USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 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 78 GLN : amide:sc= -2.25! C(o=-2.1!,f=-3.8!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 140:sc= 0.147 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= -0.0571 (180deg=-0.625) USER MOD Single : A 4 GLN : amide:sc= -2.34! C(o=-2.3!,f=-2.7!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= -1.82! (180deg=-2.48!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 137:sc= -0.854 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -165:sc= -0.135 (180deg=-0.174) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -1.41 (180deg=-3.04!) USER MOD Single : A 43 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.0042) USER MOD Single : A 44 SER OG : rot 95:sc= 0.904 USER MOD Single : A 46 SER OG : rot -38:sc= 0.177 USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.132 (180deg=-0.604) USER MOD Single : A 49 TYR OH : rot -163:sc= 0.853 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.28) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 67 SER OG : rot -30:sc= 0.101 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.642 USER MOD Single : A 76 THR OG1 : rot 101:sc= 0.434 USER MOD Single : A 81 LYS NZ :NH3+ 158:sc= -2 (180deg=-3.21!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.532 K(o=-0.53,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.31! X(o=-3.3!,f=-3) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.0173 K(o=-0.017,f=-1.4!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -1.7! K(o=-1.7!,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.501 -2.389 8.939 1.00 0.20 N ATOM 37 CA LYS A 3 -1.508 -3.444 9.315 1.00 0.18 C ATOM 38 C LYS A 3 -0.143 -3.042 8.755 1.00 0.15 C ATOM 39 O LYS A 3 -0.022 -2.756 7.582 1.00 0.16 O ATOM 40 CB LYS A 3 -1.927 -4.770 8.664 1.00 0.19 C ATOM 41 CG LYS A 3 -0.995 -5.917 9.098 1.00 0.20 C ATOM 42 CD LYS A 3 -1.458 -6.504 10.434 1.00 0.81 C ATOM 43 CE LYS A 3 -0.489 -7.606 10.865 1.00 1.03 C ATOM 44 NZ LYS A 3 -0.471 -8.687 9.838 1.00 1.67 N ATOM 0 HA LYS A 3 -1.463 -3.552 10.399 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.954 -5.007 8.941 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.905 -4.669 7.579 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -0.986 -6.695 8.335 1.00 0.20 H new ATOM 0 HG3 LYS A 3 0.027 -5.549 9.190 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.499 -5.723 11.193 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.466 -6.908 10.337 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.512 -7.194 10.992 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -0.791 -8.013 11.830 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.085 -9.557 10.257 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -1.440 -8.864 9.503 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 0.124 -8.395 9.037 1.00 1.67 H new ATOM 58 N GLN A 4 0.888 -3.047 9.563 1.00 0.15 N ATOM 59 CA GLN A 4 2.245 -2.688 9.042 1.00 0.14 C ATOM 60 C GLN A 4 3.015 -3.974 8.753 1.00 0.12 C ATOM 61 O GLN A 4 3.177 -4.819 9.614 1.00 0.13 O ATOM 62 CB GLN A 4 2.999 -1.870 10.089 1.00 0.16 C ATOM 63 CG GLN A 4 4.382 -1.471 9.555 1.00 0.17 C ATOM 64 CD GLN A 4 5.077 -0.609 10.611 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.986 -0.892 11.790 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.760 0.446 10.241 1.00 0.31 N ATOM 0 H GLN A 4 0.851 -3.282 10.555 1.00 0.15 H new ATOM 0 HA GLN A 4 2.146 -2.098 8.131 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.428 -0.977 10.344 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.108 -2.451 11.005 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.976 -2.359 9.339 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.283 -0.919 8.620 1.00 0.17 H new ATOM 0 HE21 GLN A 4 5.836 0.683 9.252 