USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 753 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 101 TYR OH : rot 147:sc= 0.341 USER MOD Set 1.2: A 108 ASN : amide:sc= -19.2! C(o=-19!,f=-25!) USER MOD Set 2.1: A 14 ASN :FLIP amide:sc= -6.59! C(o=-7.7!,f=-7!) USER MOD Set 2.2: A 104 THR OG1 : rot -47:sc= -0.404 USER MOD Set 3.1: A 21 SER OG : rot 105:sc= -0.306 USER MOD Set 3.2: A 102 GLN : amide:sc= -0.0727 K(o=-0.38,f=-3.4!) USER MOD Set 4.1: A 27 SER OG : rot -50:sc= 0.182 USER MOD Set 4.2: A 28 ASN : amide:sc=-0.00614 K(o=0.18,f=-1.7!) USER MOD Set 5.1: A 20 ASN : amide:sc= 0.0671 X(o=0.15,f=-0.24) USER MOD Set 5.2: A 24 SER OG : rot 124:sc= 0.0792 USER MOD Set 6.1: A 12 LYS NZ :NH3+ 180:sc=-0.00179 (180deg=0) USER MOD Set 6.2: A 48 MET CE :methyl -157:sc= -8.6! (180deg=-13.5!) USER MOD Set 6.3: A 51 MET CE :methyl 162:sc= -3.76! (180deg=-4.98!) USER MOD Single : A 6 ASN : amide:sc=-0.00338 K(o=-0.0034,f=-1.3) USER MOD Single : A 7 THR OG1 : rot -132:sc= -4.86! USER MOD Single : A 10 SER OG : rot -67:sc= -0.0116 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 69:sc= 0.399 USER MOD Single : A 31 SER OG : rot 180:sc= -0.423 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 36 GLN : amide:sc= -2.7! C(o=-2.7!,f=-3.4!) USER MOD Single : A 37 MET CE :methyl -144:sc= -2.45! (180deg=-6.18!) USER MOD Single : A 39 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.1) USER MOD Single : A 40 MET CE :methyl 151:sc= -6.21! (180deg=-7.79!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 46 THR OG1 : rot 58:sc= -2.8! USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 68 MET CE :methyl -151:sc= -0.371 (180deg=-1.78!) USER MOD Single : A 72 SER OG : rot -60:sc= 1.08 USER MOD Single : A 73 SER OG : rot -140:sc= -2.22! USER MOD Single : A 76 GLN : amide:sc= 0.019 K(o=0.019,f=-1.3!) USER MOD Single : A 80 SER OG : rot 70:sc= 1.06 USER MOD Single : A 81 GLN : amide:sc= -3.43! C(o=-3.4!,f=-8.3!) USER MOD Single : A 88 THR OG1 : rot 173:sc= -1.33! USER MOD Single : A 89 THR OG1 : rot 93:sc= 0.127 USER MOD Single : A 90 ASN : amide:sc= -4.68! C(o=-4.7!,f=-5.4!) USER MOD Single : A 97 THR OG1 : rot 84:sc= -2.18! USER MOD Single : A 98 SER OG : rot 180:sc= -0.184 USER MOD Single : A 103 THR OG1 : rot -79:sc= -0.524! USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl -156:sc= -0.144 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 61 N ASN A 6 -14.459 7.787 -5.323 1.00 0.00 N ATOM 62 CA ASN A 6 -15.171 8.923 -4.673 1.00 0.00 C ATOM 63 C ASN A 6 -14.357 9.408 -3.471 1.00 0.00 C ATOM 64 O ASN A 6 -14.633 10.443 -2.897 1.00 0.00 O ATOM 65 CB ASN A 6 -16.550 8.458 -4.200 1.00 0.00 C ATOM 66 CG ASN A 6 -17.346 7.921 -5.391 1.00 0.00 C ATOM 67 OD1 ASN A 6 -17.062 8.252 -6.526 1.00 0.00 O ATOM 68 ND2 ASN A 6 -18.338 7.100 -5.181 1.00 0.00 N ATOM 0 HA ASN A 6 -15.289 9.737 -5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -16.443 7.683 -3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -17.085 9.286 -3.736 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -18.875 6.736 -5.969 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -18.577 6.822 -4.229 1.00 0.00 H new ATOM 75 N THR A 7 -13.357 8.664 -3.086 1.00 0.00 N ATOM 76 CA THR A 7 -12.525 9.076 -1.922 1.00 0.00 C ATOM 77 C THR A 7 -11.199 8.304 -1.957 1.00 0.00 C ATOM 78 O THR A 7 -11.129 7.206 -2.474 1.00 0.00 O ATOM 79 CB THR A 7 -13.293 8.782 -0.623 1.00 0.00 C ATOM 80 OG1 THR A 7 -12.827 9.642 0.404 1.00 0.00 O ATOM 81 CG2 THR A 7 -13.094 7.324 -0.197 1.00 0.00 C ATOM 0 H THR A 7 -13.080 7.787 -3.528 1.00 0.00 H new ATOM 0 HA THR A 7 -12.311 10.144 -1.966 1.00 0.00 H new ATOM 0 HB THR A 7 -14.355 8.953 -0.797 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.639 9.117 1.210 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.645 7.136 0.724 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.461 6.662 -0.981 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.034 7.135 -0.030 1.00 0.00 H new ATOM 89 N PRO A 8 -10.128 8.893 -1.405 1.00 0.00 N ATOM 90 CA PRO A 8 -8.803 8.260 -1.385 1.00 0.00 C ATOM 91 C PRO A 8 -8.755 7.017 -0.490 1.00 0.00 C ATOM 92 O PRO A 8 -7.964 6.123 -0.709 1.00 0.00 O ATOM 93 CB PRO A 8 -7.893 9.352 -0.820 1.00 0.00 C ATOM 94 CG PRO A 8 -8.805 10.223 -0.027 1.00 0.00 C ATOM 95 CD PRO A 8 -10.117 10.217 -0.756 1.00 0.00 C ATOM 0 HA PRO A 8 -8.512 7.908 -2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.106 8.929 -0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.403 9.912 -1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.921 9.845 0.989 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.407 11.235 0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.958 10.340 -0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.178 11.025 -1.485 1.00 0.00 H new ATOM 103 N TRP A 9 -9.586 6.945 0.516 1.00 0.00 N ATOM 104 CA TRP A 9 -9.556 5.747 1.403 1.00 0.00 C ATOM 105 C TRP A 9 -10.559 4.704 0.902 1.00 0.00 C ATOM 106 O TRP A 9 -10.905 3.779 1.606 1.00 0.00 O ATOM 107 CB TRP A 9 -9.896 6.143 2.843 1.00 0.00 C ATOM 108 CG TRP A 9 -11.234 6.807 2.891 1.00 0.00 C ATOM 109 CD1 TRP A 9 -12.413 6.161 3.038 1.00 0.00 C ATOM 110 CD2 TRP A 9 -11.551 8.226 2.809 1.00 0.00 C ATOM 111 NE1 TRP A 9 -13.435 7.094 3.046 1.00 0.00 N ATOM 112 CE2 TRP A 9 -12.954 8.380 2.907 1.00 0.00 C ATOM 113 CE3 TRP A 9 -10.764 9.381 2.656 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -13.555 9.639 2.857 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -11.366 10.649 2.607 1.00 0.00 C ATOM 116 CH2 TRP A 9 -12.758 10.778 2.706 1.00 0.00 C ATOM 0 H TRP A 9 -10.276 7.655 0.760 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.553 5.321 1.383 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.897 5.259 3.481 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.133 6.817 3.233 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -12.537 5.092 3.133 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -14.423 6.860 3.143 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -9.691 9.293 2.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -14.628 9.733 2.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -10.752 11.530 2.492 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -13.215 11.756 2.666 1.00 0.00 H new ATOM 127 N SER A 10 -11.020 4.834 -0.311 1.00 0.00 N ATOM 128 CA SER A 10 -11.984 3.831 -0.845 1.00 0.00 C ATOM 129 C SER A 10 -11.259 2.924 -1.839 1.00 0.00 C ATOM 130 O SER A 10 -11.671 1.811 -2.096 1.00 0.00 O ATOM 131 CB SER A 10 -13.137 4.544 -1.552 1.00 0.00 C ATOM 132 OG SER A 10 -12.621 5.368 -2.587 1.00 0.00 O ATOM 0 H SER A 10 -10.773 5.587 -0.953 1.00 0.00 H new ATOM 0 HA SER A 10 -12.384 3.236 -0.024 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.831 3.813 -1.967 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.698 5.147 -0.838 1.00 0.00 H new ATOM 0 HG SER A 10 -12.103 6.101 -2.194 1.00 0.00 H new ATOM 138 N SER A 11 -10.178 3.397 -2.400 1.00 0.00 N ATOM 139 CA SER A 11 -9.421 2.569 -3.377 1.00 0.00 C ATOM 140 C SER A 11 -8.086 2.155 -2.757 1.00 0.00 C ATOM 141 O SER A 11 -7.622 2.749 -1.804 1.00 0.00 O ATOM 142 CB SER A 11 -9.168 3.386 -4.648 1.00 0.00 C ATOM 143 OG SER A 11 -10.179 3.102 -5.609 1.00 0.00 O ATOM 0 H SER A 11 -9.788 4.323 -2.222 1.00 0.00 H new ATOM 0 HA SER A 11 -9.997 1.679 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.164 4.450 -4.413 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.186 3.146 -5.057 1.00 0.00 H new ATOM 0 HG SER A 11 -10.016 3.627 -6.420 1.00 0.00 H new ATOM 149 N LYS A 12 -7.468 1.137 -3.285 1.00 0.00 N ATOM 150 CA LYS A 12 -6.166 0.677 -2.723 1.00 0.00 C ATOM 151 C LYS A 12 -5.050 1.645 -3.124 1.00 0.00 C ATOM 152 O LYS A 12 -4.180 1.963 -2.338 1.00 0.00 O ATOM 153 CB LYS A 12 -5.846 -0.714 -3.267 1.00 0.00 C ATOM 154 CG LYS A 12 -4.927 -1.450 -2.289 1.00 0.00 C ATOM 155 CD LYS A 12 -4.738 -2.899 -2.749 1.00 0.00 C ATOM 156 CE LYS A 12 -3.980 -2.921 -4.079 1.00 0.00 C ATOM 157 NZ LYS A 12 -2.515 -2.855 -3.818 1.00 0.00 N ATOM 0 H LYS A 12 -7.808 0.601 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.237 0.644 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.767 -1.279 -3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.365 -0.632 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.962 -0.947 -2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.355 -1.429 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.187 -3.461 -1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.707 -3.384 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.221 -3.829 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.288 -2.079 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.000 -2.870 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.293 -1.977 -3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.228 -3.672 -3.242 1.00 0.00 H new ATOM 171 N ALA A 13 -5.062 2.111 -4.343 1.00 0.00 N ATOM 172 CA ALA A 13 -3.992 3.050 -4.792 1.00 0.00 C ATOM 173 C ALA A 13 -4.343 4.475 -4.363 1.00 0.00 C ATOM 174 O ALA A 13 -3.474 5.284 -4.099 1.00 0.00 O ATOM 175 CB ALA A 13 -3.871 2.994 -6.317 1.00 0.00 C ATOM 0 H ALA A 13 -5.764 1.883 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.044 2.759 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.090 3.680 -6.645 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.617 1.980 -6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.820 3.283 -6.768 1.00 0.00 H new ATOM 181 N ASN A 14 -5.605 4.792 -4.292 1.00 0.00 N ATOM 182 CA ASN A 14 -6.001 6.169 -3.882 1.00 0.00 C ATOM 183 C ASN A 14 -5.724 6.361 -2.389 1.00 0.00 C ATOM 184 O ASN A 14 -5.463 7.456 -1.934 1.00 0.00 O ATOM 185 CB ASN A 14 -7.492 6.384 -4.155 1.00 0.00 C ATOM 186 CG ASN A 14 -7.711 7.800 -4.689 1.00 0.00 C ATOM 187 OD1 ASN A 14 -8.833 8.093 -5.289 1.00 0.00 O flip ATOM 188 ND2 ASN A 14 -6.852 8.649 -4.561 1.00 0.00 N flip ATOM 0 H ASN A 14 -6.378 4.160 -4.499 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.422 6.892 -4.456 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.850 5.651 -4.878 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.066 6.236 -3.240 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.975 8.421 -4.092 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.007 9.590 -4.922 1.00 0.00 H new ATOM 195 N ALA A 15 -5.787 5.308 -1.621 1.00 0.00 N ATOM 196 CA ALA A 15 -5.536 5.442 -0.158 1.00 0.00 C ATOM 197 C ALA A 15 -4.045 5.669 0.104 1.00 0.00 C ATOM 198 O ALA A 15 -3.666 6.545 0.854 1.00 0.00 O ATOM 199 CB ALA A 15 -5.993 4.169 0.558 1.00 0.00 C ATOM 0 H ALA A 15 -6.001 4.364 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.096 6.297 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.809 4.267 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.058 4.017 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.437 3.315 0.171 1.00 0.00 H new ATOM 205 N ASP A 16 -3.201 4.881 -0.496 1.00 0.00 N ATOM 206 CA ASP A 16 -1.736 5.045 -0.268 1.00 0.00 C ATOM 207 C ASP A 16 -1.302 6.472 -0.624 1.00 0.00 C ATOM 208 O ASP A 16 -0.625 7.130 0.141 1.00 0.00 O ATOM 209 CB ASP A 16 -0.964 4.035 -1.126 1.00 0.00 C ATOM 210 CG ASP A 16 -0.902 4.519 -2.577 1.00 0.00 C ATOM 211 OD1 ASP A 16 -0.102 5.398 -2.853 1.00 0.00 O ATOM 212 OD2 ASP A 16 -1.655 4.004 -3.385 1.00 0.00 O ATOM 0 H ASP A 16 -3.460 4.129 -1.135 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.518 4.864 0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.045 3.908 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.449 3.060 -1.080 1.00 0.00 H new ATOM 217 N ALA A 17 -1.681 6.959 -1.775 1.00 0.00 N ATOM 218 CA ALA A 17 -1.281 8.340 -2.164 1.00 0.00 C ATOM 219 C ALA A 17 -1.723 9.322 -1.077 1.00 0.00 C ATOM 220 O ALA A 17 -1.007 10.241 -0.730 1.00 0.00 O ATOM 221 CB ALA