 -1.502 3.392 1.00 54.15 C ATOM 692 OG SER A 49 -10.829 -0.510 2.816 1.00 73.11 O ATOM 0 H SER A 49 -9.121 -2.164 5.977 1.00 61.40 H new ATOM 0 HA SER A 49 -8.124 -0.503 3.741 1.00 63.41 H new ATOM 0 HB2 SER A 49 -9.489 -2.057 2.604 1.00 54.15 H new ATOM 0 HB3 SER A 49 -10.607 -2.218 3.943 1.00 54.15 H new ATOM 0 HG SER A 49 -11.692 -0.497 3.280 1.00 73.11 H new ATOM 698 N ALA A 50 -9.478 1.488 4.498 1.00 23.34 N ATOM 699 CA ALA A 50 -10.032 2.690 5.108 1.00 64.25 C ATOM 700 C ALA A 50 -10.559 3.652 4.048 1.00 72.34 C ATOM 701 O ALA A 50 -9.863 3.967 3.082 1.00 73.50 O ATOM 702 CB ALA A 50 -8.982 3.376 5.971 1.00 0.43 C ATOM 0 H ALA A 50 -9.013 1.645 3.604 1.00 23.34 H new ATOM 0 HA ALA A 50 -10.869 2.394 5.740 1.00 64.25 H new ATOM 0 HB1 ALA A 50 -9.409 4.272 6.420 1.00 0.43 H new ATOM 0 HB2 ALA A 50 -8.656 2.695 6.758 1.00 0.43 H new ATOM 0 HB3 ALA A 50 -8.127 3.652 5.353 1.00 0.43 H new ATOM 708 N TRP A 51 -11.790 4.113 4.235 1.00 54.24 N ATOM 709 CA TRP A 51 -12.409 5.040 3.294 1.00 11.14 C ATOM 710 C TRP A 51 -12.935 6.277 4.013 1.00 34.22 C ATOM 711 O TRP A 51 -13.423 6.190 5.140 1.00 43.34 O ATOM 712 CB TRP A 51 -13.549 4.348 2.543 1.00 50.40 C ATOM 713 CG TRP A 51 -14.516 3.647 3.447 1.00 33.35 C ATOM 714 CD1 TRP A 51 -15.521 4.217 4.174 1.00 44.13 C ATOM 715 CD2 TRP A 51 -14.568 2.242 3.721 1.00 72.24 C ATOM 716 NE1 TRP A 51 -16.195 3.252 4.884 1.00 71.03 N ATOM 717 CE2 TRP A 51 -15.629 2.032 4.623 1.00 4.41 C ATOM 718 CE3 TRP A 51 -13.822 1.141 3.292 1.00 74.15 C ATOM 719 CZ2 TRP A 51 -15.960 0.767 5.102 1.00 5.32 C ATOM 720 CZ3 TRP A 51 -14.151 -0.114 3.768 1.00 24.31 C ATOM 721 CH2 TRP A 51 -15.213 -0.292 4.664 1.00 30.33 C ATOM 0 H TRP A 51 -12.379 3.861 5.029 1.00 54.24 H new ATOM 0 HA TRP A 51 -11.649 5.355 2.579 1.00 11.14 H new ATOM 0 HB2 TRP A 51 -14.087 5.089 1.952 1.00 50.40 H new ATOM 0 HB3 TRP A 51 -13.128 3.626 1.843 1.00 50.40 H new ATOM 0 HD1 TRP A 51 -15.753 5.272 4.189 1.00 44.13 H new ATOM 0 HE1 TRP A 51 -16.988 3.417 5.504 1.00 71.03 H new ATOM 0 HE3 TRP A 51 -13.002 1.269 2.600 1.00 74.15 H new ATOM 0 HZ2 TRP A 51 -16.777 0.627 5.794 1.00 5.32 H new ATOM 0 HZ3 TRP A 51 -13.580 -0.972 3.444 1.00 24.31 H new ATOM 0 HH2 TRP A 51 -15.447 -1.286 5.016 1.00 30.33 H new ATOM 732 N ASP A 52 -12.832 7.426 3.355 1.00 53.05 N ATOM 733 CA ASP A 52 -13.298 8.682 3.932 1.00 11.01 C ATOM 734 C ASP A 52 -12.501 9.034 5.184 1.00 35.22 C ATOM 735 O ASP A 52 -12.913 9.881 5.976 1.00 14.41 O ATOM 736 CB ASP A 52 -14.787 8.591 4.269 1.00 2.20 C ATOM 737 CG ASP A 52 -15.443 9.955 4.359 1.00 24.51 C ATOM 738 OD1 ASP A 52 -15.749 10.536 3.298 1.00 65.25 O ATOM 739 OD2 ASP A 52 -15.652 10.439 5.491 1.00 73.12 O ATOM 0 H ASP A 52 -12.430 7.514 2.422 1.00 53.05 H new ATOM 0 HA ASP A 52 -13.148 9.470 3.194 1.00 11.01 H new ATOM 0 HB2 ASP A 52 -15.293 7.997 3.508 1.00 2.20 H new ATOM 0 HB3 ASP A 52 -14.911 8.068 5.217 1.00 2.20 H new ATOM 744 N ALA A 53 -11.358 8.377 5.356 1.00 51.05 N ATOM 745 CA ALA A 53 -10.503 8.621 6.511 1.00 62.53 C ATOM 746 C ALA A 53 -9.174 7.885 6.375 1.00 64.42 C ATOM 747 O ALA A 53 -9.141 6.662 6.237 1.00 54.24 O ATOM 748 CB ALA A 53 -11.213 8.203 7.791 1.00 53.21 C ATOM 0 H ALA A 53 -11.003 7.672 4.710 1.00 51.05 H new ATOM 0 HA ALA A 53 -10.293 9.690 6.558 1.00 62.53 H new ATOM 0 HB1 ALA A 53 -10.563 8.391 8.646 1.00 53.21 H new ATOM 0 HB2 ALA A 53 -12.133 8.778 7.901 1.00 53.21 H new ATOM 0 HB3 ALA A 53 -11.453 7.141 7.744 1.00 53.21 H new ATOM 754 N THR A 54 -8.079 8.638 6.416 1.00 20.30 N ATOM 755 CA THR A 54 -6.748 8.058 6.296 1.00 30.13 C ATOM 756 C THR A 54 -6.303 7.425 7.610 1.00 4.24 C ATOM 757 O THR A 54 -5.890 8.120 8.536 1.00 53.45 O ATOM 758 CB THR A 54 -5.711 9.114 5.871 1.00 54.52 C ATOM 759 OG1 THR A 54 -6.042 9.635 4.579 1.00 63.03 O ATOM 760 CG2 THR A 54 -4.312 8.517 5.839 1.00 53.00 C ATOM 0 H THR A 54 -8.088 9.651 6.531 1.00 20.30 H new ATOM 0 HA THR A 54 -6.807 7.288 5.527 1.00 30.13 H new ATOM 0 HB THR A 54 -5.728 9.922 6.603 1.00 54.52 H new ATOM 0 HG1 THR A 54 -5.378 10.307 4.317 1.00 63.03 H new ATOM 0 HG21 THR A 54 -3.597 9.282 5.536 1.00 53.00 H new ATOM 0 HG22 THR A 54 -4.051 8.149 6.831 1.00 53.00 H new ATOM 0 HG23 THR A 54 -4.285 7.692 5.127 1.00 53.00 H new ATOM 768 N VAL A 55 -6.391 6.100 7.682 1.00 61.53 N ATOM 769 CA VAL A 55 -5.996 5.373 8.882 1.00 61.52 C ATOM 770 C VAL A 55 -4.509 5.040 8.859 1.00 53.45 C ATOM 771 O VAL A 55 -3.929 4.809 7.797 1.00 31.22 O ATOM 772 CB VAL A 55 -6.800 4.068 9.038 1.00 11.23 C ATOM 773 CG1 VAL A 55 -6.462 3.388 10.356 1.00 24.45 C ATOM 774 CG2 VAL A 55 -8.292 4.347 8.938 1.00 62.23 C ATOM 0 H VAL A 55 -6.732 5.509 6.924 1.00 61.53 H new ATOM 0 HA VAL A 55 -6.206 6.025 9.730 1.00 61.52 H new ATOM 0 HB VAL A 55 -6.526 3.392 8.228 1.00 11.23 H new ATOM 0 HG11 VAL A 55 -7.039 2.468 10.449 1.00 24.45 H new ATOM 0 HG12 VAL A 55 -5.398 3.153 10.382 1.00 