A 17 -1.946 8.712 -3.491 1.00 0.00 C ATOM 0 H ALA A 17 -2.249 6.461 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.198 8.386 -2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.652 9.723 -3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.631 8.012 -4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.029 8.666 -3.380 1.00 0.00 H new ATOM 227 N PHE A 18 -2.897 9.136 -0.537 1.00 0.00 N ATOM 228 CA PHE A 18 -3.382 10.059 0.528 1.00 0.00 C ATOM 229 C PHE A 18 -2.434 9.994 1.726 1.00 0.00 C ATOM 230 O PHE A 18 -2.005 11.005 2.246 1.00 0.00 O ATOM 231 CB PHE A 18 -4.787 9.639 0.965 1.00 0.00 C ATOM 232 CG PHE A 18 -5.323 10.637 1.966 1.00 0.00 C ATOM 233 CD1 PHE A 18 -5.936 11.815 1.522 1.00 0.00 C ATOM 234 CD2 PHE A 18 -5.206 10.384 3.337 1.00 0.00 C ATOM 235 CE1 PHE A 18 -6.431 12.738 2.449 1.00 0.00 C ATOM 236 CE2 PHE A 18 -5.703 11.308 4.265 1.00 0.00 C ATOM 237 CZ PHE A 18 -6.314 12.485 3.820 1.00 0.00 C ATOM 0 H PHE A 18 -3.541 8.385 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.412 11.078 0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.448 9.585 0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.759 8.643 1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.027 12.011 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.732 9.476 3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.904 13.647 2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.615 11.112 5.323 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.696 13.199 4.535 1.00 0.00 H new ATOM 247 N ILE A 19 -2.103 8.813 2.170 1.00 0.00 N ATOM 248 CA ILE A 19 -1.181 8.689 3.335 1.00 0.00 C ATOM 249 C ILE A 19 0.164 9.329 2.987 1.00 0.00 C ATOM 250 O ILE A 19 0.738 10.057 3.772 1.00 0.00 O ATOM 251 CB ILE A 19 -0.971 7.209 3.667 1.00 0.00 C ATOM 252 CG1 ILE A 19 -2.325 6.499 3.728 1.00 0.00 C ATOM 253 CG2 ILE A 19 -0.270 7.085 5.022 1.00 0.00 C ATOM 254 CD1 ILE A 19 -3.268 7.270 4.653 1.00 0.00 C ATOM 0 H ILE A 19 -2.430 7.930 1.778 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.614 9.195 4.198 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.355 6.749 2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.756 6.429 2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.196 5.479 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.120 6.032 5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.696 7.588 4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.886 7.547 5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.232 6.763 4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.838 7.317 5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.407 8.281 4.270 1.00 0.00 H new ATOM 266 N ASN A 20 0.670 9.063 1.814 1.00 0.00 N ATOM 267 CA ASN A 20 1.977 9.652 1.411 1.00 0.00 C ATOM 268 C ASN A 20 1.817 11.163 1.223 1.00 0.00 C ATOM 269 O ASN A 20 2.570 11.948 1.765 1.00 0.00 O ATOM 270 CB ASN A 20 2.430 8.992 0.099 1.00 0.00 C ATOM 271 CG ASN A 20 3.295 9.951 -0.727 1.00 0.00 C ATOM 272 OD1 ASN A 20 4.289 10.459 -0.248 1.00 0.00 O ATOM 273 ND2 ASN A 20 2.951 10.219 -1.958 1.00 0.00 N ATOM 0 H ASN A 20 0.233 8.461 1.116 1.00 0.00 H new ATOM 0 HA ASN A 20 2.727 9.475 2.182 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.994 8.086 0.319 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.558 8.691 -0.481 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.517 10.856 -2.519 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.116 9.792 -2.359 1.00 0.00 H new ATOM 280 N SER A 21 0.842 11.576 0.465 1.00 0.00 N ATOM 281 CA SER A 21 0.639 13.033 0.252 1.00 0.00 C ATOM 282 C SER A 21 0.483 13.712 1.613 1.00 0.00 C ATOM 283 O SER A 21 0.827 14.863 1.790 1.00 0.00 O ATOM 284 CB SER A 21 -0.624 13.257 -0.581 1.00 0.00 C ATOM 285 OG SER A 21 -0.865 14.650 -0.712 1.00 0.00 O ATOM 0 H SER A 21 0.178 10.968 -0.015 1.00 0.00 H new ATOM 0 HA SER A 21 1.494 13.454 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.508 12.803 -1.565 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.477 12.773 -0.105 1.00 0.00 H new ATOM 0 HG SER A 21 -0.620 14.941 -1.615 1.00 0.00 H new ATOM 291 N PHE A 22 -0.041 13.002 2.573 1.00 0.00 N ATOM 292 CA PHE A 22 -0.229 13.599 3.924 1.00 0.00 C ATOM 293 C PHE A 22 1.125 13.755 4.622 1.00 0.00 C ATOM 294 O PHE A 22 1.463 14.813 5.111 1.00 0.00 O ATOM 295 CB PHE A 22 -1.127 12.687 4.763 1.00 0.00 C ATOM 296 CG PHE A 22 -1.168 13.202 6.181 1.00 0.00 C ATOM 297 CD1 PHE A 22 -0.182 12.814 7.095 1.00 0.00 C ATOM 298 CD2 PHE A 22 -2.191 14.068 6.580 1.00 0.00 C ATOM 299 CE1 PHE A 22 -0.217 13.295 8.409 1.00 0.00 C ATOM 300 CE2 PHE A 22 -2.228 14.549 7.894 1.00 0.00 C ATOM 301 CZ PHE A 22 -1.241 14.162 8.810 1.00 0.00 C ATOM 0 H PHE A 22 -0.347 12.034 2.480 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.693 14.580 3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.133 12.661 4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.747 11.666 4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.606 12.143 6.786 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.952 14.366 5.874 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.546 12.998 9.114 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.018 15.219 8.202 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.270 14.532 9.824 1.00 0.00 H new ATOM 311 N ILE A 23 1.896 12.704 4.682 1.00 0.00 N ATOM 312 CA ILE A 23 3.222 12.788 5.360 1.00 0.00 C ATOM 313 C ILE A 23 4.101 13.832 4.669 1.00 0.00 C ATOM 314 O ILE A 23 4.586 14.758 5.289 1.00 0.00 O ATOM 315 CB ILE A 23 3.912 11.426 5.289 1.00 0.00 C ATOM 316 CG1 ILE A 23 3.040 10.373 5.974 1.00 0.00 C ATOM 317 CG2 ILE A 23 5.268 11.503 5.996 1.00 0.00 C ATOM 318 CD1 ILE A 23 3.681 8.994 5.807 1.00 0.00 C ATOM 0 H ILE A 23 1.666 11.790 4.291 1.00 0.00 H new ATOM 0 HA ILE A 23 3.072 13.077 6.400 1.00 0.00 H new ATOM 0 HB ILE A 23 4.061 11.150 4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.930 10.609 7.032 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.040 10.376 5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.760 10.532 5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.891 12.252 5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.119 11.780 7.040 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.060 8.243 6.295 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.768 8.759 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.672 8.996 6.261 1.00 0.00 H new ATOM 330 N SER A 24 4.319 13.687 3.391 1.00 0.00 N ATOM 331 CA SER A 24 5.177 14.668 2.667 1.00 0.00 C ATOM 332 C SER A 24 4.574 16.071 2.779 1.00 0.00 C ATOM 333 O SER A 24 5.282 17.055 2.857 1.00 0.00 O ATOM 334 CB SER A 24 5.269 14.270 1.191 1.00 0.00 C ATOM 335 OG SER A 24 5.700 12.921 1.092 1.00 0.00 O ATOM 0 H SER A 24 3.941 12.933 2.817 1.00 0.00 H new ATOM 0 HA SER A 24 6.173 14.670 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.298 14.389 0.710 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.966 14.925 0.669 1.00 0.00 H new ATOM 0 HG SER A 24 5.049 12.407 0.570 1.00 0.00 H new ATOM 341 N ALA A 25 3.274 16.173 2.780 1.00 0.00 N ATOM 342 CA ALA A 25 2.631 17.515 2.877 1.00 0.00 C ATOM 343 C ALA A 25 2.662 18.014 4.326 1.00 0.00 C ATOM 344 O ALA A 25 2.973 19.159 4.588 1.00 0.00 O ATOM 345 CB ALA A 25 1.179 17.417 2.405 1.00 0.00 C ATOM 0 H ALA A 25 2.628 15.386 2.718 1.00 0.00 H new ATOM 0 HA ALA A 25 3.178 18.217 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.707 18.397 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.155 17.076 1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.639 16.708 3.033 1.00 0.00 H new ATOM 351 N ALA A 26 2.328 17.172 5.266 1.00 0.00 N ATOM 352 CA ALA A 26 2.323 17.609 6.693 1.00 0.00 C ATOM 353 C ALA A 26 3.746 17.936 7.154 1.00 0.00 C ATOM 354 O ALA A 26 3.970 18.889 7.874 1.00 0.00 O ATOM 355 CB ALA A 26 1.758 16.486 7.565 1.00 0.00 C ATOM 0 H ALA A 26 2.058 16.201 5.109 1.00 0.00 H new ATOM 0 HA ALA A 26 1.705 18.502 6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.753 16.803 8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.740 16.258 7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.378 15.596 7.459 1.00 0.00 H new ATOM 361 N SER A 27 4.706 17.149 6.759 1.00 0.00 N ATOM 362 CA SER A 27 6.108 17.412 7.189 1.00 0.00 C ATOM 363 C SER A 27 6.533 18.823 6.770 1.00 0.00 C ATOM 364 O SER A 27 7.390 19.427 7.385 1.00 0.00 O ATOM 365 CB SER A 27 7.039 16.385 6.541 1.00 0.00 C ATOM 366 OG SER A 27 7.115 16.629 5.144 1.00 0.00 O ATOM 0 H SER A 27 4.581 16.335 6.157 1.00 0.00 H new ATOM 0 HA SER A 27 6.169 17.331 8.274 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.032 16.447 6.986 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.669 15.376 6.725 1.00 0.00 H new ATOM 0 HG SER A 27 6.210 16.705 4.775 1.00 0.00 H new ATOM 372 N ASN A 28 5.956 19.350 5.725 1.00 0.00 N ATOM 373 CA ASN A 28 6.348 20.716 5.270 1.00 0.00 C ATOM 374 C ASN A 28 5.256 21.733 5.617 1.00 0.00 C ATOM 375 O ASN A 28 5.322 22.878 5.214 1.00 0.00 O ATOM 376 CB ASN A 28 6.559 20.702 3.754 1.00 0.00 C ATOM 377 CG ASN A 28 7.783 19.849 3.415 1.00 0.00 C ATOM 378 OD1 ASN A 28 8.565 19.516 4.283 1.00 0.00 O ATOM 379 ND2 ASN A 28 7.982 19.479 2.180 1.00 0.00 N ATOM 0 H ASN A 28 5.232 18.896 5.167 1.00 0.00 H new ATOM 0 HA ASN A 28 7.270 21.003 5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.675 20.302 3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.698 21.719 3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.794 18.910 1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.325 19.759 1.452 1.00 0.00 H new ATOM 386 N THR A 29 4.251 21.340 6.348 1.00 0.00 N ATOM 387 CA THR A 29 3.171 22.309 6.691 1.00 0.00 C ATOM 388 C THR A 29 3.466 22.974 8.039 1.00 0.00 C ATOM 389 O THR A 29 3.905 24.105 8.098 1.00 0.00 O ATOM 390 CB THR A 29 1.826 21.580 6.762 1.00 0.00 C ATOM 391 OG1 THR A 29 1.658 20.788 5.596 1.00 0.00 O ATOM 392 CG2 THR A 29 0.698 22.607 6.853 1.00 0.00 C ATOM 0 H THR A 29 4.130 20.398 6.721 1.00 0.00 H new ATOM 0 HA THR A 29 3.128 23.077 5.918 1.00 0.00 H new ATOM 0 HB THR A 29 1.802 20.937 7.642 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.299 20.047 5.609 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.261 22.091 6.904 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.831 23.215 7.748 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.718 23.249 5.972 1.00 0.00 H new ATOM 400 N GLY A 30 3.223 22.289 9.122 1.00 0.00 N ATOM 401 CA GLY A 30 3.484 22.893 10.458 1.00 0.00 C ATOM 402 C GLY A 30 4.967 22.761 10.801 1.00 0.00 C ATOM 403 O GLY A 30 5.803 23.470 10.276 1.00 0.00 O ATOM 0 H GLY A 30 2.855 21.338 9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.193 23.943 10.456 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.880 22.396 11.217 1.00 0.00 H new ATOM 407 N SER A 31 5.300 21.857 11.678 1.00 0.00 N ATOM 408 CA SER A 31 6.728 21.676 12.056 1.00 0.00 C ATOM 409 C SER A 31 7.082 20.190 11.990 1.00 0.00 C ATOM 410 O SER A 31 7.933 19.780 11.226 1.00 0.00 O ATOM 411 CB SER A 31 6.948 22.190 13.480 1.00 0.00 C ATOM 412 OG SER A 31 6.402 21.265 14.408 1.00 0.00 O ATOM 0 H SER A 31 4.644 21.235 12.150 1.00 0.00 H new ATOM 0 HA SER A 31 7.362 22.235 11.368 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.013 22.325 13.669 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.477 23.165 13.603 1.00 0.00 H new ATOM 0 HG SER A 31 6.545 21.594 15.320 1.00 0.00 H new ATOM 418 N PHE A 32 6.433 19.381 12.782 1.00 0.00 N ATOM 419 CA PHE A 32 6.734 17.924 12.762 1.00 0.00 C ATOM 420 C PHE A 32 8.250 17.723 12.729 1.00 0.00 C ATOM 421 O PHE A 32 8.859 17.682 11.679 1.00 0.00 O ATOM 422 CB PHE A 32 6.105 17.293 11.516 1.00 0.00 C ATOM 423 CG PHE A 32 4.645 17.002 11.776 1.00 0.00 C ATOM 424 CD1 PHE A 32 4.273 16.265 12.907 