24.45 H new ATOM 0 HG13 VAL A 55 -6.706 4.055 11.183 1.00 24.45 H new ATOM 0 HG21 VAL A 55 -8.845 3.414 9.050 1.00 62.23 H new ATOM 0 HG22 VAL A 55 -8.586 5.040 9.726 1.00 62.23 H new ATOM 0 HG23 VAL A 55 -8.516 4.786 7.966 1.00 62.23 H new ATOM 784 N THR A 56 -3.893 5.019 10.038 1.00 30.12 N ATOM 785 CA THR A 56 -2.473 4.716 10.153 1.00 55.42 C ATOM 786 C THR A 56 -2.198 3.815 11.351 1.00 63.42 C ATOM 787 O THR A 56 -2.796 3.980 12.414 1.00 45.23 O ATOM 788 CB THR A 56 -1.633 6.000 10.287 1.00 24.31 C ATOM 789 OG1 THR A 56 -1.586 6.689 9.032 1.00 62.34 O ATOM 790 CG2 THR A 56 -0.220 5.677 10.748 1.00 40.52 C ATOM 0 H THR A 56 -4.357 5.209 10.926 1.00 30.12 H new ATOM 0 HA THR A 56 -2.186 4.197 9.238 1.00 55.42 H new ATOM 0 HB THR A 56 -2.104 6.639 11.034 1.00 24.31 H new ATOM 0 HG1 THR A 56 -1.051 7.505 9.127 1.00 62.34 H new ATOM 0 HG21 THR A 56 0.354 6.599 10.835 1.00 40.52 H new ATOM 0 HG22 THR A 56 -0.258 5.180 11.717 1.00 40.52 H new ATOM 0 HG23 THR A 56 0.258 5.019 10.022 1.00 40.52 H new ATOM 798 N ASN A 57 -1.289 2.861 11.174 1.00 43.44 N ATOM 799 CA ASN A 57 -0.935 1.934 12.242 1.00 71.04 C ATOM 800 C ASN A 57 0.453 2.243 12.793 1.00 53.44 C ATOM 801 O ASN A 57 1.278 2.858 12.117 1.00 45.12 O ATOM 802 CB ASN A 57 -0.985 0.493 11.732 1.00 62.24 C ATOM 803 CG ASN A 57 0.320 0.060 11.093 1.00 75.22 C ATOM 804 OD1 ASN A 57 0.653 0.483 9.986 1.00 24.44 O ATOM 805 ND2 ASN A 57 1.067 -0.788 11.791 1.00 61.43 N ATOM 0 H ASN A 57 -0.784 2.710 10.301 1.00 43.44 H new ATOM 0 HA ASN A 57 -1.660 2.052 13.047 1.00 71.04 H new ATOM 0 HB2 ASN A 57 -1.220 -0.175 12.561 1.00 62.24 H new ATOM 0 HB3 ASN A 57 -1.792 0.395 11.006 1.00 62.24 H new ATOM 0 HD21 ASN A 57 1.956 -1.115 11.413 1.00 61.43 H new ATOM 0 HD22 ASN A 57 0.751 -1.113 12.705 1.00 61.43 H new ATOM 812 N SER A 58 0.706 1.810 14.024 1.00 70.12 N ATOM 813 CA SER A 58 1.995 2.042 14.667 1.00 45.45 C ATOM 814 C SER A 58 2.204 1.075 15.828 1.00 51.04 C ATOM 815 O SER A 58 1.909 1.395 16.978 1.00 51.24 O ATOM 816 CB SER A 58 2.086 3.485 15.166 1.00 71.33 C ATOM 817 OG SER A 58 3.197 3.657 16.029 1.00 64.23 O ATOM 0 H SER A 58 0.036 1.297 14.596 1.00 70.12 H new ATOM 0 HA SER A 58 2.779 1.870 13.929 1.00 45.45 H new ATOM 0 HB2 SER A 58 2.173 4.162 14.316 1.00 71.33 H new ATOM 0 HB3 SER A 58 1.169 3.750 15.692 1.00 71.33 H new ATOM 0 HG SER A 58 3.234 4.588 16.333 1.00 64.23 H new ATOM 823 N GLY A 59 2.718 -0.111 15.517 1.00 25.24 N ATOM 824 CA GLY A 59 2.958 -1.108 16.544 1.00 32.02 C ATOM 825 C GLY A 59 1.675 -1.715 17.074 1.00 60.42 C ATOM 826 O GLY A 59 1.181 -2.708 16.539 1.00 44.42 O ATOM 0 H GLY A 59 2.972 -0.399 14.572 1.00 25.24 H new ATOM 0 HA2 GLY A 59 3.590 -1.898 16.138 1.00 32.02 H new ATOM 0 HA3 GLY A 59 3.508 -0.652 17.367 1.00 32.02 H new ATOM 830 N ASP A 60 1.133 -1.121 18.132 1.00 52.04 N ATOM 831 CA ASP A 60 -0.100 -1.609 18.737 1.00 11.34 C ATOM 832 C ASP A 60 -1.135 -0.492 18.838 1.00 32.24 C ATOM 833 O ASP A 60 -2.197 -0.669 19.436 1.00 40.43 O ATOM 834 CB ASP A 60 0.181 -2.189 20.124 1.00 43.53 C ATOM 835 CG ASP A 60 1.317 -3.192 20.112 1.00 15.52 C ATOM 836 OD1 ASP A 60 1.144 -4.277 19.518 1.00 21.31 O ATOM 837 OD2 ASP A 60 2.380 -2.893 20.698 1.00 23.22 O ATOM 0 H ASP A 60 1.529 -0.300 18.589 1.00 52.04 H new ATOM 0 HA ASP A 60 -0.502 -2.396 18.099 1.00 11.34 H new ATOM 0 HB2 ASP A 60 0.423 -1.378 20.811 1.00 43.53 H new ATOM 0 HB3 ASP A 60 -0.721 -2.670 20.503 1.00 43.53 H new ATOM 842 N HIS A 61 -0.818 0.657 18.251 1.00 34.34 N ATOM 843 CA HIS A 61 -1.721 1.802 18.276 1.00 54.40 C ATOM 844 C HIS A 61 -2.096 2.229 16.860 1.00 43.31 C ATOM 845 O HIS A 61 -1.296 2.110 15.933 1.00 51.41 O ATOM 846 CB HIS A 61 -1.073 2.972 19.018 1.00 34.23 C ATOM 847 CG HIS A 61 -1.832 4.256 18.891 1.00 1.43 C ATOM 848 ND1 HIS A 61 -2.684 4.727 19.867 1.00 61.15 N ATOM 849 CD2 HIS A 61 -1.864 5.171 17.893 1.00 65.11 C ATOM 850 CE1 HIS A 61 -3.208 5.875 19.477 1.00 55.11 C ATOM 851 NE2 HIS A 61 -2.725 6.167 18.282 1.00 25.24 N ATOM 0 H HIS A 61 0.057 0.820 17.752 1.00 34.34 H new ATOM 0 HA HIS A 61 -2.630 1.506 18.800 1.00 54.40 H new ATOM 0 HB2 HIS A 61 -0.982 2.716 20.074 1.00 34.23 H new ATOM 0 HB3 HIS A 61 -0.062 3.118 18.637 1.00 34.23 H new ATOM 0 HD1 HIS A 61 -2.879 4.261 20.753 1.00 61.15 H new ATOM 0 HD2 HIS A 61 -1.315 5.126 16.964 1.00 65.11 H new ATOM 0 HE1 HIS A 61 -3.911 6.473 20.038 1.00 55.11 H new ATOM 859 N TRP A 62 -3.318 2.724 16.701 1.00 22.44 N ATOM 860 CA TRP A 62 -3.800 3.167 15.398 1.00 62.43 C ATOM 861 C TRP A 62 -4.378 4.575 15.482 1.00 25.24 C ATOM 862 O TRP A 62 -4.754 5.041 16.558 1.00 73.42 O ATOM 863 CB TRP A 62 -4.857 2.198 14.866 1.00 45.13 C ATOM 864 CG TRP A 62 -4.299 0.863 14.481 1.00 12.14 C ATOM 865 CD1 TRP A 62 -3.777 -0.081 15.319 1.00 23.33 C ATOM 866 CD2 TRP A 62 -4.204 0.323 13.157 1.00 61.10 C ATOM 867 NE1 TRP A 62 -3.364 -1.175 14.596 1.00 32.42 