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.664 17.462 10.887 1.00 0.00 C ATOM 426 CE1 PHE A 32 2.923 15.989 13.150 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.313 17.185 11.131 1.00 0.00 C ATOM 428 CZ PHE A 32 1.943 16.448 12.262 1.00 0.00 C ATOM 0 H PHE A 32 5.709 19.667 13.441 1.00 0.00 H new ATOM 0 HA PHE A 32 6.323 17.451 13.654 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.206 17.966 10.665 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.629 16.373 11.258 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.028 15.909 13.592 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.950 18.030 10.014 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.637 15.421 14.023 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.557 17.540 10.447 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.901 16.233 12.450 1.00 0.00 H new ATOM 438 N SER A 33 8.868 17.606 13.874 1.00 0.00 N ATOM 439 CA SER A 33 10.345 17.418 13.908 1.00 0.00 C ATOM 440 C SER A 33 10.717 16.142 13.150 1.00 0.00 C ATOM 441 O SER A 33 9.886 15.291 12.901 1.00 0.00 O ATOM 442 CB SER A 33 10.811 17.301 15.360 1.00 0.00 C ATOM 443 OG SER A 33 10.270 18.373 16.118 1.00 0.00 O ATOM 0 H SER A 33 8.413 17.633 14.786 1.00 0.00 H new ATOM 0 HA SER A 33 10.829 18.274 13.438 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.492 16.347 15.780 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.900 17.322 15.407 1.00 0.00 H new ATOM 0 HG SER A 33 10.567 18.298 17.049 1.00 0.00 H new ATOM 449 N GLN A 34 11.961 16.003 12.780 1.00 0.00 N ATOM 450 CA GLN A 34 12.385 14.783 12.038 1.00 0.00 C ATOM 451 C GLN A 34 11.945 13.541 12.813 1.00 0.00 C ATOM 452 O GLN A 34 11.445 12.589 12.246 1.00 0.00 O ATOM 453 CB GLN A 34 13.909 14.781 11.891 1.00 0.00 C ATOM 454 CG GLN A 34 14.347 16.028 11.118 1.00 0.00 C ATOM 455 CD GLN A 34 15.873 16.064 11.031 1.00 0.00 C ATOM 456 OE1 GLN A 34 16.551 15.328 11.722 1.00 0.00 O ATOM 457 NE2 GLN A 34 16.448 16.894 10.205 1.00 0.00 N ATOM 0 H GLN A 34 12.701 16.681 12.960 1.00 0.00 H new ATOM 0 HA GLN A 34 11.925 14.777 11.050 1.00 0.00 H new ATOM 0 HB2 GLN A 34 14.380 14.765 12.874 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.234 13.882 11.367 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.915 16.019 10.117 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.979 16.925 11.616 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.880 17.512 9.625 1.00 0.00 H new ATOM 0 HE22 GLN A 34 17.465 16.925 10.139 1.00 0.00 H new ATOM 466 N ASP A 35 12.123 13.544 14.105 1.00 0.00 N ATOM 467 CA ASP A 35 11.711 12.365 14.916 1.00 0.00 C ATOM 468 C ASP A 35 10.207 12.137 14.754 1.00 0.00 C ATOM 469 O ASP A 35 9.738 11.017 14.728 1.00 0.00 O ATOM 470 CB ASP A 35 12.034 12.621 16.390 1.00 0.00 C ATOM 471 CG ASP A 35 13.549 12.572 16.594 1.00 0.00 C ATOM 472 OD1 ASP A 35 14.244 12.222 15.655 1.00 0.00 O ATOM 473 OD2 ASP A 35 13.989 12.885 17.688 1.00 0.00 O ATOM 0 H ASP A 35 12.536 14.312 14.634 1.00 0.00 H new ATOM 0 HA ASP A 35 12.251 11.482 14.575 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.646 13.593 16.695 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.547 11.873 17.016 1.00 0.00 H new ATOM 478 N GLN A 36 9.445 13.192 14.644 1.00 0.00 N ATOM 479 CA GLN A 36 7.973 13.031 14.483 1.00 0.00 C ATOM 480 C GLN A 36 7.673 12.494 13.083 1.00 0.00 C ATOM 481 O GLN A 36 6.759 11.718 12.888 1.00 0.00 O ATOM 482 CB GLN A 36 7.289 14.387 14.670 1.00 0.00 C ATOM 483 CG GLN A 36 7.646 14.949 16.047 1.00 0.00 C ATOM 484 CD GLN A 36 7.195 13.966 17.131 1.00 0.00 C ATOM 485 OE1 GLN A 36 6.062 13.526 17.134 1.00 0.00 O ATOM 486 NE2 GLN A 36 8.040 13.601 18.056 1.00 0.00 N ATOM 0 H GLN A 36 9.778 14.156 14.659 1.00 0.00 H new ATOM 0 HA GLN A 36 7.597 12.331 15.229 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.607 15.078 13.889 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.208 14.278 14.578 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.721 15.116 16.116 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.164 15.915 16.194 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.991 13.971 18.053 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.750 12.946 18.782 1.00 0.00 H new ATOM 495 N MET A 37 8.440 12.898 12.106 1.00 0.00 N ATOM 496 CA MET A 37 8.200 12.406 10.720 1.00 0.00 C ATOM 497 C MET A 37 8.419 10.894 10.678 1.00 0.00 C ATOM 498 O MET A 37 7.754 10.180 9.954 1.00 0.00 O ATOM 499 CB MET A 37 9.174 13.091 9.759 1.00 0.00 C ATOM 500 CG MET A 37 8.865 14.589 9.702 1.00 0.00 C ATOM 501 SD MET A 37 9.921 15.377 8.462 1.00 0.00 S ATOM 502 CE MET A 37 9.401 17.084 8.770 1.00 0.00 C ATOM 0 H MET A 37 9.221 13.546 12.208 1.00 0.00 H new ATOM 0 HA MET A 37 7.177 12.636 10.422 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.200 12.933 10.090 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.089 12.653 8.764 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.815 14.745 9.453 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.032 15.043 10.679 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.377 17.633 7.828 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.407 17.087 9.216 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.106 17.562 9.451 1.00 0.00 H new ATOM 512 N GLU A 38 9.345 10.398 11.453 1.00 0.00 N ATOM 513 CA GLU A 38 9.604 8.931 11.460 1.00 0.00 C ATOM 514 C GLU A 38 8.356 8.198 11.955 1.00 0.00 C ATOM 515 O GLU A 38 8.009 7.143 11.465 1.00 0.00 O ATOM 516 CB GLU A 38 10.779 8.624 12.390 1.00 0.00 C ATOM 517 CG GLU A 38 12.064 9.208 11.798 1.00 0.00 C ATOM 518 CD GLU A 38 12.290 8.632 10.398 1.00 0.00 C ATOM 519 OE1 GLU A 38 11.703 7.606 10.100 1.00 0.00 O ATOM 520 OE2 GLU A 38 13.047 9.228 9.649 1.00 0.00 O ATOM 0 H GLU A 38 9.933 10.946 12.081 1.00 0.00 H new ATOM 0 HA GLU A 38 9.845 8.599 10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.595 9.048 13.377 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.882 7.547 12.520 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.993 10.295 11.748 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.912 8.973 12.441 1.00 0.00 H new ATOM 527 N ASN A 39 7.677 8.751 12.924 1.00 0.00 N ATOM 528 CA ASN A 39 6.452 8.084 13.443 1.00 0.00 C ATOM 529 C ASN A 39 5.483 7.847 12.286 1.00 0.00 C ATOM 530 O ASN A 39 4.844 6.817 12.198 1.00 0.00 O ATOM 531 CB ASN A 39 5.789 8.975 14.494 1.00 0.00 C ATOM 532 CG ASN A 39 6.746 9.172 15.672 1.00 0.00 C ATOM 533 OD1 ASN A 39 7.472 8.270 16.039 1.00 0.00 O ATOM 534 ND2 ASN A 39 6.778 10.324 16.286 1.00 0.00 N ATOM 0 H ASN A 39 7.918 9.633 13.376 1.00 0.00 H new ATOM 0 HA ASN A 39 6.719 7.130 13.899 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.529 9.939 14.057 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.860 8.520 14.838 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.412 10.465 17.072 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.169 11.083 15.979 1.00 0.00 H new ATOM 541 N MET A 40 5.376 8.790 11.393 1.00 0.00 N ATOM 542 CA MET A 40 4.455 8.620 10.235 1.00 0.00 C ATOM 543 C MET A 40 4.971 7.486 9.348 1.00 0.00 C ATOM 544 O MET A 40 4.210 6.774 8.725 1.00 0.00 O ATOM 545 CB MET A 40 4.398 9.919 9.426 1.00 0.00 C ATOM 546 CG MET A 40 3.649 10.985 10.229 1.00 0.00 C ATOM 547 SD MET A 40 3.320 12.417 9.172 1.00 0.00 S ATOM 548 CE MET A 40 5.039 12.935 8.947 1.00 0.00 C ATOM 0 H MET A 40 5.887 9.672 11.415 1.00 0.00 H new ATOM 0 HA MET A 40 3.455 8.379 10.595 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.407 10.262 9.197 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.896 9.746 8.474 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.712 10.578 10.609 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.240 11.286 11.094 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.146 13.433 7.983 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.319 13.623 9.744 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.689 12.061 8.977 1.00 0.00 H new ATOM 558 N SER A 41 6.262 7.312 9.288 1.00 0.00 N ATOM 559 CA SER A 41 6.829 6.223 8.446 1.00 0.00 C ATOM 560 C SER A 41 6.508 4.869 9.082 1.00 0.00 C ATOM 561 O SER A 41 6.482 3.853 8.418 1.00 0.00 O ATOM 562 CB SER A 41 8.347 6.391 8.338 1.00 0.00 C ATOM 563 OG SER A 41 8.645 7.703 7.881 1.00 0.00 O ATOM 0 H SER A 41 6.949 7.878 9.786 1.00 0.00 H new ATOM 0 HA SER A 41 6.390 6.271 7.449 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.813 6.217 9.308 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.758 5.652 7.650 1.00 0.00 H new ATOM 0 HG SER A 41 9.616 7.813 7.813 1.00 0.00 H new ATOM 569 N LEU A 42 6.270 4.844 10.366 1.00 0.00 N ATOM 570 CA LEU A 42 5.957 3.552 11.039 1.00 0.00 C ATOM 571 C LEU A 42 4.442 3.399 11.178 1.00 0.00 C ATOM 572 O LEU A 42 3.941 2.328 11.457 1.00 0.00 O ATOM 573 CB LEU A 42 6.601 3.527 12.427 1.00 0.00 C ATOM 574 CG LEU A 42 8.098 3.812 12.296 1.00 0.00 C ATOM 575 CD1 LEU A 42 8.763 3.696 13.670 1.00 0.00 C ATOM 576 CD2 LEU A 42 8.727 2.796 11.340 1.00 0.00 C ATOM 0 H LEU A 42 6.279 5.661 10.976 1.00 0.00 H new ATOM 0 HA LEU A 42 6.351 2.730 10.441 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.133 4.271 13.071 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.444 2.556 12.896 1.00 0.00 H new ATOM 0 HG LEU A 42 8.243 4.819 11.906 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.830 3.899 13.576 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.315 4.418 14.353 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.618 2.689 14.060 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.794 2.998 11.245 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.581 1.789 11.732 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.254 2.876 10.361 1.00 0.00 H new ATOM 588 N ILE A 43 3.705 4.458 10.987 1.00 0.00 N ATOM 589 CA ILE A 43 2.224 4.361 11.112 1.00 0.00 C ATOM 590 C ILE A 43 1.564 5.001 9.889 1.00 0.00 C ATOM 591 O ILE A 43 2.197 5.699 9.126 1.00 0.00 O ATOM 592 CB ILE A 43 1.766 5.090 12.376 1.00 0.00 C ATOM 593 CG1 ILE A 43 2.456 4.479 13.597 1.00 0.00 C ATOM 594 CG2 ILE A 43 0.250 4.945 12.520 1.00 0.00 C ATOM 595 CD1 ILE A 43 2.099 5.291 14.844 1.00 0.00 C ATOM 0 H ILE A 43 4.063 5.383 10.751 1.00 0.00 H new ATOM 0 HA ILE A 43 1.936 3.312 11.174 1.00 0.00 H new ATOM 0 HB ILE A 43 2.028 6.146 12.304 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.144 3.442 13.723 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.536 4.471 13.452 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.081 5.463 13.420 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.241 5.379 11.649 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.009 3.889 12.593 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.590 4.856 15.714 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.433 6.321 14.716 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.019 5.275 14.991 1.00 0.00 H new ATOM 607 N GLY A 44 0.295 4.765 9.700 1.00 0.00 N ATOM 608 CA GLY A 44 -0.405 5.357 8.526 1.00 0.00 C ATOM 609 C GLY A 44 0.179 4.777 7.236 1.00 0.00 C ATOM 610 O GLY A 44 -0.466 4.019 6.538 1.00 0.00 O ATOM 0 H GLY A 44 -0.287 4.188 10.307 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.473 5.145 8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.294 6.441 8.532 1.00 0.00 H new ATOM 614 N ASN A 45 1.396 5.123 6.914 1.00 0.00 N ATOM 615 CA ASN A 45 2.013 4.583 5.672 1.00 0.00 C ATOM 616 C ASN A 45 2.404 3.121 5.898 1.00 0.00 C ATOM 617 O ASN A 45 2.217 2.280 5.042 1.00 0.00 O ATOM 618 CB ASN A 45 3.258 5.397 5.318 1.00 0.00 C ATOM 619 CG ASN A 45 3.766 4.972 3.939 1.00 0.00 C ATOM 620 OD1 ASN A 45 3.097 5.174 2.944 1.00 0.00 O ATOM 621 ND2 ASN A 45 4.926 4.385 3.837 1.00 0.00 N ATOM 0 H ASN A 45 1.987 5.754 7.456 1.00 0.00 H new ATOM 0 HA ASN A 45 1.298 4.649 4.852 