N ATOM 868 CE2 TRP A 62 -3.616 -0.952 13.268 1.00 22.20 C ATOM 869 CE3 TRP A 62 -4.561 0.792 11.890 1.00 73.54 C ATOM 870 CZ2 TRP A 62 -3.376 -1.760 12.160 1.00 22.41 C ATOM 871 CZ3 TRP A 62 -4.323 -0.011 10.791 1.00 35.33 C ATOM 872 CH2 TRP A 62 -3.735 -1.276 10.932 1.00 3.23 C ATOM 0 H TRP A 62 -3.993 2.829 17.458 1.00 22.44 H new ATOM 0 HA TRP A 62 -2.954 3.183 14.711 1.00 62.43 H new ATOM 0 HB2 TRP A 62 -5.625 2.057 15.626 1.00 45.13 H new ATOM 0 HB3 TRP A 62 -5.344 2.644 13.999 1.00 45.13 H new ATOM 0 HD1 TRP A 62 -3.700 0.018 16.392 1.00 23.33 H new ATOM 0 HE1 TRP A 62 -2.939 -2.016 14.985 1.00 32.42 H new ATOM 0 HE3 TRP A 62 -5.015 1.765 11.772 1.00 73.54 H new ATOM 0 HZ2 TRP A 62 -2.922 -2.734 12.266 1.00 22.41 H new ATOM 0 HZ3 TRP A 62 -4.594 0.342 9.807 1.00 35.33 H new ATOM 0 HH2 TRP A 62 -3.562 -1.880 10.054 1.00 3.23 H new ATOM 883 N THR A 63 -4.450 5.250 14.338 1.00 55.55 N ATOM 884 CA THR A 63 -4.981 6.606 14.283 1.00 62.13 C ATOM 885 C THR A 63 -5.721 6.852 12.973 1.00 45.24 C ATOM 886 O THR A 63 -5.388 6.270 11.942 1.00 61.42 O ATOM 887 CB THR A 63 -3.864 7.654 14.434 1.00 42.41 C ATOM 888 OG1 THR A 63 -4.414 8.974 14.343 1.00 70.21 O ATOM 889 CG2 THR A 63 -2.800 7.469 13.362 1.00 55.24 C ATOM 0 H THR A 63 -4.147 4.879 13.437 1.00 55.55 H new ATOM 0 HA THR A 63 -5.677 6.708 15.116 1.00 62.13 H new ATOM 0 HB THR A 63 -3.401 7.520 15.412 1.00 42.41 H new ATOM 0 HG1 THR A 63 -3.697 9.635 14.442 1.00 70.21 H new ATOM 0 HG21 THR A 63 -2.021 8.221 13.489 1.00 55.24 H new ATOM 0 HG22 THR A 63 -2.363 6.475 13.451 1.00 55.24 H new ATOM 0 HG23 THR A 63 -3.253 7.579 12.377 1.00 55.24 H new ATOM 897 N ALA A 64 -6.726 7.722 13.021 1.00 22.34 N ATOM 898 CA ALA A 64 -7.511 8.048 11.837 1.00 31.53 C ATOM 899 C ALA A 64 -7.629 9.556 11.656 1.00 4.51 C ATOM 900 O ALA A 64 -8.146 10.258 12.525 1.00 43.44 O ATOM 901 CB ALA A 64 -8.892 7.416 11.929 1.00 32.12 C ATOM 0 H ALA A 64 -7.015 8.213 13.867 1.00 22.34 H new ATOM 0 HA ALA A 64 -6.995 7.643 10.966 1.00 31.53 H new ATOM 0 HB1 ALA A 64 -9.467 7.668 11.038 1.00 32.12 H new ATOM 0 HB2 ALA A 64 -8.792 6.333 12.003 1.00 32.12 H new ATOM 0 HB3 ALA A 64 -9.407 7.794 12.812 1.00 32.12 H new ATOM 907 N LYS A 65 -7.146 10.050 10.521 1.00 65.03 N ATOM 908 CA LYS A 65 -7.198 11.478 10.224 1.00 12.12 C ATOM 909 C LYS A 65 -7.689 11.719 8.800 1.00 41.23 C ATOM 910 O LYS A 65 -7.528 10.869 7.925 1.00 42.30 O ATOM 911 CB LYS A 65 -5.817 12.108 10.412 1.00 74.14 C ATOM 912 CG LYS A 65 -4.762 11.559 9.467 1.00 32.24 C ATOM 913 CD LYS A 65 -3.975 10.428 10.106 1.00 74.44 C ATOM 914 CE LYS A 65 -2.633 10.912 10.634 1.00 52.41 C ATOM 915 NZ LYS A 65 -1.566 10.824 9.599 1.00 4.34 N ATOM 0 H LYS A 65 -6.714 9.483 9.791 1.00 65.03 H new ATOM 0 HA LYS A 65 -7.900 11.943 10.916 1.00 12.12 H new ATOM 0 HB2 LYS A 65 -5.896 13.185 10.268 1.00 74.14 H new ATOM 0 HB3 LYS A 65 -5.491 11.947 11.440 1.00 74.14 H new ATOM 0 HG2 LYS A 65 -5.240 11.201 8.555 1.00 32.24 H new ATOM 0 HG3 LYS A 65 -4.081 12.359 9.177 1.00 32.24 H new ATOM 0 HD2 LYS A 65 -4.554 9.996 10.922 1.00 74.44 H new ATOM 0 HD3 LYS A 65 -3.815 9.636 9.375 1.00 74.44 H new ATOM 0 HE2 LYS A 65 -2.727 11.944 10.972 1.00 52.41 H new ATOM 0 HE3 LYS A 65 -2.348 10.317 11.501 1.00 52.41 H new ATOM 0 HZ1 LYS A 65 -0.667 11.163 9.997 1.00 4.34 H new ATOM 0 HZ2 LYS A 65 -1.459 9.836 9.294 1.00 4.34 H new ATOM 0 HZ3 LYS A 65 -1.826 11.412 8.782 1.00 4.34 H new ATOM 929 N ASN A 66 -8.287 12.884 8.575 1.00 42.40 N ATOM 930 CA ASN A 66 -8.800 13.238 7.257 1.00 3.43 C ATOM 931 C ASN A 66 -8.338 14.633 6.849 1.00 42.23 C ATOM 932 O ASN A 66 -7.795 14.827 5.761 1.00 41.31 O ATOM 933 CB ASN A 66 -10.329 13.171 7.247 1.00 44.44 C ATOM 934 CG ASN A 66 -10.907 13.356 5.857 1.00 34.15 C ATOM 935 OD1 ASN A 66 -11.758 14.217 5.635 1.00 42.33 O ATOM 936 ND2 ASN A 66 -10.447 12.543 4.913 1.00 21.05 N ATOM 0 H ASN A 66 -8.428 13.599 9.289 1.00 42.40 H new ATOM 0 HA ASN A 66 -8.407 12.520 6.537 1.00 3.43 H new ATOM 0 HB2 ASN A 66 -10.650 12.209 7.646 1.00 44.44 H new ATOM 0 HB3 ASN A 66 -10.728 13.940 7.909 1.00 44.44 H new ATOM 0 HD21 ASN A 66 -10.800 12.618 3.959 1.00 21.05 H new ATOM 0 HD22 ASN A 66 -9.741 11.843 5.142 1.00 21.05 H new ATOM 943 N VAL A 67 -8.558 15.604 7.730 1.00 55.03 N ATOM 944 CA VAL A 67 -8.161 16.983 7.464 1.00 24.34 C ATOM 945 C VAL A 67 -6.842 17.318 8.149 1.00 10.11 C ATOM 946 O VAL A 67 -6.663 18.416 8.672 1.00 4.31 O ATOM 947 CB VAL A 67 -9.239 17.976 7.936 1.00 40.13 C ATOM 948 CG1 VAL A 67 -9.334 19.156 6.980 1.00 11.34 C ATOM 949 CG2 VAL A 67 -10.585 17.280 8.070 1.00 74.01 C ATOM 0 H VAL A 67 -9.009 15.462 8.634 1.00 55.03 H new ATOM 0 HA VAL A 67 -8.039 17.075 6.385 1.00 24.34 H new ATOM 0 HB VAL A 67 -8.953 18.355 8.917 1.00 40.13 H new ATOM 0 HG11 VAL A 67 -10.101 19.847 7.330 1.00 11.34 H new ATOM 0 HG12 VAL A 67 -8.374 19.670 6.940 1.00 11.34 H new ATOM 0 HG13 VAL A 67 -9.596 18.798 5.984 1.00 11.34 H new ATOM 0 HG21 VAL A 67 -11.334 17.998 8.405 1.00 74.01 H new ATOM 0 HG22 VAL A 67 -10.881 16.871 7.104 1.00 74.01 H new ATOM 0 HG23 VAL A 67 -10.506 16.472 8.798 1.00 74.01 H new ATOM 959 N GLY A 68 -5.918 16.361 8.141 1.00 51.10 N ATOM 960 CA GLY A 68 -4.624 16.574 8.764 1.00 45.11 C ATOM 961 C GLY A 68 -3.701 17.419 7.909 1.00 14.54 C ATOM 962 O GLY A 68 -2.570 17.706 8.302 1.00 63.13 O ATOM 0 H GLY A 68 -6.042 15.443 7.715 1.00 51.10 H new ATOM 0 HA2 GLY A 68 -4.765 17.059 9.730 1.00 45.11 H new ATOM 0 HA3 GLY A 68 -4.154 15.610 8.957 1.00 45.11 H new ATOM 966 N TRP A 69 -4.182 17.815 6.736 1.00 15.44 N ATOM 967 CA TRP A 69 -3.389 18.629 5.821 1.00 41.30 C ATOM 968 C TRP A 69 -3.998 20.019 5.664 1.00 33.04 C ATOM 969 O TRP A 69 -3.300 20.979 5.342 1.00 64.23 O ATOM 970 CB TRP A 69 -3.286 17.946 4.456 1.00 71.02 C ATOM 971 CG TRP A 69 -4.527 17.200 4.069 1.00 53.24 C ATOM 972 CD1 TRP A 69 -4.793 15.881 4.295 1.00 70.30 C ATOM 973 CD2 TRP A 69 -5.668 17.731 3.387 1.00 53.23 C ATOM 974 NE1 TRP A 69 -6.032 15.559 3.795 1.00 42.11 N ATOM 975 CE2 TRP A 69 -6.589 16.677 3.233 1.00 0.13 C ATOM 976 CE3 TRP A 69 -6.001 18.996 2.893 1.00 21.42 C ATOM 977 CZ2 TRP A 69 -7.819 16.850 2.604 1.00 63.43 C ATOM 978 CZ3 TRP A 69 -7.223 19.165 2.270 1.00 2.15 C ATOM 979 CH2 TRP A 69 -8.120 18.097 2.130 1.00 41.34 C ATOM 0 H TRP A 69 -5.116 17.586 6.396 1.00 15.44 H new ATOM 0 HA TRP A 69 -2.389 18.736 6.241 1.00 41.30 H new ATOM 0 HB2 TRP A 69 -3.071 18.698 3.697 1.00 71.02 H new ATOM 0 HB3 TRP A 69 -2.444 17.254 4.467 1.00 71.02 H new ATOM 0 HD1 TRP A 69 -4.128 15.191 4.793 1.00 70.30 H new ATOM 0 HE1 TRP A 69 -6.466 14.637 3.836 1.00 42.11 H new ATOM 0 HE3 TRP A 69 -5.316 19.825 2.996 1.00 21.42 H new ATOM 0 HZ2 TRP A 69 -8.511 16.028 2.494 1.00 63.43 H new ATOM 0 HZ3 TRP A 69 -7.492 20.137 1.884 1.00 2.15 H new ATOM 0 HH2 TRP A 69 -9.067 18.262 1.638 1.00 41.34 H new ATOM 990 N ASN A 70 -5.304 20.117 5.892 1.00 12.32 N ATOM 991 CA ASN A 70 -6.006 21.390 5.774 1.00 32.14 C ATOM 992 C ASN A 70 -6.392 21.927 7.149 1.00 31.33 C ATOM 993 O ASN A 70 -6.175 23.099 7.451 1.00 64.13 O ATOM 994 CB ASN A 70 -7.257 21.227 4.909 1.00 2.22 C ATOM 995 CG ASN A 70 -7.144 21.960 3.585 1.00 22.13 C ATOM 996 OD1 ASN A 70 -6.044 22.205 3.092 1.00 12.35 O ATOM 997 ND2 ASN A 70 -8.285 22.312 3.005 1.00 4.21 N ATOM 0 H ASN A 70 -5.897 19.331 6.159 1.00 12.32 H new ATOM 0 HA ASN A 70 -5.334 22.105 5.299 1.00 32.14 H new ATOM 0 HB2 ASN A 70 -7.430 20.167 4.721 1.00 2.22 H new ATOM 0 HB3 ASN A 70 -8.124 21.600 5.455 1.00 2.22 H new ATOM 0 HD21 ASN A 70 -8.272 22.807 2.113 1.00 4.21 H new ATOM 0 HD22 ASN A 70 -9.174 22.087 3.451 1.00 4.21 H new ATOM 1004 N GLY A 71 -6.964 21.060 7.979 1.00 2.32 N ATOM 1005 CA GLY A 71 -7.370 21.465 9.311 1.00 43.54 C ATOM 1006 C GLY A 71 -8.205 22.731 9.303 1.00 54.22 C ATOM 1007 O GLY A 71 -7.862 23.715 9.959 1.00 32.21 O ATOM 0 H GLY A 71 -7.153 20.084 7.752 1.00 2.32 H new ATOM 0 HA2 GLY A 71 -7.941 20.660 9.774 1.00 43.54 H new ATOM 0 HA3 GLY A 71 -6.484 21.622 9.926 1.00 43.54 H new ATOM 1011 N THR A 72 -9.305 22.708 8.557 1.00 12.12 N ATOM 1012 CA THR A 72 -10.189 23.862 8.463 1.00 44.03 C ATOM 1013 C THR A 72 -11.652 23.433 8.423 1.00 32.42 C ATOM 1014 O THR A 72 -12.180 23.092 7.365 1.00 5.21 O ATOM 1015 CB THR A 72 -9.880 24.707 7.213 1.00 30.30 C ATOM 1016 OG1 THR A 72 -8.882 24.058 6.418 1.00 35.31 O ATOM 1017 CG2 THR A 72 -9.400 26.097 7.604 1.00 74.42 C ATOM 0 H THR A 72 -9.605 21.902 8.009 1.00 12.12 H new ATOM 0 HA THR A 72 -10.014 24.466 9.353 1.00 44.03 H new ATOM 0 HB THR A 72 -10.797 24.807 6.633 1.00 30.30 H new ATOM 0 HG1 THR A 72 -8.692 24.601 5.624 1.00 35.31 H new ATOM 0 HG21 THR A 72 -9.188 26.675 6.705 1.00 74.42 H new ATOM 0 HG22 THR A 72 -10.174 26.599 8.184 1.00 74.42 H new ATOM 0 HG23 THR A 72 -8.494 26.014 8.204 1.00 74.42 H new ATOM 1025 N LEU A 73 -12.300 23.453 9.582 1.00 23.44 N ATOM 1026 CA LEU A 73 -13.703 23.066 9.680 1.00 23.31 C ATOM 1027 C LEU A 73 -14.470 24.020 10.591 1.00 31.44 C ATOM 1028 O LEU A 73 -13.876 24.731 11.401 1.00 13.52 O ATOM 1029 CB LEU A 73 -13.824 21.634 10.206 1.00 14.34 C ATOM 1030 CG LEU A 73 -15.172 20.949 9.987 1.00 22.23 C ATOM 1031 CD1 LEU A 73 -14.974 19.517 9.515 1.00 2.34 C ATOM 1032 CD2 LEU A 73 -16.000 20.981 11.264 1.00 52.52 C ATOM 0 H LEU A 73 -11.877 23.733 10.467 1.00 23.44 H new ATOM 0 HA LEU A 73 -14.137 23.118 8.682 1.00 23.31 H new ATOM 0 HB2 LEU A 73 -13.051 21.028 9.733 1.00 14.34 H new ATOM 0 HB3 LEU A 73 -13.613 21.642 11.275 1.00 14.34 H new ATOM 0 HG LEU A 73 -15.712 21.493 9.212 1.00 22.23 H new ATOM 0 HD11 LEU A 73 -15.945 19.046 9.365 1.00 2.34 H new ATOM 0 HD12 LEU A 73 -14.421 19.517 8.576 1.00 2.34 H new ATOM 0 HD13 LEU A 73 -14.413 18.961 10.266 1.00 2.34 H new ATOM 0 HD21 LEU A 73 -16.957 20.489 