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.023 6.461 5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.034 5.241 6.068 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.272 4.095 2.922 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.487 4.216 4.672 1.00 0.00 H new ATOM 628 N THR A 46 2.938 2.810 7.048 1.00 0.00 N ATOM 629 CA THR A 46 3.329 1.401 7.327 1.00 0.00 C ATOM 630 C THR A 46 2.094 0.513 7.191 1.00 0.00 C ATOM 631 O THR A 46 2.169 -0.613 6.739 1.00 0.00 O ATOM 632 CB THR A 46 3.886 1.296 8.749 1.00 0.00 C ATOM 633 OG1 THR A 46 5.104 2.019 8.832 1.00 0.00 O ATOM 634 CG2 THR A 46 4.138 -0.171 9.096 1.00 0.00 C ATOM 0 H THR A 46 3.120 3.470 7.804 1.00 0.00 H new ATOM 0 HA THR A 46 4.095 1.080 6.621 1.00 0.00 H new ATOM 0 HB THR A 46 3.165 1.713 9.452 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.947 2.954 8.586 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.534 -0.242 10.109 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.202 -0.726 9.033 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.858 -0.592 8.394 1.00 0.00 H new ATOM 642 N LEU A 47 0.951 1.017 7.571 1.00 0.00 N ATOM 643 CA LEU A 47 -0.294 0.211 7.454 1.00 0.00 C ATOM 644 C LEU A 47 -0.508 -0.160 5.986 1.00 0.00 C ATOM 645 O LEU A 47 -1.054 -1.198 5.669 1.00 0.00 O ATOM 646 CB LEU A 47 -1.485 1.036 7.947 1.00 0.00 C ATOM 647 CG LEU A 47 -1.344 1.300 9.448 1.00 0.00 C ATOM 648 CD1 LEU A 47 -2.553 2.098 9.940 1.00 0.00 C ATOM 649 CD2 LEU A 47 -1.275 -0.033 10.198 1.00 0.00 C ATOM 0 H LEU A 47 0.827 1.953 7.957 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.206 -0.693 8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.535 1.980 7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.415 0.504 7.747 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.432 1.868 9.632 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.454 2.287 11.009 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.604 3.047 9.407 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.464 1.529 9.755 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.175 0.156 11.267 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.187 -0.602 10.014 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.415 -0.603 9.848 1.00 0.00 H new ATOM 661 N MET A 48 -0.079 0.685 5.088 1.00 0.00 N ATOM 662 CA MET A 48 -0.253 0.387 3.640 1.00 0.00 C ATOM 663 C MET A 48 0.404 -0.953 3.317 1.00 0.00 C ATOM 664 O MET A 48 -0.025 -1.668 2.433 1.00 0.00 O ATOM 665 CB MET A 48 0.401 1.490 2.806 1.00 0.00 C ATOM 666 CG MET A 48 -0.157 2.851 3.230 1.00 0.00 C ATOM 667 SD MET A 48 -1.939 2.893 2.921 1.00 0.00 S ATOM 668 CE MET A 48 -1.886 2.260 1.226 1.00 0.00 C ATOM 0 H MET A 48 0.385 1.569 5.296 1.00 0.00 H new ATOM 0 HA MET A 48 -1.316 0.339 3.404 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.482 1.470 2.942 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.210 1.321 1.746 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.044 3.025 4.287 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.338 3.648 2.676 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.785 2.571 0.693 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.007 2.656 0.717 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.834 1.171 1.246 1.00 0.00 H new ATOM 678 N ALA A 49 1.435 -1.306 4.033 1.00 0.00 N ATOM 679 CA ALA A 49 2.104 -2.606 3.766 1.00 0.00 C ATOM 680 C ALA A 49 1.087 -3.722 3.988 1.00 0.00 C ATOM 681 O ALA A 49 0.991 -4.655 3.218 1.00 0.00 O ATOM 682 CB ALA A 49 3.279 -2.784 4.727 1.00 0.00 C ATOM 0 H ALA A 49 1.840 -0.752 4.788 1.00 0.00 H new ATOM 0 HA ALA A 49 2.477 -2.635 2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.769 -3.738 4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.993 -1.973 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.915 -2.768 5.754 1.00 0.00 H new ATOM 688 N ALA A 50 0.312 -3.618 5.031 1.00 0.00 N ATOM 689 CA ALA A 50 -0.719 -4.654 5.298 1.00 0.00 C ATOM 690 C ALA A 50 -1.713 -4.662 4.137 1.00 0.00 C ATOM 691 O ALA A 50 -2.390 -5.639 3.888 1.00 0.00 O ATOM 692 CB ALA A 50 -1.454 -4.312 6.594 1.00 0.00 C ATOM 0 H ALA A 50 0.350 -2.858 5.710 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.251 -5.634 5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.212 -5.070 6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.743 -4.284 7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.933 -3.338 6.495 1.00 0.00 H new ATOM 698 N MET A 51 -1.799 -3.571 3.427 1.00 0.00 N ATOM 699 CA MET A 51 -2.744 -3.494 2.279 1.00 0.00 C ATOM 700 C MET A 51 -2.409 -4.591 1.267 1.00 0.00 C ATOM 701 O MET A 51 -3.274 -5.101 0.583 1.00 0.00 O ATOM 702 CB MET A 51 -2.613 -2.125 1.608 1.00 0.00 C ATOM 703 CG MET A 51 -3.899 -1.807 0.841 1.00 0.00 C ATOM 704 SD MET A 51 -3.779 -0.145 0.135 1.00 0.00 S ATOM 705 CE MET A 51 -2.233 -0.397 -0.770 1.00 0.00 C ATOM 0 H MET A 51 -1.253 -2.726 3.594 1.00 0.00 H new ATOM 0 HA MET A 51 -3.765 -3.631 2.637 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.425 -1.357 2.358 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.761 -2.121 0.928 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.055 -2.540 0.050 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.759 -1.870 1.508 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.125 0.378 -1.529 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.393 -0.345 -0.077 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.248 -1.376 -1.250 1.00 0.00 H new ATOM 876 N LEU A 63 -11.291 -0.595 4.441 1.00 0.00 N ATOM 877 CA LEU A 63 -10.567 0.708 4.406 1.00 0.00 C ATOM 878 C LEU A 63 -11.259 1.705 5.332 1.00 0.00 C ATOM 879 O LEU A 63 -10.628 2.548 5.936 1.00 0.00 O ATOM 880 CB LEU A 63 -10.581 1.262 2.985 1.00 0.00 C ATOM 881 CG LEU A 63 -9.410 0.683 2.193 1.00 0.00 C ATOM 882 CD1 LEU A 63 -9.354 -0.832 2.395 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.604 0.995 0.710 1.00 0.00 C ATOM 0 HA LEU A 63 -9.539 0.554 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.522 1.011 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.514 2.350 3.008 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.477 1.126 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.518 -1.244 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.220 -1.053 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.284 -1.280 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.771 0.584 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.536 0.549 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.643 2.075 0.568 1.00 0.00 H new ATOM 895 N GLN A 64 -12.555 1.619 5.446 1.00 0.00 N ATOM 896 CA GLN A 64 -13.285 2.569 6.331 1.00 0.00 C ATOM 897 C GLN A 64 -12.661 2.529 7.725 1.00 0.00 C ATOM 898 O GLN A 64 -12.457 3.549 8.353 1.00 0.00 O ATOM 899 CB GLN A 64 -14.758 2.163 6.413 1.00 0.00 C ATOM 900 CG GLN A 64 -15.482 3.073 7.407 1.00 0.00 C ATOM 901 CD GLN A 64 -16.981 2.764 7.386 1.00 0.00 C ATOM 902 OE1 GLN A 64 -17.409 1.818 6.756 1.00 0.00 O ATOM 903 NE2 GLN A 64 -17.802 3.528 8.053 1.00 0.00 N ATOM 0 H GLN A 64 -13.139 0.934 4.966 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.215 3.579 5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.222 2.238 5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.843 1.123 6.727 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -15.083 2.923 8.410 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.312 4.118 7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -17.443 4.323 8.582 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -18.803 3.331 8.045 1.00 0.00 H new ATOM 912 N ALA A 65 -12.340 1.361 8.210 1.00 0.00 N ATOM 913 CA ALA A 65 -11.712 1.267 9.557 1.00 0.00 C ATOM 914 C ALA A 65 -10.273 1.779 9.467 1.00 0.00 C ATOM 915 O ALA A 65 -9.736 2.332 10.406 1.00 0.00 O ATOM 916 CB ALA A 65 -11.709 -0.192 10.022 1.00 0.00 C ATOM 0 H ALA A 65 -12.485 0.471 7.733 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.276 1.868 10.271 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.249 -0.259 11.008 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.734 -0.559 10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.142 -0.798 9.315 1.00 0.00 H new ATOM 922 N LEU A 66 -9.646 1.596 8.336 1.00 0.00 N ATOM 923 CA LEU A 66 -8.243 2.069 8.168 1.00 0.00 C ATOM 924 C LEU A 66 -8.229 3.592 8.014 1.00 0.00 C ATOM 925 O LEU A 66 -7.496 4.287 8.689 1.00 0.00 O ATOM 926 CB LEU A 66 -7.637 1.425 6.920 1.00 0.00 C ATOM 927 CG LEU A 66 -6.182 1.867 6.772 1.00 0.00 C ATOM 928 CD1 LEU A 66 -5.297 1.022 7.691 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.739 1.679 5.320 1.00 0.00 C ATOM 0 H LEU A 66 -10.048 1.137 7.518 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.658 1.789 9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.692 0.339 6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.207 1.713 6.037 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.090 2.918 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.259 1.337 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.614 1.156 8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.387 -0.029 7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.701 1.994 5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.830 0.628 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.370 2.281 4.666 1.00 0.00 H new ATOM 941 N ASP A 67 -9.030 4.116 7.125 1.00 0.00 N ATOM 942 CA ASP A 67 -9.056 5.591 6.926 1.00 0.00 C ATOM 943 C ASP A 67 -9.166 6.292 8.282 1.00 0.00 C ATOM 944 O ASP A 67 -8.545 7.308 8.519 1.00 0.00 O ATOM 945 CB ASP A 67 -10.262 5.970 6.064 1.00 0.00 C ATOM 946 CG ASP A 67 -10.040 7.361 5.469 1.00 0.00 C ATOM 947 OD1 ASP A 67 -8.902 7.682 5.171 1.00 0.00 O ATOM 948 OD2 ASP A 67 -11.013 8.084 5.322 1.00 0.00 O ATOM 0 H ASP A 67 -9.666 3.586 6.529 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.137 5.902 6.428 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.399 5.239 5.267 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.171 5.960 6.665 1.00 0.00 H new ATOM 953 N MET A 68 -9.953 5.756 9.174 1.00 0.00 N ATOM 954 CA MET A 68 -10.103 6.393 10.513 1.00 0.00 C ATOM 955 C MET A 68 -8.819 6.197 11.322 1.00 0.00 C ATOM 956 O MET A 68 -8.379 7.079 12.031 1.00 0.00 O ATOM 957 CB MET A 68 -11.278 5.750 11.254 1.00 0.00 C ATOM 958 CG MET A 68 -12.576 6.021 10.489 1.00 0.00 C ATOM 959 SD MET A 68 -12.850 7.807 10.379 1.00 0.00 S ATOM 960 CE MET A 68 -12.948 8.133 12.156 1.00 0.00 C ATOM 0 H MET A 68 -10.498 4.905 9.034 1.00 0.00 H new ATOM 0 HA MET A 68 -10.291 7.459 10.388 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.117 4.676 11.349 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.348 6.153 12.264 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.519 5.589 9.490 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.415 5.544 10.995 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.591 8.995 12.333 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.362 7.262 12.663 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.950 8.339 12.544 1.00 0.00 H new ATOM 970 N ALA A 69 -8.217 5.043 11.225 1.00 0.00 N ATOM 971 CA ALA A 69 -6.964 4.789 11.991 1.00 0.00 C ATOM 972 C ALA A 69 -5.897 5.811 11.590 1.00 0.00 C ATOM 973 O ALA A 69 -5.237 6.393 12.428 1.00 0.00 O ATOM 974 CB ALA A 69 -6.458 3.379 11.685 1.00 0.00 C ATOM 0 H ALA A 69 -8.539 4.265 10.649 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.169 4.881 13.058 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.542 3.192 12.245 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.215 2.650 11.974 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.256 3.288 10.618 1.00 0.00 H new ATOM 980 N PHE A 70 -5.719 6.031 10.316 1.00 0.00 N ATOM 981 CA PHE A 70 -4.687 7.009 9.865 1.00 0.00 C ATOM 982 C PHE A 70 -4.901 8.348 