11.090 1.00 52.52 H new ATOM 0 HD22 LEU A 73 -15.464 20.461 12.058 1.00 52.52 H new ATOM 0 HD23 LEU A 73 -16.173 22.016 11.560 1.00 52.52 H new ATOM 1044 N ALA A 74 -15.791 24.027 10.454 1.00 21.05 N ATOM 1045 CA ALA A 74 -16.639 24.890 11.267 1.00 63.41 C ATOM 1046 C ALA A 74 -16.691 24.405 12.712 1.00 32.51 C ATOM 1047 O ALA A 74 -16.361 23.258 13.020 1.00 43.51 O ATOM 1048 CB ALA A 74 -18.041 24.958 10.681 1.00 23.11 C ATOM 0 H ALA A 74 -16.298 23.445 9.787 1.00 21.05 H new ATOM 0 HA ALA A 74 -16.206 25.891 11.262 1.00 63.41 H new ATOM 0 HB1 ALA A 74 -18.663 25.606 11.299 1.00 23.11 H new ATOM 0 HB2 ALA A 74 -17.993 25.359 9.669 1.00 23.11 H new ATOM 0 HB3 ALA A 74 -18.473 23.958 10.655 1.00 23.11 H new ATOM 1054 N PRO A 75 -17.114 25.295 13.622 1.00 61.12 N ATOM 1055 CA PRO A 75 -17.219 24.979 15.049 1.00 43.13 C ATOM 1056 C PRO A 75 -18.345 23.995 15.345 1.00 22.13 C ATOM 1057 O PRO A 75 -18.472 23.498 16.463 1.00 40.20 O ATOM 1058 CB PRO A 75 -17.512 26.336 15.692 1.00 63.03 C ATOM 1059 CG PRO A 75 -18.154 27.136 14.611 1.00 63.31 C ATOM 1060 CD PRO A 75 -17.523 26.678 13.327 1.00 3.22 C ATOM 0 HA PRO A 75 -16.317 24.498 15.427 1.00 43.13 H new ATOM 0 HB2 PRO A 75 -18.172 26.232 16.553 1.00 63.03 H new ATOM 0 HB3 PRO A 75 -16.598 26.812 16.047 1.00 63.03 H new ATOM 0 HG2 PRO A 75 -19.232 26.976 14.595 1.00 63.31 H new ATOM 0 HG3 PRO A 75 -17.992 28.203 14.766 1.00 63.31 H new ATOM 0 HD2 PRO A 75 -18.227 26.720 12.496 1.00 3.22 H new ATOM 0 HD3 PRO A 75 -16.670 27.300 13.054 1.00 3.22 H new ATOM 1068 N GLY A 76 -19.163 23.718 14.333 1.00 22.41 N ATOM 1069 CA GLY A 76 -20.269 22.793 14.505 1.00 54.02 C ATOM 1070 C GLY A 76 -20.544 21.980 13.255 1.00 65.12 C ATOM 1071 O GLY A 76 -20.875 22.534 12.207 1.00 21.53 O ATOM 0 H GLY A 76 -19.080 24.117 13.398 1.00 22.41 H new ATOM 0 HA2 GLY A 76 -20.049 22.118 15.333 1.00 54.02 H new ATOM 0 HA3 GLY A 76 -21.166 23.350 14.777 1.00 54.02 H new ATOM 1075 N ALA A 77 -20.407 20.663 13.366 1.00 14.30 N ATOM 1076 CA ALA A 77 -20.643 19.773 12.237 1.00 4.22 C ATOM 1077 C ALA A 77 -20.453 18.314 12.638 1.00 42.41 C ATOM 1078 O ALA A 77 -20.001 18.018 13.744 1.00 40.35 O ATOM 1079 CB ALA A 77 -19.719 20.129 11.081 1.00 5.02 C ATOM 0 H ALA A 77 -20.134 20.189 14.227 1.00 14.30 H new ATOM 0 HA ALA A 77 -21.676 19.902 11.915 1.00 4.22 H new ATOM 0 HB1 ALA A 77 -19.907 19.456 10.245 1.00 5.02 H new ATOM 0 HB2 ALA A 77 -19.906 21.156 10.769 1.00 5.02 H new ATOM 0 HB3 ALA A 77 -18.682 20.030 11.401 1.00 5.02 H new ATOM 1085 N SER A 78 -20.802 17.406 11.732 1.00 72.53 N ATOM 1086 CA SER A 78 -20.674 15.977 11.994 1.00 74.23 C ATOM 1087 C SER A 78 -19.982 15.272 10.832 1.00 54.51 C ATOM 1088 O SER A 78 -20.341 15.466 9.670 1.00 74.42 O ATOM 1089 CB SER A 78 -22.051 15.356 12.235 1.00 62.51 C ATOM 1090 OG SER A 78 -23.054 16.354 12.315 1.00 62.42 O ATOM 0 H SER A 78 -21.175 17.634 10.811 1.00 72.53 H new ATOM 0 HA SER A 78 -20.064 15.850 12.889 1.00 74.23 H new ATOM 0 HB2 SER A 78 -22.287 14.663 11.428 1.00 62.51 H new ATOM 0 HB3 SER A 78 -22.036 14.777 13.158 1.00 62.51 H new ATOM 0 HG SER A 78 -23.925 15.931 12.468 1.00 62.42 H new ATOM 1096 N VAL A 79 -18.986 14.452 11.154 1.00 3.04 N ATOM 1097 CA VAL A 79 -18.243 13.716 10.138 1.00 11.04 C ATOM 1098 C VAL A 79 -18.065 12.255 10.538 1.00 50.21 C ATOM 1099 O VAL A 79 -17.368 11.945 11.504 1.00 51.51 O ATOM 1100 CB VAL A 79 -16.857 14.341 9.893 1.00 65.22 C ATOM 1101 CG1 VAL A 79 -16.987 15.637 9.105 1.00 61.43 C ATOM 1102 CG2 VAL A 79 -16.140 14.580 11.213 1.00 55.21 C ATOM 0 H VAL A 79 -18.675 14.281 12.110 1.00 3.04 H new ATOM 0 HA VAL A 79 -18.826 13.770 9.219 1.00 11.04 H new ATOM 0 HB VAL A 79 -16.262 13.643 9.303 1.00 65.22 H new ATOM 0 HG11 VAL A 79 -15.998 16.064 8.941 1.00 61.43 H new ATOM 0 HG12 VAL A 79 -17.457 15.432 8.143 1.00 61.43 H new ATOM 0 HG13 VAL A 79 -17.599 16.344 9.665 1.00 61.43 H new ATOM 0 HG21 VAL A 79 -15.162 15.022 11.021 1.00 55.21 H new ATOM 0 HG22 VAL A 79 -16.730 15.258 11.830 1.00 55.21 H new ATOM 0 HG23 VAL A 79 -16.013 13.632 11.735 1.00 55.21 H new ATOM 1112 N SER A 80 -18.701 11.361 9.788 1.00 12.52 N ATOM 1113 CA SER A 80 -18.616 9.932 10.065 1.00 15.12 C ATOM 1114 C SER A 80 -17.788 9.220 9.000 1.00 13.40 C ATOM 1115 O SER A 80 -18.066 9.329 7.805 1.00 3.25 O ATOM 1116 CB SER A 80 -20.017 9.320 10.131 1.00 41.23 C ATOM 1117 OG SER A 80 -20.848 9.836 9.107 1.00 1.43 O ATOM 0 H SER A 80 -19.281 11.601 8.984 1.00 12.52 H new ATOM 0 HA SER A 80 -18.124 9.803 11.029 1.00 15.12 H new ATOM 0 HB2 SER A 80 -19.949 8.236 10.036 1.00 41.23 H new ATOM 0 HB3 SER A 80 -20.462 9.528 11.104 1.00 41.23 H new ATOM 0 HG SER A 80 -20.334 9.914 8.276 1.00 1.43 H new ATOM 1123 N PHE A 81 -16.769 8.491 9.441 1.00 15.20 N ATOM 1124 CA PHE A 81 -15.898 7.761 8.527 1.00 13.35 C ATOM 1125 C PHE A 81 -15.924 6.266 8.828 1.00 21.22 C ATOM 1126 O PHE A 81 -15.964 5.855 9.987 1.00 23.33 O ATOM 1127 CB PHE A 81 -14.464 8.287 8.624 1.00 64.23 C ATOM 1128 CG PHE A 81 -13.746 7.842 9.866 1.00 10.21 C ATOM 1129 CD1 PHE A 81 -13.042 6.648 9.885 1.00 45.44 C ATOM 1130 CD2 PHE A 81 -13.772 8.618 11.013 1.00 24.51 C ATOM 1131 CE1 PHE A 81 -12.381 6.237 11.026 1.00 53.22 C ATOM 1132 CE2 PHE A 81 -13.112 8.211 12.158 1.00 43.43 C ATOM 1133 CZ PHE A 81 -12.415 7.020 12.163 1.00 70.41 C ATOM 0 H PHE A 81 -16.526 8.390 10.426 1.00 15.20 H new ATOM 0 HA PHE A 81 -16.267 7.916 7.513 1.00 13.35 H new ATOM 0 HB2 PHE A 81 -13.903 7.954 7.751 1.00 64.23 H new ATOM 0 HB3 PHE A 81 -14.482 9.376 8.595 1.00 64.23 H new ATOM 0 HD1 PHE A 81 -13.010 6.033 8.998 1.00 45.44 H new ATOM 0 HD2 PHE A 81 -14.314 9.552 11.013 1.00 24.51 H new ATOM 0 HE1 PHE A 81 -11.838 5.304 11.029 1.00 53.22 H new ATOM 0 HE2 PHE A 81 -13.142 8.824 13.047 1.00 43.43 H new ATOM 0 HZ PHE A 81 -11.897 6.701 13.055 1.00 70.41 H new ATOM 1143 N GLY A 82 -15.901 5.455 7.774 1.00 32.43 N ATOM 1144 CA GLY A 82 -15.923 4.014 7.946 1.00 21.50 C ATOM 1145 C GLY A 82 -14.659 3.349 7.438 1.00 63.44 C ATOM 1146 O GLY A 82 -13.866 3.969 6.729 1.00 15.42 O ATOM 0 H GLY A 82 -15.868 5.770 6.805 1.00 32.43 H new ATOM 0 HA2 GLY A 82 -16.054 3.779 9.002 1.00 21.50 H new ATOM 0 HA3 GLY A 82 -16.784 3.602 7.419 1.00 21.50 H new ATOM 1150 N PHE A 83 -14.469 2.086 7.803 1.00 73.22 N ATOM 1151 CA PHE A 83 -13.290 1.338 7.382 1.00 32.23 C ATOM 1152 C PHE A 83 -13.533 -0.165 7.490 1.00 73.14 C ATOM 1153 O PHE A 83 -14.589 -0.603 7.941 1.00 71.35 O ATOM 1154 CB PHE A 83 -12.080 1.733 8.231 1.00 12.43 C ATOM 1155 CG PHE A 83 -12.088 1.128 9.605 1.00 70.20 C ATOM 1156 CD1 PHE A 83 -11.518 -0.114 9.833 1.00 21.25 C ATOM 1157 CD2 PHE A 83 -12.665 1.802 10.670 1.00 1.13 C ATOM 1158 CE1 PHE A 83 -11.525 -0.674 11.097 1.00 73.22 C ATOM 1159 CE2 PHE A 83 -12.675 1.247 11.936 1.00 55.03 C ATOM 1160 CZ PHE A 83 -12.103 0.008 12.150 1.00 53.11 C ATOM 0 H PHE A 83 -15.116 1.559 8.389 1.00 73.22 H new ATOM 0 HA PHE A 83 -13.088 1.582 6.339 1.00 32.23 H new ATOM 0 HB2 PHE A 83 -11.169 1.429 7.715 1.00 12.43 H new ATOM 0 HB3 PHE A 83 -12.049 2.819 8.321 1.00 12.43 H new ATOM 0 HD1 PHE A 83 -11.063 -0.651 9.014 1.00 21.25 H new ATOM 0 HD2 PHE A 83 -13.112 2.772 10.509 1.00 1.13 H new ATOM 0 HE1 PHE A 83 -11.079 -1.644 11.261 1.00 73.22 H new ATOM 0 HE2 PHE A 83 -13.130 1.782 12.757 1.00 55.03 H new ATOM 0 HZ PHE A 83 -12.108 -0.427 13.139 1.00 53.11 H new ATOM 1170 N ASN A 84 -12.545 -0.949 7.071 1.00 53.01 N ATOM 1171 CA ASN A 84 -12.650 -2.403 7.119 1.00 44.42 C ATOM 1172 C ASN A 84 -11.395 -3.019 7.730 1.00 0.14 C ATOM 1173 O ASN A 84 -10.281 -2.761 7.277 1.00 33.24 O ATOM 1174 CB ASN A 84 -12.876 -2.965 5.715 1.00 1.44 C ATOM 1175 CG ASN A 84 -12.478 -4.424 5.604 1.00 72.03 C ATOM 1176 OD1 ASN A 84 -12.669 -5.203 6.538 1.00 3.23 O ATOM 1177 ND2 ASN A 84 -11.918 -4.800 4.459 1.00 63.55 N ATOM 0 H ASN A 84 -11.663 -0.602 6.695 1.00 53.01 H new ATOM 0 HA ASN A 84 -13.502 -2.661 7.748 1.00 44.42 H new ATOM 0 HB2 ASN A 84 -13.927 -2.857 5.449 1.00 1.44 H new ATOM 0 HB3 ASN A 84 -12.303 -2.379 4.996 1.00 1.44 H new ATOM 0 HD21 ASN A 84 -11.627 -5.769 4.327 1.00 63.55 H new ATOM 0 HD22 ASN A 84 -11.779 -4.120 3.712 1.00 63.55 H new ATOM 1184 N GLY A 85 -11.585 -3.836 8.761 1.00 24.14 N ATOM 1185 CA GLY A 85 -10.460 -4.478 9.417 1.00 44.02 C ATOM 1186 C GLY A 85 -10.687 -5.959 9.640 1.00 1.11 C ATOM 1187 O GLY A 85 -11.826 -6.405 9.784 1.00 33.15 O ATOM 0 H GLY A 85 -12.498 -4.065 9.154 1.00 24.14 H new ATOM 0 HA2 GLY A 85 -9.563 -4.338 8.813 1.00 44.02 H new ATOM 0 HA3 GLY A 85 -10.278 -3.993 10.376 1.00 44.02 H new ATOM 1191 N SER A 86 -9.601 -6.725 9.667 1.00 61.51 N ATOM 1192 CA SER A 86 -9.687 -8.167 9.869 1.00 60.53 C ATOM 1193 C SER A 86 -9.565 -8.517 11.349 1.00 42.43 C ATOM 1194 O SER A 86 -8.494 -8.392 11.941 1.00 63.03 O ATOM 1195 CB SER A 86 -8.593 -8.881 9.073 1.00 43.32 C ATOM 1196 OG SER A 86 -9.013 -10.174 8.676 1.00 4.34 O ATOM 0 H SER A 86 -8.651 -6.371 9.552 1.00 61.51 H new ATOM 0 HA SER A 86 -10.662 -8.501 9.514 1.00 60.53 H new ATOM 0 HB2 SER A 86 -8.337 -8.292 8.192 1.00 43.32 H new ATOM 0 HB3 SER A 86 -7.690 -8.958 9.679 1.00 43.32 H new ATOM 0 HG SER A 86 -8.297 -10.609 8.168 1.00 4.34 H new ATOM 1202 N GLY A 87 -10.672 -8.957 11.940 1.00 73.05 N ATOM 1203 CA GLY A 87 -10.669 -9.318 13.346 1.00 52.42 C ATOM 1204 C GLY A 87 -12.066 -9.387 13.930 1.00 12.32 C ATOM 1205 O GLY A 87 -13.059 -9.470 13.209 1.00 42.41 O ATOM 0 H GLY A 87 -11.570 -9.070 11.470 1.00 73.05 H new ATOM 0 HA2 GLY A 87 -10.179 -10.284 13.469 1.00 52.42 H new ATOM 0 HA3 GLY A 87 -10.081 -8.589 13.904 1.00 52.42 H new ATOM 1209 N PRO A 88 -12.154 -9.355 15.268 1.00 34.01 N ATOM 1210 CA PRO A 88 -13.435 -9.415 15.978 1.00 21.21 C ATOM 1211 C PRO A 88 -14.259 -8.145 15.795 1.00 74.34 C ATOM 1212 O PRO