10.573 1.00 0.00 C ATOM 983 O PHE A 70 -3.961 9.035 10.919 1.00 0.00 O ATOM 984 CB PHE A 70 -4.802 7.212 8.353 1.00 0.00 C ATOM 985 CG PHE A 70 -3.732 8.174 7.895 1.00 0.00 C ATOM 986 CD1 PHE A 70 -2.429 7.716 7.675 1.00 0.00 C ATOM 987 CD2 PHE A 70 -4.044 9.524 7.692 1.00 0.00 C ATOM 988 CE1 PHE A 70 -1.436 8.608 7.251 1.00 0.00 C ATOM 989 CE2 PHE A 70 -3.051 10.416 7.269 1.00 0.00 C ATOM 990 CZ PHE A 70 -1.747 9.957 7.049 1.00 0.00 C ATOM 0 H PHE A 70 -6.243 5.577 9.568 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.697 6.624 10.109 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.694 6.258 7.837 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.789 7.601 8.101 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.189 6.675 7.832 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.050 9.877 7.862 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.430 8.254 7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.291 11.457 7.113 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.981 10.645 6.723 1.00 0.00 H new ATOM 1000 N ALA A 71 -6.130 8.730 10.789 1.00 0.00 N ATOM 1001 CA ALA A 71 -6.398 10.028 11.470 1.00 0.00 C ATOM 1002 C ALA A 71 -5.866 9.977 12.904 1.00 0.00 C ATOM 1003 O ALA A 71 -5.321 10.939 13.409 1.00 0.00 O ATOM 1004 CB ALA A 71 -7.904 10.291 11.494 1.00 0.00 C ATOM 0 H ALA A 71 -6.960 8.200 10.523 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.897 10.830 10.927 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.100 11.241 11.992 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.282 10.332 10.473 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.405 9.488 12.034 1.00 0.00 H new ATOM 1010 N SER A 72 -6.026 8.865 13.568 1.00 0.00 N ATOM 1011 CA SER A 72 -5.534 8.758 14.972 1.00 0.00 C ATOM 1012 C SER A 72 -4.003 8.756 14.987 1.00 0.00 C ATOM 1013 O SER A 72 -3.382 9.209 15.928 1.00 0.00 O ATOM 1014 CB SER A 72 -6.052 7.459 15.594 1.00 0.00 C ATOM 1015 OG SER A 72 -5.477 6.349 14.920 1.00 0.00 O ATOM 0 H SER A 72 -6.476 8.027 13.200 1.00 0.00 H new ATOM 0 HA SER A 72 -5.897 9.610 15.547 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.800 7.425 16.654 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.139 7.418 15.523 1.00 0.00 H new ATOM 0 HG SER A 72 -5.724 6.378 13.972 1.00 0.00 H new ATOM 1021 N SER A 73 -3.389 8.243 13.956 1.00 0.00 N ATOM 1022 CA SER A 73 -1.899 8.203 13.915 1.00 0.00 C ATOM 1023 C SER A 73 -1.342 9.618 13.749 1.00 0.00 C ATOM 1024 O SER A 73 -0.397 10.006 14.407 1.00 0.00 O ATOM 1025 CB SER A 73 -1.449 7.335 12.740 1.00 0.00 C ATOM 1026 OG SER A 73 -0.070 7.558 12.486 1.00 0.00 O ATOM 0 H SER A 73 -3.855 7.849 13.139 1.00 0.00 H new ATOM 0 HA SER A 73 -1.525 7.781 14.848 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.623 6.283 12.964 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.036 7.573 11.853 1.00 0.00 H new ATOM 0 HG SER A 73 0.085 7.579 11.519 1.00 0.00 H new ATOM 1032 N VAL A 74 -1.918 10.391 12.874 1.00 0.00 N ATOM 1033 CA VAL A 74 -1.421 11.781 12.662 1.00 0.00 C ATOM 1034 C VAL A 74 -1.730 12.630 13.898 1.00 0.00 C ATOM 1035 O VAL A 74 -0.974 13.508 14.264 1.00 0.00 O ATOM 1036 CB VAL A 74 -2.112 12.389 11.440 1.00 0.00 C ATOM 1037 CG1 VAL A 74 -1.955 11.445 10.246 1.00 0.00 C ATOM 1038 CG2 VAL A 74 -3.599 12.589 11.742 1.00 0.00 C ATOM 0 H VAL A 74 -2.713 10.122 12.294 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.344 11.759 12.497 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.657 13.351 11.205 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.447 11.876 9.374 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.896 11.302 10.032 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.410 10.483 10.480 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.092 13.022 10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.055 11.627 11.976 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.710 13.260 12.594 1.00 0.00 H new ATOM 1048 N ALA A 75 -2.836 12.379 14.542 1.00 0.00 N ATOM 1049 CA ALA A 75 -3.194 13.174 15.750 1.00 0.00 C ATOM 1050 C ALA A 75 -2.244 12.821 16.898 1.00 0.00 C ATOM 1051 O ALA A 75 -1.805 13.677 17.639 1.00 0.00 O ATOM 1052 CB ALA A 75 -4.632 12.854 16.159 1.00 0.00 C ATOM 0 H ALA A 75 -3.508 11.657 14.284 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.107 14.237 15.525 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.897 13.434 17.043 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.308 13.108 15.342 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.718 11.791 16.384 1.00 0.00 H new ATOM 1058 N GLN A 76 -1.922 11.566 17.052 1.00 0.00 N ATOM 1059 CA GLN A 76 -1.003 11.163 18.155 1.00 0.00 C ATOM 1060 C GLN A 76 0.416 11.642 17.843 1.00 0.00 C ATOM 1061 O GLN A 76 1.073 12.246 18.669 1.00 0.00 O ATOM 1062 CB GLN A 76 -1.003 9.639 18.285 1.00 0.00 C ATOM 1063 CG GLN A 76 -2.375 9.168 18.768 1.00 0.00 C ATOM 1064 CD GLN A 76 -2.363 7.646 18.925 1.00 0.00 C ATOM 1065 OE1 GLN A 76 -1.495 6.976 18.401 1.00 0.00 O ATOM 1066 NE2 GLN A 76 -3.296 7.068 19.630 1.00 0.00 N ATOM 0 H GLN A 76 -2.255 10.803 16.463 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.341 11.612 19.089 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.767 9.182 17.324 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.231 9.323 18.986 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.620 9.641 19.719 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.145 9.465 18.056 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.025 7.630 20.070 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.297 6.054 19.741 1.00 0.00 H new ATOM 1075 N ILE A 77 0.897 11.375 16.660 1.00 0.00 N ATOM 1076 CA ILE A 77 2.276 11.810 16.298 1.00 0.00 C ATOM 1077 C ILE A 77 2.424 13.311 16.545 1.00 0.00 C ATOM 1078 O ILE A 77 3.392 13.763 17.125 1.00 0.00 O ATOM 1079 CB ILE A 77 2.530 11.512 14.819 1.00 0.00 C ATOM 1080 CG1 ILE A 77 2.540 9.997 14.599 1.00 0.00 C ATOM 1081 CG2 ILE A 77 3.882 12.095 14.404 1.00 0.00 C ATOM 1082 CD1 ILE A 77 2.696 9.701 13.106 1.00 0.00 C ATOM 0 H ILE A 77 0.394 10.874 15.928 1.00 0.00 H new ATOM 0 HA ILE A 77 2.998 11.270 16.911 1.00 0.00 H new ATOM 0 HB ILE A 77 1.741 11.963 14.218 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.358 9.543 15.158 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.615 9.558 14.973 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.062 11.882 13.350 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.877 13.174 14.561 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.672 11.645 15.005 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.703 8.623 12.948 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.863 10.142 12.559 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.633 10.127 12.747 1.00 0.00 H new ATOM 1094 N ALA A 78 1.475 14.084 16.105 1.00 0.00 N ATOM 1095 CA ALA A 78 1.557 15.557 16.306 1.00 0.00 C ATOM 1096 C ALA A 78 1.161 15.907 17.742 1.00 0.00 C ATOM 1097 O ALA A 78 1.890 16.571 18.453 1.00 0.00 O ATOM 1098 CB ALA A 78 0.605 16.253 15.334 1.00 0.00 C ATOM 0 H ALA A 78 0.643 13.760 15.613 1.00 0.00 H new ATOM 0 HA ALA A 78 2.579 15.890 16.123 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.662 17.332 15.478 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.887 16.008 14.310 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.415 15.916 15.519 1.00 0.00 H new ATOM 1104 N ALA A 79 0.009 15.472 18.174 1.00 0.00 N ATOM 1105 CA ALA A 79 -0.432 15.786 19.562 1.00 0.00 C ATOM 1106 C ALA A 79 0.599 15.255 20.559 1.00 0.00 C ATOM 1107 O ALA A 79 0.693 15.720 21.678 1.00 0.00 O ATOM 1108 CB ALA A 79 -1.787 15.128 19.829 1.00 0.00 C ATOM 0 H ALA A 79 -0.645 14.913 17.626 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.524 16.866 19.677 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.109 15.358 20.845 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.522 15.509 19.120 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.696 14.048 19.713 1.00 0.00 H new ATOM 1114 N SER A 80 1.377 14.287 20.160 1.00 0.00 N ATOM 1115 CA SER A 80 2.405 13.728 21.084 1.00 0.00 C ATOM 1116 C SER A 80 3.620 14.656 21.109 1.00 0.00 C ATOM 1117 O SER A 80 4.412 14.633 22.030 1.00 0.00 O ATOM 1118 CB SER A 80 2.831 12.343 20.593 1.00 0.00 C ATOM 1119 OG SER A 80 1.809 11.402 20.883 1.00 0.00 O ATOM 0 H SER A 80 1.346 13.859 19.235 1.00 0.00 H new ATOM 0 HA SER A 80 1.988 13.645 22.088 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.022 12.369 19.520 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.762 12.045 21.076 1.00 0.00 H new ATOM 0 HG SER A 80 1.030 11.580 20.316 1.00 0.00 H new ATOM 1125 N GLN A 81 3.772 15.471 20.103 1.00 0.00 N ATOM 1126 CA GLN A 81 4.934 16.401 20.064 1.00 0.00 C ATOM 1127 C GLN A 81 4.929 17.278 21.317 1.00 0.00 C ATOM 1128 O GLN A 81 5.964 17.640 21.839 1.00 0.00 O ATOM 1129 CB GLN A 81 4.834 17.288 18.822 1.00 0.00 C ATOM 1130 CG GLN A 81 5.116 16.449 17.574 1.00 0.00 C ATOM 1131 CD GLN A 81 5.209 17.365 16.352 1.00 0.00 C ATOM 1132 OE1 GLN A 81 4.324 17.377 15.519 1.00 0.00 O ATOM 1133 NE2 GLN A 81 6.250 18.138 16.210 1.00 0.00 N ATOM 0 H GLN A 81 3.140 15.533 19.305 1.00 0.00 H new ATOM 0 HA GLN A 81 5.859 15.825 20.028 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.841 17.732 18.758 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.547 18.110 18.890 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.047 15.895 17.698 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.324 15.714 17.431 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.992 18.127 16.909 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.322 18.753 15.399 1.00 0.00 H new ATOM 1142 N GLY A 82 3.769 17.622 21.803 1.00 0.00 N ATOM 1143 CA GLY A 82 3.695 18.477 23.019 1.00 0.00 C ATOM 1144 C GLY A 82 3.916 19.940 22.628 1.00 0.00 C ATOM 1145 O GLY A 82 4.218 20.776 23.455 1.00 0.00 O ATOM 0 H GLY A 82 2.869 17.347 21.410 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.724 18.361 23.500 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.448 18.165 23.742 1.00 0.00 H new ATOM 1149 N GLY A 83 3.768 20.253 21.369 1.00 0.00 N ATOM 1150 CA GLY A 83 3.969 21.660 20.923 1.00 0.00 C ATOM 1151 C GLY A 83 2.615 22.368 20.839 1.00 0.00 C ATOM 1152 O GLY A 83 1.720 22.108 21.618 1.00 0.00 O ATOM 0 H GLY A 83 3.517 19.595 20.631 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.622 22.184 21.621 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.461 21.678 19.951 1.00 0.00 H new ATOM 1156 N ASP A 84 2.458 23.258 19.899 1.00 0.00 N ATOM 1157 CA ASP A 84 1.162 23.978 19.765 1.00 0.00 C ATOM 1158 C ASP A 84 0.130 23.047 19.125 1.00 0.00 C ATOM 1159 O ASP A 84 0.175 22.774 17.944 1.00 0.00 O ATOM 1160 CB ASP A 84 1.356 25.212 18.881 1.00 0.00 C ATOM 1161 CG ASP A 84 0.086 26.065 18.908 1.00 0.00 C ATOM 1162 OD1 ASP A 84 -0.822 25.716 19.644 1.00 0.00 O ATOM 1163 OD2 ASP A 84 0.043 27.052 18.191 1.00 0.00 O ATOM 0 H ASP A 84 3.172 23.518 19.218 1.00 0.00 H new ATOM 0 HA ASP A 84 0.811 24.288 20.749 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.206 25.795 19.234 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.581 24.908 17.859 1.00 0.00 H new ATOM 1168 N LEU A 85 -0.799 22.554 19.896 1.00 0.00 N ATOM 1169 CA LEU A 85 -1.829 21.636 19.328 1.00 0.00 C ATOM 1170 C LEU A 85 -2.613 22.358 18.230 1.00 0.00 C ATOM 1171 O LEU A 85 -3.197 21.740 17.362 1.00 0.00 O ATOM 1172 CB LEU A 85 -2.788 21.202 20.440 1.00 0.00 C ATOM 1173 CG LEU A 85 -3.879 20.301 19.857 1.00 0.00 C ATOM 1174 CD1 LEU A 85 -3.364 18.862 19.773 1.00 0.00 C ATOM 1175 CD2 LEU A 85 -5.114 20.351 20.758 1.00 0.00 C ATOM 0 H LEU A 85 -0.891 22.746 20.894 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.340 20.759 18.903 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.241 