A 88 -15.481 -8.200 15.664 1.00 70.15 O ATOM 1213 CB PRO A 88 -13.021 -9.578 17.443 1.00 40.32 C ATOM 1214 CG PRO A 88 -11.658 -8.983 17.520 1.00 11.43 C ATOM 1215 CD PRO A 88 -11.010 -9.258 16.190 1.00 63.14 C ATOM 0 HA PRO A 88 -14.069 -10.221 15.608 1.00 21.21 H new ATOM 0 HB2 PRO A 88 -13.715 -9.066 18.110 1.00 40.32 H new ATOM 0 HB3 PRO A 88 -13.012 -10.627 17.737 1.00 40.32 H new ATOM 0 HG2 PRO A 88 -11.710 -7.912 17.715 1.00 11.43 H new ATOM 0 HG3 PRO A 88 -11.084 -9.427 18.333 1.00 11.43 H new ATOM 0 HD2 PRO A 88 -10.328 -8.458 15.902 1.00 63.14 H new ATOM 0 HD3 PRO A 88 -10.429 -10.180 16.209 1.00 63.14 H new ATOM 1223 N GLY A 89 -13.581 -7.001 15.787 1.00 62.22 N ATOM 1224 CA GLY A 89 -14.267 -5.733 15.619 1.00 32.24 C ATOM 1225 C GLY A 89 -14.692 -5.125 16.941 1.00 51.34 C ATOM 1226 O GLY A 89 -15.658 -4.363 17.000 1.00 13.20 O ATOM 0 H GLY A 89 -12.569 -6.930 15.894 1.00 62.22 H new ATOM 0 HA2 GLY A 89 -13.613 -5.036 15.095 1.00 32.24 H new ATOM 0 HA3 GLY A 89 -15.145 -5.879 14.990 1.00 32.24 H new ATOM 1230 N SER A 90 -13.971 -5.461 18.005 1.00 13.11 N ATOM 1231 CA SER A 90 -14.281 -4.947 19.333 1.00 73.34 C ATOM 1232 C SER A 90 -13.181 -4.010 19.824 1.00 24.23 C ATOM 1233 O SER A 90 -12.351 -4.369 20.659 1.00 13.41 O ATOM 1234 CB SER A 90 -14.462 -6.101 20.321 1.00 73.21 C ATOM 1235 OG SER A 90 -15.579 -6.900 19.973 1.00 64.35 O ATOM 0 H SER A 90 -13.167 -6.088 17.973 1.00 13.11 H new ATOM 0 HA SER A 90 -15.212 -4.384 19.269 1.00 73.34 H new ATOM 0 HB2 SER A 90 -13.562 -6.716 20.336 1.00 73.21 H new ATOM 0 HB3 SER A 90 -14.594 -5.705 21.328 1.00 73.21 H new ATOM 0 HG SER A 90 -15.672 -7.631 20.619 1.00 64.35 H new ATOM 1241 N PRO A 91 -13.175 -2.778 19.293 1.00 71.41 N ATOM 1242 CA PRO A 91 -12.184 -1.762 19.661 1.00 22.40 C ATOM 1243 C PRO A 91 -12.377 -1.255 21.086 1.00 42.14 C ATOM 1244 O PRO A 91 -13.461 -1.374 21.657 1.00 33.21 O ATOM 1245 CB PRO A 91 -12.437 -0.639 18.654 1.00 42.25 C ATOM 1246 CG PRO A 91 -13.862 -0.803 18.251 1.00 73.42 C ATOM 1247 CD PRO A 91 -14.135 -2.281 18.293 1.00 43.22 C ATOM 0 HA PRO A 91 -11.168 -2.155 19.635 1.00 22.40 H new ATOM 0 HB2 PRO A 91 -12.262 0.340 19.101 1.00 42.25 H new ATOM 0 HB3 PRO A 91 -11.771 -0.721 17.795 1.00 42.25 H new ATOM 0 HG2 PRO A 91 -14.524 -0.264 18.929 1.00 73.42 H new ATOM 0 HG3 PRO A 91 -14.034 -0.402 17.252 1.00 73.42 H new ATOM 0 HD2 PRO A 91 -15.164 -2.491 18.585 1.00 43.22 H new ATOM 0 HD3 PRO A 91 -13.978 -2.746 17.320 1.00 43.22 H new ATOM 1255 N SER A 92 -11.319 -0.685 21.655 1.00 20.13 N ATOM 1256 CA SER A 92 -11.371 -0.161 23.015 1.00 33.14 C ATOM 1257 C SER A 92 -10.462 1.055 23.164 1.00 22.41 C ATOM 1258 O SER A 92 -9.733 1.414 22.241 1.00 74.14 O ATOM 1259 CB SER A 92 -10.963 -1.243 24.017 1.00 31.23 C ATOM 1260 OG SER A 92 -10.988 -2.527 23.419 1.00 32.14 O ATOM 0 H SER A 92 -10.415 -0.574 21.195 1.00 20.13 H new ATOM 0 HA SER A 92 -12.396 0.146 23.220 1.00 33.14 H new ATOM 0 HB2 SER A 92 -9.962 -1.034 24.395 1.00 31.23 H new ATOM 0 HB3 SER A 92 -11.638 -1.224 24.873 1.00 31.23 H new ATOM 0 HG SER A 92 -10.722 -3.201 24.079 1.00 32.14 H new ATOM 1266 N ASN A 93 -10.515 1.684 24.333 1.00 70.14 N ATOM 1267 CA ASN A 93 -9.698 2.862 24.605 1.00 15.41 C ATOM 1268 C ASN A 93 -9.863 3.905 23.503 1.00 34.41 C ATOM 1269 O ASN A 93 -8.910 4.231 22.794 1.00 32.20 O ATOM 1270 CB ASN A 93 -8.224 2.467 24.731 1.00 40.11 C ATOM 1271 CG ASN A 93 -7.934 1.723 26.019 1.00 74.32 C ATOM 1272 OD1 ASN A 93 -7.976 0.493 26.062 1.00 50.42 O ATOM 1273 ND2 ASN A 93 -7.636 2.467 27.078 1.00 61.40 N ATOM 0 H ASN A 93 -11.115 1.398 25.107 1.00 70.14 H new ATOM 0 HA ASN A 93 -10.034 3.297 25.546 1.00 15.41 H new ATOM 0 HB2 ASN A 93 -7.944 1.842 23.883 1.00 40.11 H new ATOM 0 HB3 ASN A 93 -7.605 3.363 24.685 1.00 40.11 H new ATOM 0 HD21 ASN A 93 -7.430 2.022 27.972 1.00 61.40 H new ATOM 0 HD22 ASN A 93 -7.613 3.484 26.997 1.00 61.40 H new ATOM 1280 N CYS A 94 -11.078 4.424 23.366 1.00 54.14 N ATOM 1281 CA CYS A 94 -11.369 5.431 22.352 1.00 31.33 C ATOM 1282 C CYS A 94 -10.974 6.822 22.836 1.00 32.12 C ATOM 1283 O CYS A 94 -11.357 7.243 23.928 1.00 21.14 O ATOM 1284 CB CYS A 94 -12.856 5.406 21.992 1.00 15.54 C ATOM 1285 SG CYS A 94 -13.960 5.690 23.395 1.00 44.41 S ATOM 0 H CYS A 94 -11.877 4.164 23.944 1.00 54.14 H new ATOM 0 HA CYS A 94 -10.783 5.196 21.464 1.00 31.33 H new ATOM 0 HB2 CYS A 94 -13.048 6.165 21.233 1.00 15.54 H new ATOM 0 HB3 CYS A 94 -13.095 4.441 21.545 1.00 15.54 H new ATOM 0 HG CYS A 94 -13.400 6.517 24.227 1.00 44.41 H new ATOM 1291 N LYS A 95 -10.204 7.530 22.017 1.00 74.41 N ATOM 1292 CA LYS A 95 -9.754 8.874 22.361 1.00 32.12 C ATOM 1293 C LYS A 95 -9.514 9.706 21.105 1.00 21.34 C ATOM 1294 O LYS A 95 -9.054 9.189 20.085 1.00 40.14 O ATOM 1295 CB LYS A 95 -8.472 8.808 23.195 1.00 45.24 C ATOM 1296 CG LYS A 95 -7.316 8.131 22.480 1.00 23.23 C ATOM 1297 CD LYS A 95 -7.204 6.665 22.866 1.00 0.54 C ATOM 1298 CE LYS A 95 -6.104 6.441 23.892 1.00 40.35 C ATOM 1299 NZ LYS A 95 -6.381 7.159 25.167 1.00 32.24 N ATOM 0 H LYS A 95 -9.878 7.196 21.110 1.00 74.41 H new ATOM 0 HA LYS A 95 -10.538 9.353 22.948 1.00 32.12 H new ATOM 0 HB2 LYS A 95 -8.175 9.820 23.471 1.00 45.24 H new ATOM 0 HB3 LYS A 95 -8.679 8.273 24.122 1.00 45.24 H new ATOM 0 HG2 LYS A 95 -7.454 8.215 21.402 1.00 23.23 H new ATOM 0 HG3 LYS A 95 -6.386 8.644 22.723 1.00 23.23 H new ATOM 0 HD2 LYS A 95 -8.156 6.320 23.270 1.00 0.54 H new ATOM 0 HD3 LYS A 95 -7.001 6.068 21.977 1.00 0.54 H new ATOM 0 HE2 LYS A 95 -6.004 5.374 24.090 1.00 40.35 H new ATOM 0 HE3 LYS A 95 -5.152 6.780 23.484 1.00 40.35 H new ATOM 0 HZ1 LYS A 95 -5.653 6.914 25.868 1.00 32.24 H new ATOM 0 HZ2 LYS A 95 -6.367 8.185 24.998 1.00 32.24 H new ATOM 0 HZ3 LYS A 95 -7.316 6.880 25.526 1.00 32.24 H new ATOM 1313 N LEU A 96 -9.826 10.994 21.186 1.00 4.01 N ATOM 1314 CA LEU A 96 -9.643 11.897 20.055 1.00 60.35 C ATOM 1315 C LEU A 96 -9.339 13.313 20.533 1.00 72.35 C ATOM 1316 O LEU A 96 -9.681 13.687 21.655 1.00 35.01 O ATOM 1317 CB LEU A 96 -10.892 11.902 19.173 1.00 43.44 C ATOM 1318 CG LEU A 96 -12.220 12.153 19.890 1.00 14.41 C ATOM 1319 CD1 LEU A 96 -12.439 13.642 20.101 1.00 25.10 C ATOM 1320 CD2 LEU A 96 -13.373 11.547 19.103 1.00 63.11 C ATOM 0 H LEU A 96 -10.207 11.437 22.022 1.00 4.01 H new ATOM 0 HA LEU A 96 -8.795 11.540 19.471 1.00 60.35 H new ATOM 0 HB2 LEU A 96 -10.767 12.665 18.405 1.00 43.44 H new ATOM 0 HB3 LEU A 96 -10.954 10.942 18.661 1.00 43.44 H new ATOM 0 HG LEU A 96 -12.181 11.671 20.867 1.00 14.41 H new ATOM 0 HD11 LEU A 96 -13.388 13.801 20.612 1.00 25.10 H new ATOM 0 HD12 LEU A 96 -11.628 14.047 20.707 1.00 25.10 H new ATOM 0 HD13 LEU A 96 -12.458 14.147 19.135 1.00 25.10 H new ATOM 0 HD21 LEU A 96 -14.310 11.735 19.627 1.00 63.11 H new ATOM 0 HD22 LEU A 96 -13.415 11.999 18.112 1.00 63.11 H new ATOM 0 HD23 LEU A 96 -13.221 10.472 19.005 1.00 63.11 H new ATOM 1332 N ASN A 97 -8.696 14.097 19.675 1.00 41.34 N ATOM 1333 CA ASN A 97 -8.348 15.474 20.009 1.00 35.41 C ATOM 1334 C ASN A 97 -7.309 15.516 21.125 1.00 54.44 C ATOM 1335 O ASN A 97 -7.396 16.335 22.039 1.00 3.22 O ATOM 1336 CB ASN A 97 -9.597 16.250 20.430 1.00 51.03 C ATOM 1337 CG ASN A 97 -9.609 17.666 19.886 1.00 61.51 C ATOM 1338 OD1 ASN A 97 -9.253 18.615 20.585 1.00 11.34 O ATOM 1339 ND2 ASN A 97 -10.021 17.813 18.633 1.00 4.01 N ATOM 0 H ASN A 97 -8.405 13.803 18.743 1.00 41.34 H new ATOM 0 HA ASN A 97 -7.921 15.941 19.121 1.00 35.41 H new ATOM 0 HB2 ASN A 97 -10.484 15.722 20.081 1.00 51.03 H new ATOM 0 HB3 ASN A 97 -9.652 16.281 21.518 1.00 51.03 H new ATOM 0 HD21 ASN A 97 -10.052 18.742 18.212 1.00 4.01 H new ATOM 0 HD22 ASN A 97 -10.307 16.997 18.091 1.00 4.01 H new ATOM 1346 N GLY A 98 -6.324 14.627 21.043 1.00 12.13 N ATOM 1347 CA GLY A 98 -5.281 14.579 22.051 1.00 62.34 C ATOM 1348 C GLY A 98 -5.783 14.048 23.380 1.00 53.31 C ATOM 1349 O GLY A 98 -5.439 14.574 24.437 1.00 71.11 O ATOM 0 H GLY A 98 -6.230 13.939 20.296 1.00 12.13 H new ATOM 0 HA2 GLY A 98 -4.466 13.949 21.696 1.00 62.34 H new ATOM 0 HA3 GLY A 98 -4.872 15.579 22.194 1.00 62.34 H new ATOM 1353 N GLY A 99 -6.602 13.002 23.325 1.00 74.41 N ATOM 1354 CA GLY A 99 -7.140 12.417 24.540 1.00 0.03 C ATOM 1355 C GLY A 99 -8.401 13.116 25.009 1.00 73.30 C ATOM 1356 O GLY A 99 -8.387 13.831 26.011 1.00 52.43 O ATOM 0 H GLY A 99 -6.902 12.549 22.462 1.00 74.41 H new ATOM 0 HA2 GLY A 99 -7.355 11.362 24.368 1.00 0.03 H new ATOM 0 HA3 GLY A 99 -6.387 12.465 25.327 1.00 0.03 H new ATOM 1360 N SER A 100 -9.496 12.909 24.284 1.00 33.23 N ATOM 1361 CA SER A 100 -10.770 13.528 24.629 1.00 52.22 C ATOM 1362 C SER A 100 -11.936 12.726 24.057 1.00 50.50 C ATOM 1363 O SER A 100 -12.214 12.783 22.858 1.00 53.42 O ATOM 1364 CB SER A 100 -10.820 14.965 24.108 1.00 40.21 C ATOM 1365 OG SER A 100 -10.831 15.895 25.177 1.00 55.30 O ATOM 0 H SER A 100 -9.526 12.317 23.454 1.00 33.23 H new ATOM 0 HA SER A 100 -10.858 13.540 25.715 1.00 52.22 H new ATOM 0 HB2 SER A 100 -9.959 15.153 23.467 1.00 40.21 H new ATOM 0 HB3 SER A 100 -11.710 15.102 23.494 1.00 40.21 H new ATOM 0 HG SER A 100 -10.861 16.806 24.818 1.00 55.30 H new ATOM 1371 N CYS A 101 -12.614 11.981 24.923 1.00 13.42 N ATOM 1372 CA CYS A 101 -13.749 11.167 24.504 1.00 44.15 C ATOM 1373 C CYS A 101 -14.553 10.693 25.712 1.00 53.24 C ATOM 1374 O CYS A 101 -14.069 9.900 26.518 1.00 74.53 O ATOM 1375 CB CYS A 101 -13.269 9.963 23.693 1.00 4.33 C ATOM 1376 SG CYS A 101 -14.555 9.199 22.676 1.00 11.41 S ATOM 0 H CYS A 101 -12.398 11.924 25.918 1.00 13.42 H new ATOM 0 HA CYS A 101 -14.395 11.783 23.878 1.00 44.15 H new ATOM 0 HB2 CYS A 101 -12.449 10.277 23.047 1.00 4.33 H new ATOM 0 HB3 CYS A 101 -12.868 9.214 24.376 1.00 4.33 H new ATOM 0 HG CYS A 101 -14.498 7.907 22.804 1.00 11.41 H new