20.670 21.218 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.238 22.078 20.908 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.143 20.649 18.858 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.142 18.221 19.358 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.484 18.827 19.131 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.099 18.511 20.771 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.892 19.710 20.344 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.850 20.003 21.757 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.481 21.376 20.816 1.00 0.00 H new ATOM 1187 N GLY A 86 -2.637 23.660 18.261 1.00 0.00 N ATOM 1188 CA GLY A 86 -3.390 24.415 17.220 1.00 0.00 C ATOM 1189 C GLY A 86 -2.678 24.299 15.870 1.00 0.00 C ATOM 1190 O GLY A 86 -3.307 24.174 14.838 1.00 0.00 O ATOM 0 H GLY A 86 -2.168 24.235 18.961 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.405 24.026 17.140 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.473 25.463 17.508 1.00 0.00 H new ATOM 1194 N VAL A 87 -1.374 24.349 15.862 1.00 0.00 N ATOM 1195 CA VAL A 87 -0.636 24.252 14.570 1.00 0.00 C ATOM 1196 C VAL A 87 -0.803 22.848 13.979 1.00 0.00 C ATOM 1197 O VAL A 87 -0.967 22.689 12.785 1.00 0.00 O ATOM 1198 CB VAL A 87 0.850 24.563 14.798 1.00 0.00 C ATOM 1199 CG1 VAL A 87 1.588 23.316 15.293 1.00 0.00 C ATOM 1200 CG2 VAL A 87 1.476 25.034 13.482 1.00 0.00 C ATOM 0 H VAL A 87 -0.789 24.452 16.691 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.043 24.978 13.866 1.00 0.00 H new ATOM 0 HB VAL A 87 0.935 25.345 15.553 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.640 23.554 15.450 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.148 22.982 16.232 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.502 22.523 14.550 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.531 25.256 13.640 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.378 24.250 12.731 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.964 25.932 13.137 1.00 0.00 H new ATOM 1210 N THR A 88 -0.772 21.828 14.795 1.00 0.00 N ATOM 1211 CA THR A 88 -0.939 20.454 14.247 1.00 0.00 C ATOM 1212 C THR A 88 -2.197 20.431 13.387 1.00 0.00 C ATOM 1213 O THR A 88 -2.264 19.756 12.381 1.00 0.00 O ATOM 1214 CB THR A 88 -1.080 19.443 15.387 1.00 0.00 C ATOM 1215 OG1 THR A 88 0.155 19.337 16.081 1.00 0.00 O ATOM 1216 CG2 THR A 88 -1.462 18.080 14.807 1.00 0.00 C ATOM 0 H THR A 88 -0.640 21.886 15.805 1.00 0.00 H new ATOM 0 HA THR A 88 -0.066 20.186 13.652 1.00 0.00 H new ATOM 0 HB THR A 88 -1.854 19.775 16.079 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.036 18.778 16.877 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.564 17.356 15.616 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.409 18.164 14.274 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.686 17.747 14.118 1.00 0.00 H new ATOM 1224 N THR A 89 -3.190 21.181 13.771 1.00 0.00 N ATOM 1225 CA THR A 89 -4.439 21.221 12.968 1.00 0.00 C ATOM 1226 C THR A 89 -4.086 21.658 11.548 1.00 0.00 C ATOM 1227 O THR A 89 -4.449 21.021 10.582 1.00 0.00 O ATOM 1228 CB THR A 89 -5.414 22.223 13.589 1.00 0.00 C ATOM 1229 OG1 THR A 89 -5.442 22.040 14.997 1.00 0.00 O ATOM 1230 CG2 THR A 89 -6.814 22.000 13.015 1.00 0.00 C ATOM 0 H THR A 89 -3.190 21.767 14.606 1.00 0.00 H new ATOM 0 HA THR A 89 -4.907 20.237 12.950 1.00 0.00 H new ATOM 0 HB THR A 89 -5.089 23.238 13.360 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.789 22.638 15.418 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.507 22.715 13.459 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.791 22.140 11.934 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.143 20.986 13.243 1.00 0.00 H new ATOM 1238 N ASN A 90 -3.366 22.740 11.418 1.00 0.00 N ATOM 1239 CA ASN A 90 -2.975 23.213 10.062 1.00 0.00 C ATOM 1240 C ASN A 90 -1.946 22.246 9.475 1.00 0.00 C ATOM 1241 O ASN A 90 -1.984 21.918 8.306 1.00 0.00 O ATOM 1242 CB ASN A 90 -2.365 24.614 10.166 1.00 0.00 C ATOM 1243 CG ASN A 90 -2.228 25.216 8.765 1.00 0.00 C ATOM 1244 OD1 ASN A 90 -3.196 25.312 8.035 1.00 0.00 O ATOM 1245 ND2 ASN A 90 -1.059 25.629 8.357 1.00 0.00 N ATOM 0 H ASN A 90 -3.033 23.315 12.192 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.852 23.251 9.416 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.994 25.251 10.787 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.389 24.562 10.648 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.957 26.032 7.426 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.247 25.548 8.969 1.00 0.00 H new ATOM 1252 N ALA A 91 -1.030 21.780 10.280 1.00 0.00 N ATOM 1253 CA ALA A 91 -0.002 20.828 9.774 1.00 0.00 C ATOM 1254 C ALA A 91 -0.691 19.549 9.291 1.00 0.00 C ATOM 1255 O ALA A 91 -0.496 19.110 8.174 1.00 0.00 O ATOM 1256 CB ALA A 91 0.975 20.486 10.902 1.00 0.00 C ATOM 0 H ALA A 91 -0.950 22.019 11.268 1.00 0.00 H new ATOM 0 HA ALA A 91 0.543 21.284 8.948 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.728 19.789 10.533 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.463 21.397 11.249 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.431 20.028 11.728 1.00 0.00 H new ATOM 1262 N ILE A 92 -1.490 18.949 10.127 1.00 0.00 N ATOM 1263 CA ILE A 92 -2.193 17.696 9.728 1.00 0.00 C ATOM 1264 C ILE A 92 -3.305 18.019 8.726 1.00 0.00 C ATOM 1265 O ILE A 92 -3.400 17.417 7.675 1.00 0.00 O ATOM 1266 CB ILE A 92 -2.801 17.044 10.971 1.00 0.00 C ATOM 1267 CG1 ILE A 92 -1.683 16.627 11.929 1.00 0.00 C ATOM 1268 CG2 ILE A 92 -3.605 15.809 10.559 1.00 0.00 C ATOM 1269 CD1 ILE A 92 -2.288 15.938 13.153 1.00 0.00 C ATOM 0 H ILE A 92 -1.688 19.273 11.074 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.481 17.014 9.263 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.459 17.757 11.468 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.991 15.953 11.425 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.109 17.501 12.237 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.038 15.345 11.445 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.403 16.105 9.878 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.948 15.097 10.061 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.491 15.641 13.835 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.963 16.626 13.662 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.842 15.054 12.836 1.00 0.00 H new ATOM 1281 N ALA A 93 -4.154 18.958 9.044 1.00 0.00 N ATOM 1282 CA ALA A 93 -5.265 19.306 8.110 1.00 0.00 C ATOM 1283 C ALA A 93 -4.695 19.690 6.744 1.00 0.00 C ATOM 1284 O ALA A 93 -5.135 19.203 5.720 1.00 0.00 O ATOM 1285 CB ALA A 93 -6.059 20.485 8.673 1.00 0.00 C ATOM 0 H ALA A 93 -4.127 19.499 9.908 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.920 18.442 8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.870 20.737 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.474 20.214 9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -5.400 21.346 8.788 1.00 0.00 H new ATOM 1291 N ASP A 94 -3.723 20.559 6.715 1.00 0.00 N ATOM 1292 CA ASP A 94 -3.136 20.969 5.408 1.00 0.00 C ATOM 1293 C ASP A 94 -2.680 19.724 4.649 1.00 0.00 C ATOM 1294 O ASP A 94 -2.971 19.556 3.482 1.00 0.00 O ATOM 1295 CB ASP A 94 -1.937 21.886 5.650 1.00 0.00 C ATOM 1296 CG ASP A 94 -2.428 23.245 6.152 1.00 0.00 C ATOM 1297 OD1 ASP A 94 -3.626 23.470 6.121 1.00 0.00 O ATOM 1298 OD2 ASP A 94 -1.596 24.040 6.561 1.00 0.00 O ATOM 0 H ASP A 94 -3.311 21.002 7.536 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.885 21.502 4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.264 21.438 6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.369 22.010 4.728 1.00 0.00 H new ATOM 1303 N ALA A 95 -1.973 18.846 5.305 1.00 0.00 N ATOM 1304 CA ALA A 95 -1.507 17.611 4.620 1.00 0.00 C ATOM 1305 C ALA A 95 -2.719 16.864 4.061 1.00 0.00 C ATOM 1306 O ALA A 95 -2.725 16.429 2.927 1.00 0.00 O ATOM 1307 CB ALA A 95 -0.775 16.721 5.626 1.00 0.00 C ATOM 0 H ALA A 95 -1.699 18.931 6.284 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.829 17.870 3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.432 15.814 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.082 17.259 6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.453 16.455 6.437 1.00 0.00 H new ATOM 1313 N LEU A 96 -3.747 16.720 4.851 1.00 0.00 N ATOM 1314 CA LEU A 96 -4.965 16.007 4.370 1.00 0.00 C ATOM 1315 C LEU A 96 -5.690 16.872 3.336 1.00 0.00 C ATOM 1316 O LEU A 96 -6.373 16.374 2.464 1.00 0.00 O ATOM 1317 CB LEU A 96 -5.910 15.740 5.547 1.00 0.00 C ATOM 1318 CG LEU A 96 -5.119 15.215 6.747 1.00 0.00 C ATOM 1319 CD1 LEU A 96 -5.769 15.712 8.039 1.00 0.00 C ATOM 1320 CD2 LEU A 96 -5.123 13.686 6.731 1.00 0.00 C ATOM 0 H LEU A 96 -3.797 17.065 5.809 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.667 15.061 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.433 16.657 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.670 15.014 5.256 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.092 15.576 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.207 15.339 8.896 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.768 16.802 8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.796 15.349 8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.560 13.312 7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.150 13.324 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.663 13.331 5.809 1.00 0.00 H new ATOM 1332 N THR A 97 -5.561 18.167 3.440 1.00 0.00 N ATOM 1333 CA THR A 97 -6.257 19.066 2.477 1.00 0.00 C ATOM 1334 C THR A 97 -5.710 18.851 1.066 1.00 0.00 C ATOM 1335 O THR A 97 -6.452 18.595 0.137 1.00 0.00 O ATOM 1336 CB THR A 97 -6.037 20.522 2.893 1.00 0.00 C ATOM 1337 OG1 THR A 97 -6.654 20.753 4.152 1.00 0.00 O ATOM 1338 CG2 THR A 97 -6.644 21.459 1.846 1.00 0.00 C ATOM 0 H THR A 97 -5.003 18.641 4.151 1.00 0.00 H new ATOM 0 HA THR A 97 -7.323 18.838 2.482 1.00 0.00 H new ATOM 0 HB THR A 97 -4.967 20.716 2.970 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.051 20.467 4.869 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.484 22.494 2.148 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.167 21.284 0.881 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.714 21.267 1.762 1.00 0.00 H new ATOM 1346 N SER A 98 -4.423 18.955 0.891 1.00 0.00 N ATOM 1347 CA SER A 98 -3.842 18.759 -0.464 1.00 0.00 C ATOM 1348 C SER A 98 -4.025 17.303 -0.890 1.00 0.00 C ATOM 1349 O SER A 98 -4.396 17.014 -2.011 1.00 0.00 O ATOM 1350 CB SER A 98 -2.351 19.099 -0.433 1.00 0.00 C ATOM 1351 OG SER A 98 -1.671 18.167 0.395 1.00 0.00 O ATOM 0 H SER A 98 -3.749 19.167 1.627 1.00 0.00 H new ATOM 0 HA SER A 98 -4.348 19.412 -1.175 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.940 19.073 -1.442 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.205 20.111 -0.056 1.00 0.00 H new ATOM 0 HG SER A 98 -0.715 18.383 0.414 1.00 0.00 H new ATOM 1357 N ALA A 99 -3.770 16.381 -0.004 1.00 0.00 N ATOM 1358 CA ALA A 99 -3.928 14.943 -0.361 1.00 0.00 C ATOM 1359 C ALA A 99 -5.328 14.706 -0.930 1.00 0.00 C ATOM 1360 O ALA A 99 -5.499 14.007 -1.907 1.00 0.00 O ATOM 1361 CB ALA A 99 -3.728 14.085 0.888 1.00 0.00 C ATOM 0 H ALA A 99 -3.459 16.560 0.951 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.185 14.671 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.843 13.033 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.728 14.253 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.470 14.357 1.639 1.00 0.00 H new ATOM 1367 N PHE A 100 -6.335 15.285 -0.332 1.00 0.00 N ATOM 1368 CA PHE A 100 -7.718 15.087 -0.853 1.00 0.00 C ATOM 1369 C PHE A 100 -7.733 15.372 -2.354 1.00 0.00 C ATOM 1370 O PHE A 100 -8.121 14.544 -3.154 1.00 0.00 O ATOM 1371 CB PHE A 100 -8.670 16.060 -0.156 1.00 0.00 C ATOM 1372 CG PHE A 100 -9.444 15.340 0.919 1.00 0.00 C ATOM 1373 CD1 PHE A 100 -10.381 14.358 0.571 1.00 0.00 C ATOM 1374 CD2 PHE A 100 -9.230 15.660 2.265 1.00 0.00 C ATOM 1375 CE1 PHE A 100 -11.104 13.697 1.571 1.00 0.00 C ATOM 1376 CE2 PHE A 100 -9.951 14.996 3.263 1.00 0.00 C ATOM 1377 CZ PHE A 100 -10.888 14.016 2.917 1.00 0.00 C ATOM 0 H PHE A 100 -6.260 15.883 0.491 1.00 0.00 H new ATOM 0 HA PHE A 100 -8.035 14.062 -0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.106 16.884 0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -9.357 16.493 -0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.545 14.111 -0.468 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.509 16.419 2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.828 12.941 1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.784 15.240 4.302 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.445 13.505 3.689 1.00 0.00 H new ATOM 1387 N TYR A 101 -7.311 16.543 -2.739 1.00 0.00 N ATOM 1388 CA TYR A 101 -7.294 16.901 -4.183 1.00 0.00 C ATOM 1389 C TYR A 101 -6.177 16.129 -4.887 1.00 0.00 C ATOM 1390 O TYR A 101 -6.284 15.778 -6.045 1.00 0.00 O ATOM 1391 CB TYR A 101 -7.070 18.407 -4.321 1.00 0.00 C ATOM 1392 CG TYR A 101 -7.888 19.123 -3.269 1.00 0.00 C ATOM 1393 CD1 TYR A 101 -9.265 18.882 -3.170 1.00 0.00 C ATOM 1394 CD2 TYR A 101 -7.271 20.021 -2.390 1.00 0.00 C ATOM 1395 CE1 TYR A 101 -10.025 19.539 -2.193 1.00 0.00 C ATOM 1396 CE2 TYR A 101 -8.030 20.679 -1.413 1.00 0.00 C ATOM 1397 CZ TYR A 101 -9.406 20.438 -1.316 1.00 0.00 C ATOM 1398 OH TYR A 101 -10.155 21.089 -0.356 1.00 0.00 O ATOM 0 H TYR A 101 -6.975 17.272 -2.110 1.00 0.00 H new ATOM 0 HA TYR A 101 -8.246 16.637 -4.645 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.013 18.643 -4.202 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -7.361 18.742 -5.317 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -9.741 18.189 -3.848 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.210 20.207 -2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -11.086 19.352 -2.117 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.554 21.372 -0.735 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.610 21.226 0.447 1.00 0.00 H new ATOM 1408 N GLN A 102 -5.110 15.855 -4.193 1.00 0.00 N ATOM 1409 CA GLN A 102 -3.988 15.100 -4.815 1.00 0.00 C ATOM 1410 C GLN A 102 -4.362 13.618 -4.920 1.00 0.00 C ATOM 1411 O GLN A 102 -3.747 12.866 -5.649 1.00 0.00 O ATOM 1412 CB GLN A 102 -2.732 15.240 -3.948 1.00 0.00 C ATOM 1413 CG GLN A 102 -2.237 16.687 -3.987 1.00 0.00 C ATOM 1414 CD GLN A 102 -0.717 16.713 -3.807 1.00 0.00 C ATOM 1415 OE1 GLN A 102 -0.097 15.684 -3.633 1.00 0.00 O ATOM 1416 NE2 GLN A 102 -0.090 17.857 -3.840 1.00 0.00 N ATOM 0 H GLN A 102 -4.966 16.122 -3.219 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.794 15.501 -5.810 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.953 14.949 -2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -1.953 14.569 -4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.509 17.150 -4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.717 17.268 -3.199 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.612 18.721 -3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.922 17.887 -3.720 1.00 0.00 H new ATOM 1425 N THR A 103 -5.348 13.184 -4.181 1.00 0.00 N ATOM 1426 CA THR A 103 -5.727 11.742 -4.229 1.00 0.00 C ATOM 1427 C THR A 103 -7.077 11.544 -4.929 1.00 0.00 C ATOM 1428 O THR A 103 -7.170 10.827 -5.905 1.00 0.00 O ATOM 1429 CB THR A 103 -5.816 11.202 -2.801 1.00 0.00 C ATOM 1430 OG1 THR A 103 -6.875 11.858 -2.116 1.00 0.00 O ATOM 1431 CG2 THR A 103 -4.497 11.462 -2.074 1.00 0.00 C ATOM 0 H THR A 103 -5.904 13.761 -3.550 1.00 0.00 H new ATOM 0 HA THR A 103 -4.967 11.204 -4.795 1.00 0.00 H new ATOM 0 HB THR A 103 -6.008 10.129 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.576 12.744 -1.824 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.561 11.077 -1.056 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.686 10.960 -2.602 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.303 12.534 -2.045 1.00 0.00 H new ATOM 1439 N THR A 104 -8.130 12.140 -4.435 1.00 0.00 N ATOM 1440 CA THR A 104 -9.458 11.931 -5.084 1.00 0.00 C ATOM 1441 C THR A 104 -10.113 13.267 -5.449 1.00 0.00 C ATOM 1442 O THR A 104 -10.675 13.415 -6.516 1.00 0.00 O ATOM 1443 CB THR A 104 -10.367 11.170 -4.117 1.00 0.00 C ATOM 1444 OG1 THR A 104 -9.803 9.889 -3.851 1.00 0.00 O ATOM 1445 CG2 THR A 104 -11.755 11.008 -4.739 1.00 0.00 C ATOM 0 H THR A 104 -8.130 12.755 -3.621 1.00 0.00 H new ATOM 0 HA THR A 104 -9.312 11.361 -6.002 1.00 0.00 H new ATOM 0 HB THR A 104 -10.457 11.726 -3.184 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.528 9.471 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.402 10.466 -4.049 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.181 11.991 -4.939 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.673 10.452 -5.673 1.00 0.00 H new ATOM 1453 N GLY A 105 -10.057 14.239 -4.582 1.00 0.00 N ATOM 1454 CA GLY A 105 -10.691 15.551 -4.905 1.00 0.00 C ATOM 1455 C GLY A 105 -11.985 15.710 -4.105 1.00 0.00 C ATOM 1456 O GLY A 105 -13.014 16.076 -4.637 1.00 0.00 O ATOM 0 H GLY A 105 -9.604 14.185 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.005 16.365 -4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.903 15.610 -5.973 1.00 0.00 H new ATOM 1460 N VAL A 106 -11.940 15.445 -2.829 1.00 0.00 N ATOM 1461 CA VAL A 106 -13.159 15.587 -1.991 1.00 0.00 C ATOM 1462 C VAL A 106 -12.975 16.768 -1.041 1.00 0.00 C ATOM 1463 O VAL A 106 -11.908 17.345 -0.954 1.00 0.00 O ATOM 1464 CB VAL A 106 -13.371 14.309 -1.180 1.00 0.00 C ATOM 1465 CG1 VAL A 106 -14.805 14.277 -0.645 1.00 0.00 C ATOM 1466 CG2 VAL A 106 -13.132 13.090 -2.072 1.00 0.00 C ATOM 0 H VAL A 106 -11.106 15.135 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.027 15.758 -2.628 1.00 0.00 H new ATOM 0 HB VAL A 106 -12.670 14.289 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -14.957 13.366 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -14.975 15.144 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -15.505 14.298 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -13.284 12.180 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -13.831 13.108 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.111 13.112 -2.452 1.00 0.00 H new ATOM 1476 N VAL A 107 -13.999 17.135 -0.327 1.00 0.00 N ATOM 1477 CA VAL A 107 -13.871 18.278 0.615 1.00 0.00 C ATOM 1478 C VAL A 107 -13.014 17.861 1.811 1.00 0.00 C ATOM 1479 O VAL A 107 -13.333 16.930 2.522 1.00 0.00 O ATOM 1480 CB VAL A 107 -15.256 18.679 1.109 1.00 0.00 C ATOM 1481 CG1 VAL A 107 -16.128 19.093 -0.078 1.00 0.00 C ATOM 1482 CG2 VAL A 107 -15.890 17.483 1.820 1.00 0.00 C ATOM 0 H VAL A 107 -14.918 16.694 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.402 19.119 0.104 1.00 0.00 H new ATOM 0 HB VAL A 107 -15.174 19.520 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -17.117 19.379 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -15.669 19.939 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.220 18.257 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.882 17.757 2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -15.973 16.648 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -15.267 17.190 2.665 1.00 0.00 H new ATOM 1492 N ASN A 108 -11.930 18.546 2.037 1.00 0.00 N ATOM 1493 CA ASN A 108 -11.047 18.196 3.187 1.00 0.00 C ATOM 1494 C ASN A 108 -11.725 18.590 4.502 1.00 0.00 C ATOM 1495 O ASN A 108 -11.497 17.993 5.535 1.00 0.00 O ATOM 1496 CB ASN A 108 -9.715 18.940 3.058 1.00 0.00 C ATOM 1497 CG ASN A 108 -9.392 19.167 1.580 1.00 0.00 C ATOM 1498 OD1 ASN A 108 -8.754 20.139 1.229 1.00 0.00 O ATOM 1499 ND2 ASN A 108 -9.803 18.303 0.693 1.00 0.00 N ATOM 0 H ASN A 108 -11.615 19.336 1.474 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.866 17.121 3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -9.769 19.896 3.579 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.919 18.364 3.530 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -9.588 18.444 -0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -10.339 17.486 0.987 1.00 0.00 H new ATOM 1506 N SER A 109 -12.539 19.607 4.469 1.00 0.00 N ATOM 1507 CA SER A 109 -13.221 20.067 5.714 1.00 0.00 C ATOM 1508 C SER A 109 -14.009 18.921 6.356 1.00 0.00 C ATOM 1509 O SER A 109 -14.187 18.884 7.558 1.00 0.00 O ATOM 1510 CB SER A 109 -14.178 21.211 5.370 1.00 0.00 C ATOM 1511 OG SER A 109 -13.453 22.268 4.759 1.00 0.00 O ATOM 0 H SER A 109 -12.763 20.143 3.631 1.00 0.00 H new ATOM 0 HA SER A 109 -12.466 20.409 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.959 20.856 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.673 21.569 6.273 1.00 0.00 H new ATOM 0 HG SER A 109 -14.066 23.000 4.537 1.00 0.00 H new ATOM 1517 N ARG A 110 -14.500 17.995 5.578 1.00 0.00 N ATOM 1518 CA ARG A 110 -15.291 16.878 6.173 1.00 0.00 C ATOM 1519 C ARG A 110 -14.372 15.927 6.948 1.00 0.00 C ATOM 1520 O ARG A 110 -14.584 15.665 8.115 1.00 0.00 O ATOM 1521 CB ARG A 110 -15.988 16.104 5.053 1.00 0.00 C ATOM 1522 CG ARG A 110 -16.809 14.963 5.657 1.00 0.00 C ATOM 1523 CD ARG A 110 -18.042 15.538 6.358 1.00 0.00 C ATOM 1524 NE ARG A 110 -18.850 14.427 6.934 1.00 0.00 N ATOM 1525 CZ ARG A 110 -19.501 14.604 8.051 1.00 0.00 C ATOM 1526 NH1 ARG A 110 -19.810 15.811 8.440 1.00 0.00 N ATOM 1527 NH2 ARG A 110 -19.841 13.577 8.779 1.00 0.00 N ATOM 0 H ARG A 110 -14.390 17.962 4.565 1.00 0.00 H new ATOM 0 HA ARG A 110 -16.030 17.293 6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -16.636 16.771 4.484 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -15.249 15.706 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -17.113 14.266 4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -16.203 14.401 6.367 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -17.737 16.227 7.146 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -18.642 16.109 5.650 1.00 0.00 H new ATOM 0 HE ARG A 110 -18.894 13.528 6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -19.543 16.614 7.871 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -20.319 15.951 9.313 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -19.598 12.634 8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -20.350 13.717 9.652 1.00 0.00 H new ATOM 1541 N PHE A 111 -13.355 15.409 6.316 1.00 0.00 N ATOM 1542 CA PHE A 111 -12.432 14.479 7.031 1.00 0.00 C ATOM 1543 C PHE A 111 -11.511 15.277 7.957 1.00 0.00 C ATOM 1544 O PHE A 111 -11.313 14.928 9.105 1.00 0.00 O ATOM 1545 CB PHE A 111 -11.592 13.705 6.013 1.00 0.00 C ATOM 1546 CG PHE A 111 -10.747 12.680 6.731 1.00 0.00 C ATOM 1547 CD1 PHE A 111 -11.311 11.463 7.128 1.00 0.00 C ATOM 1548 CD2 PHE A 111 -9.398 12.948 6.999 1.00 0.00 C ATOM 1549 CE1 PHE A 111 -10.527 10.512 7.792 1.00 0.00 C ATOM 1550 CE2 PHE A 111 -8.615 11.997 7.663 1.00 0.00 C ATOM 1551 CZ PHE A 111 -9.180 10.778 8.060 1.00 0.00 C ATOM 0 H PHE A 111 -13.123 15.588 5.339 1.00 0.00 H new ATOM 0 HA PHE A 111 -13.018 13.777 7.624 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -12.241 13.213 5.289 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -10.954 14.391 5.455 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -12.351 11.257 6.922 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -8.963 13.888 6.693 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -10.963 9.572 8.098 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -7.575 12.203 7.869 1.00 0.00 H new ATOM 0 HZ PHE A 111 -8.576 10.044 8.573 1.00 0.00 H new ATOM 1561 N ILE A 112 -10.943 16.340 7.462 1.00 0.00 N ATOM 1562 CA ILE A 112 -10.026 17.165 8.297 1.00 0.00 C ATOM 1563 C ILE A 112 -10.747 17.618 9.568 1.00 0.00 C ATOM 1564 O ILE A 112 -10.220 17.520 10.658 1.00 0.00 O ATOM 1565 CB ILE A 112 -9.586 18.389 7.495 1.00 0.00 C ATOM 1566 CG1 ILE A 112 -8.712 17.943 6.322 1.00 0.00 C ATOM 1567 CG2 ILE A 112 -8.786 19.333 8.394 1.00 0.00 C ATOM 1568 CD1 ILE A 112 -8.039 19.164 5.693 1.00 0.00 C ATOM 0 H ILE A 112 -11.075 16.675 6.508 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.154 16.572 8.575 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.467 18.908 7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.957 17.235 6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.319 17.426 5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.474 20.205 7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.408 19.653 9.230 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.906 18.815 8.774 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -7.416 18.846 4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -8.802 19.856 5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -7.419 19.662 6.438 1.00 0.00 H new ATOM 1580 N SER A 113 -11.945 18.117 9.440 1.00 0.00 N ATOM 1581 CA SER A 113 -12.688 18.578 10.648 1.00 0.00 C ATOM 1582 C SER A 113 -12.779 17.432 11.657 1.00 0.00 C ATOM 1583 O SER A 113 -12.580 17.617 12.841 1.00 0.00 O ATOM 1584 CB SER A 113 -14.098 19.014 10.245 1.00 0.00 C ATOM 1585 OG SER A 113 -14.763 19.565 11.372 1.00 0.00 O ATOM 0 H SER A 113 -12.441 18.226 8.555 1.00 0.00 H new ATOM 0 HA SER A 113 -12.162 19.420 11.099 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.047 19.751 9.443 1.00 0.00 H new ATOM 0 HB3 SER A 113 -14.658 18.162 9.860 1.00 0.00 H new ATOM 0 HG SER A 113 -15.666 19.846 11.114 1.00 0.00 H new ATOM 1591 N GLU A 114 -13.075 16.247 11.198 1.00 0.00 N ATOM 1592 CA GLU A 114 -13.175 15.091 12.132 1.00 0.00 C ATOM 1593 C GLU A 114 -11.854 14.938 12.887 1.00 0.00 C ATOM 1594 O GLU A 114 -11.829 14.809 14.095 1.00 0.00 O ATOM 1595 CB GLU A 114 -13.461 13.817 11.336 1.00 0.00 C ATOM 1596 CG GLU A 114 -14.858 13.905 10.719 1.00 0.00 C ATOM 1597 CD GLU A 114 -15.213 12.567 10.066 1.00 0.00 C ATOM 1598 OE1 GLU A 114 -14.340 11.719 9.990 1.00 0.00 O ATOM 1599 OE2 GLU A 114 -16.351 12.415 9.656 1.00 0.00 O ATOM 0 H GLU A 114 -13.252 16.030 10.217 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.984 15.262 12.843 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.713 13.689 10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.393 12.946 11.987 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.591 14.153 11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.890 14.703 9.978 1.00 0.00 H new ATOM 1606 N ILE A 115 -10.756 14.957 12.184 1.00 0.00 N ATOM 1607 CA ILE A 115 -9.433 14.819 12.854 1.00 0.00 C ATOM 1608 C ILE A 115 -9.190 16.033 13.752 1.00 0.00 C ATOM 1609 O ILE A 115 -8.575 15.935 14.794 1.00 0.00 O ATOM 1610 CB ILE A 115 -8.331 14.736 11.799 1.00 0.00 C ATOM 1611 CG1 ILE A 115 -8.485 13.444 10.995 1.00 0.00 C ATOM 1612 CG2 ILE A 115 -6.966 14.746 12.490 1.00 0.00 C ATOM 1613 CD1 ILE A 115 -7.422 13.398 9.896 1.00 0.00 C ATOM 0 H ILE A 115 -10.718 15.063 11.170 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.424 13.911 13.457 1.00 0.00 H new ATOM 0 HB ILE A 115 -8.408 15.591 11.127 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -8.382 12.580 11.652 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.481 13.393 10.555 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -6.178 14.687 11.739 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.854 15.667 13.062 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.892 13.891 13.162 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -7.531 12.477 9.323 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -7.546 14.255 9.234 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.430 13.429 10.347 1.00 0.00 H new ATOM 1625 N ARG A 116 -9.662 17.180 13.348 1.00 0.00 N ATOM 1626 CA ARG A 116 -9.454 18.407 14.167 1.00 0.00 C ATOM 1627 C ARG A 116 -9.931 18.156 15.599 1.00 0.00 C ATOM 1628 O ARG A 116 -9.233 18.439 16.553 1.00 0.00 O ATOM 1629 CB ARG A 116 -10.261 19.558 13.560 1.00 0.00 C ATOM 1630 CG ARG A 116 -9.793 20.885 14.158 1.00 0.00 C ATOM 1631 CD ARG A 116 -10.891 21.937 13.990 1.00 0.00 C ATOM 1632 NE ARG A 116 -11.132 22.178 12.540 1.00 0.00 N ATOM 1633 CZ ARG A 116 -10.961 23.371 12.038 1.00 0.00 C ATOM 1634 NH1 ARG A 116 -9.755 23.840 11.866 1.00 0.00 N ATOM 1635 NH2 ARG A 116 -11.996 24.096 11.709 1.00 0.00 N ATOM 0 H ARG A 116 -10.184 17.321 12.483 1.00 0.00 H new ATOM 0 HA ARG A 116 -8.394 18.662 14.178 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -10.136 19.571 12.477 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -11.323 19.414 13.757 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -9.556 20.757 15.214 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.879 21.216 13.665 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -11.809 21.599 14.471 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -10.598 22.865 14.480 1.00 0.00 H new ATOM 0 HE ARG A 116 -11.431 21.410 11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -8.946 23.274 12.124 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -9.621 24.772 11.474 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -12.939 23.730 11.844 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -11.862 25.028 11.317 1.00 0.00 H new ATOM 1649 N SER A 117 -11.112 17.629 15.758 1.00 0.00 N ATOM 1650 CA SER A 117 -11.628 17.364 17.131 1.00 0.00 C ATOM 1651 C SER A 117 -10.834 16.217 17.763 1.00 0.00 C ATOM 1652 O SER A 117 -10.606 16.193 18.956 1.00 0.00 O ATOM 1653 CB SER A 117 -13.107 16.981 17.055 1.00 0.00 C ATOM 1654 OG SER A 117 -13.637 16.880 18.368 1.00 0.00 O ATOM 0 H SER A 117 -11.742 17.370 14.999 1.00 0.00 H new ATOM 0 HA SER A 117 -11.516 18.261 17.740 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.659 17.729 16.485 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.222 16.032 16.531 1.00 0.00 H new ATOM 0 HG SER A 117 -14.585 16.636 18.320 1.00 0.00 H new ATOM 1660 N LEU A 118 -10.415 15.265 16.974 1.00 0.00 N ATOM 1661 CA LEU A 118 -9.641 14.120 17.533 1.00 0.00 C ATOM 1662 C LEU A 118 -8.282 14.613 18.036 1.00 0.00 C ATOM 1663 O LEU A 118 -7.845 14.261 19.114 1.00 0.00 O ATOM 1664 CB LEU A 118 -9.429 13.069 16.444 1.00 0.00 C ATOM 1665 CG LEU A 118 -10.767 12.407 16.106 1.00 0.00 C ATOM 1666 CD1 LEU A 118 -10.753 11.943 14.648 1.00 0.00 C ATOM 1667 CD2 LEU A 118 -10.985 11.201 17.023 1.00 0.00 C ATOM 0 H LEU A 118 -10.575 15.231 15.967 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.195 13.680 18.362 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.006 13.533 15.553 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.715 12.318 16.782 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.574 13.125 16.251 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.706 11.471 14.407 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.597 12.801 13.994 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -9.946 11.225 14.502 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -11.938 10.729 16.783 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.178 10.483 16.878 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.995 11.531 18.062 1.00 0.00 H new ATOM 1679 N ILE A 119 -7.606 15.418 17.264 1.00 0.00 N ATOM 1680 CA ILE A 119 -6.274 15.923 17.702 1.00 0.00 C ATOM 1681 C ILE A 119 -6.415 16.659 19.035 1.00 0.00 C ATOM 1682 O ILE A 119 -5.537 16.618 19.873 1.00 0.00 O ATOM 1683 CB ILE A 119 -5.717 16.881 16.646 1.00 0.00 C ATOM 1684 CG1 ILE A 119 -5.630 16.161 15.299 1.00 0.00 C ATOM 1685 CG2 ILE A 119 -4.323 17.346 17.067 1.00 0.00 C ATOM 1686 CD1 ILE A 119 -5.488 17.191 14.178 1.00 0.00 C ATOM 0 H ILE A 119 -7.917 15.748 16.350 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.592 15.081 17.825 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.376 17.744 16.554 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -4.778 15.481 15.293 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -6.522 15.556 15.140 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.925 18.028 16.316 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -4.385 17.859 18.027 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -3.664 16.483 17.159 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -5.426 16.678 13.218 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.354 17.853 14.180 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -4.583 17.777 14.335 1.00 0.00 H new ATOM 1698 N GLY A 120 -7.514 17.333 19.238 1.00 0.00 N ATOM 1699 CA GLY A 120 -7.708 18.072 20.518 1.00 0.00 C ATOM 1700 C GLY A 120 -7.881 17.073 21.666 1.00 0.00 C ATOM 1701 O GLY A 120 -7.502 17.333 22.790 1.00 0.00 O ATOM 0 H GLY A 120 -8.285 17.404 18.574 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -6.851 18.718 20.710 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -8.584 18.717 20.448 1.00 0.00 H new ATOM 1705 N MET A 121 -8.455 15.935 21.391 1.00 0.00 N ATOM 1706 CA MET A 121 -8.657 14.921 22.465 1.00 0.00 C ATOM 1707 C MET A 121 -7.311 14.306 22.857 1.00 0.00 C ATOM 1708 O MET A 121 -7.049 14.050 24.015 1.00 0.00 O ATOM 1709 CB MET A 121 -9.589 13.821 21.953 1.00 0.00 C ATOM 1710 CG MET A 121 -9.947 12.875 23.101 1.00 0.00 C ATOM 1711 SD MET A 121 -10.863 11.456 22.451 1.00 0.00 S ATOM 1712 CE MET A 121 -12.339 12.360 21.923 1.00 0.00 C ATOM 0 H MET A 121 -8.794 15.662 20.468 1.00 0.00 H new ATOM 0 HA MET A 121 -9.100 15.402 23.337 1.00 0.00 H new ATOM 0 HB2 MET A 121 -10.494 14.262 21.537 1.00 0.00 H new ATOM 0 HB3 MET A 121 -9.106 13.266 21.149 1.00 0.00 H new ATOM 0 HG2 MET A 121 -9.041 12.537 23.604 1.00 0.00 H new ATOM 0 HG3 MET A 121 -10.547 13.399 23.845 1.00 0.00 H new ATOM 0 HE1 MET A 121 -13.189 11.679 21.888 1.00 0.00 H new ATOM 0 HE2 MET A 121 -12.546 13.163 22.630 1.00 0.00 H new ATOM 0 HE3 MET A 121 -12.172 12.783 20.932 1.00 0.00 H new ATOM 1722 N PHE A 122 -6.457 14.061 21.900 1.00 0.00 N ATOM 1723 CA PHE A 122 -5.132 13.456 22.222 1.00 0.00 C ATOM 1724 C PHE A 122 -4.308 14.435 23.060 1.00 0.00 C ATOM 1725 O PHE A 122 -3.539 14.041 23.914 1.00 0.00 O ATOM 1726 CB PHE A 122 -4.387 13.142 20.924 1.00 0.00 C ATOM 1727 CG PHE A 122 -5.106 12.036 20.189 1.00 0.00 C ATOM 1728 CD1 PHE A 122 -5.058 10.725 20.678 1.00 0.00 C ATOM 1729 CD2 PHE A 122 -5.821 12.321 19.020 1.00 0.00 C ATOM 1730 CE1 PHE A 122 -5.725 9.700 19.996 1.00 0.00 C ATOM 1731 CE2 PHE A 122 -6.488 11.297 18.339 1.00 0.00 C ATOM 1732 CZ PHE A 122 -6.440 9.985 18.828 1.00 0.00 C ATOM 0 H PHE A 122 -6.619 14.253 20.911 1.00 0.00 H new ATOM 0 HA PHE A 122 -5.283 12.536 22.788 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.331 14.033 20.299 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.362 12.842 21.143 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.507 10.504 21.580 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.858 13.332 18.643 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -5.687 8.688 20.372 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -7.039 11.518 17.437 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.955 9.194 18.303 1.00 0.00 H new ATOM 1742 N ALA A 123 -4.461 15.709 22.823 1.00 0.00 N ATOM 1743 CA ALA A 123 -3.686 16.709 23.608 1.00 0.00 C ATOM 1744 C ALA A 123 -4.185 16.718 25.054 1.00 0.00 C ATOM 1745 O ALA A 123 -3.454 17.033 25.971 1.00 0.00 O ATOM 1746 CB ALA A 123 -3.876 18.095 22.993 1.00 0.00 C ATOM 0 H ALA A 123 -5.089 16.100 22.120 1.00 0.00 H new ATOM 0 HA ALA A 123 -2.628 16.446 23.591 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -3.309 18.828 23.567 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.521 18.088 21.962 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -4.933 18.359 23.011 1.00 0.00 H new