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.216 1.030 10.942 1.00 0.31 H new ATOM 75 N ILE A 5 3.499 -4.123 7.551 1.00 0.10 N ATOM 76 CA ILE A 5 4.270 -5.344 7.185 1.00 0.10 C ATOM 77 C ILE A 5 5.753 -4.991 7.157 1.00 0.10 C ATOM 78 O ILE A 5 6.193 -4.227 6.322 1.00 0.11 O ATOM 79 CB ILE A 5 3.842 -5.792 5.793 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.310 -5.886 5.726 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.452 -7.150 5.478 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.783 -6.760 6.872 1.00 0.19 C ATOM 0 H ILE A 5 3.392 -3.443 6.798 1.00 0.10 H new ATOM 0 HA ILE A 5 4.087 -6.140 7.907 1.00 0.10 H new ATOM 0 HB ILE A 5 4.190 -5.064 5.061 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.874 -4.889 5.789 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.006 -6.307 4.768 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.143 -7.466 4.482 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.539 -7.078 5.515 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.112 -7.881 6.212 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.696 -6.819 6.814 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.206 -7.761 6.790 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.072 -6.321 7.827 1.00 0.19 H new ATOM 94 N GLU A 6 6.529 -5.535 8.055 1.00 0.11 N ATOM 95 CA GLU A 6 7.987 -5.215 8.068 1.00 0.13 C ATOM 96 C GLU A 6 8.774 -6.322 7.358 1.00 0.12 C ATOM 97 O GLU A 6 9.984 -6.260 7.249 1.00 0.13 O ATOM 98 CB GLU A 6 8.463 -5.091 9.519 1.00 0.15 C ATOM 99 CG GLU A 6 7.692 -3.976 10.224 1.00 0.17 C ATOM 100 CD GLU A 6 8.099 -2.619 9.646 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.066 -2.575 8.904 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.440 -1.644 9.964 1.00 2.25 O ATOM 0 H GLU A 6 6.219 -6.185 8.778 1.00 0.11 H new ATOM 0 HA GLU A 6 8.155 -4.273 7.545 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.314 -6.036 10.042 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.532 -4.878 9.544 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.620 -4.128 10.100 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.895 -4.001 11.295 1.00 0.17 H new ATOM 109 N SER A 7 8.102 -7.335 6.867 1.00 0.12 N ATOM 110 CA SER A 7 8.833 -8.444 6.164 1.00 0.13 C ATOM 111 C SER A 7 7.945 -9.112 5.109 1.00 0.12 C ATOM 112 O SER A 7 6.733 -9.114 5.206 1.00 0.12 O ATOM 113 CB SER A 7 9.217 -9.496 7.195 1.00 0.15 C ATOM 114 OG SER A 7 8.032 -9.995 7.801 1.00 0.15 O ATOM 0 H SER A 7 7.089 -7.445 6.920 1.00 0.12 H new ATOM 0 HA SER A 7 9.710 -8.024 5.672 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.769 -10.307 6.720 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.874 -9.063 7.950 1.00 0.15 H new ATOM 0 HG SER A 7 8.266 -10.675 8.466 1.00 0.15 H new ATOM 120 N LYS A 8 8.549 -9.716 4.118 1.00 0.14 N ATOM 121 CA LYS A 8 7.759 -10.423 3.069 1.00 0.15 C ATOM 122 C LYS A 8 7.031 -11.601 3.721 1.00 0.15 C ATOM 123 O LYS A 8 5.952 -11.984 3.321 1.00 0.16 O ATOM 124 CB LYS A 8 8.711 -10.940 1.990 1.00 0.18 C ATOM 125 CG LYS A 8 7.914 -11.404 0.764 1.00 0.21 C ATOM 126 CD LYS A 8 8.873 -11.935 -0.317 1.00 0.43 C ATOM 127 CE LYS A 8 9.727 -13.090 0.230 1.00 0.80 C ATOM 128 NZ LYS A 8 8.937 -13.898 1.205 1.00 1.65 N ATOM 0 H LYS A 8 9.561 -9.749 3.991 1.00 0.14 H new ATOM 0 HA LYS A 8 7.035 -9.745 2.616 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.410 -10.154 1.703 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.304 -11.766 2.382 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.209 -12.184 1.052 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.327 -10.576 0.366 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.302 -12.276 -1.180 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.521 -11.129 -0.662 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.063 -13.724 -0.591 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.620 -12.694 0.714 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 9.352 -14.848 1.285 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 8.954 -13.434 2.135 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 7.954 -13.976 0.875 1.00 1.65 H new ATOM 142 N THR A 9 7.623 -12.184 4.731 1.00 0.15 N ATOM 143 CA THR A 9 6.967 -13.346 5.400 1.00 0.17 C ATOM 144 C THR A 9 5.590 -12.932 5.901 1.00 0.16 C ATOM 145 O THR A 9 4.599 -13.590 5.649 1.00 0.17 O ATOM 146 CB THR A 9 7.816 -13.799 6.590 1.00 0.19 C ATOM 147 OG1 THR A 9 9.104 -14.178 6.131 1.00 0.22 O ATOM 148 CG2 THR A 9 7.147 -14.988 7.283 1.00 0.23 C ATOM 0 H THR A 9 8.525 -11.908 5.119 1.00 0.15 H new ATOM 0 HA THR A 9 6.870 -14.164 4.686 1.00 0.17 H new ATOM 0 HB THR A 9 7.908 -12.978 7.301 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.650 -14.467 6.892 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.756 -15.306 8.129 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.159 -14.694 7.637 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.049 -15.812 6.577 1.00 0.23 H new ATOM 156 N ALA A 10 5.514 -11.841 6.599 1.00 0.15 N ATOM 157 CA ALA A 10 4.195 -11.383 7.091 1.00 0.15 C ATOM 158 C ALA A 10 3.353 -10.928 5.898 1.00 0.14 C ATOM 159 O ALA A 10 2.144 -11.018 5.910 1.00 0.15 O ATOM 160 CB ALA A 10 4.384 -10.239 8.088 1.00 0.17 C ATOM 0 H ALA A 10 6.306 -11.248 6.849 1.00 0.15 H new ATOM 0 HA ALA A 10 3.681 -12.198 7.601 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.411 -9.905 8.447 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.983 -10.586 8.930 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.894 -9.410 7.598 1.00 0.17 H new ATOM 166 N PHE A 11 3.986 -10.444 4.860 1.00 0.14 N ATOM 167 CA PHE A 11 3.213 -9.984 3.665 1.00 0.13 C ATOM 168 C PHE A 11 2.408 -11.145 3.103 1.00 0.14 C ATOM 169 O PHE A 11 1.249 -11.011 2.761 1.00 0.14 O ATOM 170 CB PHE A 11 4.197 -9.513 2.583 1.00 0.14 C ATOM 171 CG PHE A 11 3.439 -8.849 1.455 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.750 -7.654 1.682 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.437 -9.423 0.174 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.053 -7.037 0.639 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.744 -8.804 -0.865 1.00 0.14 C ATOM 176 CZ PHE A 11 2.050 -7.613 -0.633 1.00 0.14 C ATOM 0 H PHE A 11 4.999 -10.347 4.787 1.00 0.14 H new ATOM 0 HA PHE A 11 2.547 -9.172 3.957 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.916 -8.814 3.011 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.766 -10.361 2.202 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.756 -7.207 2.665 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.972 -10.344 -0.006 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.518 -6.116 0.817 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.743 -9.245 -1.851 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.511 -7.138 -1.439 1.00 0.14 H new ATOM 186 N GLN A 12 3.016 -12.283 3.008 1.00 0.14 N ATOM 187 CA GLN A 12 2.300 -13.463 2.465 1.00 0.16 C ATOM 188 C GLN A 12 1.154 -13.821 3.421 1.00 0.15 C ATOM 189 O GLN A 12 0.046 -14.102 3.008 1.00 0.16 O ATOM 190 CB GLN A 12 3.294 -14.625 2.404 1.00 0.18 C ATOM 191 CG GLN A 12 4.415 -14.289 1.417 1.00 0.17 C ATOM 192 CD GLN A 12 3.843 -14.155 0.003 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.832 -13.080 -0.566 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.363 -15.213 -0.588 1.00 1.31 N ATOM 0 H GLN A 12 3.984 -12.451 3.284 1.00 0.14 H new ATOM 0 HA GLN A 12 1.897 -13.257 1.473 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.711 -14.813 3.393 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.784 -15.537 2.094 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.903 -13.360 1.711 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.176 -15.069 1.438 1.00 0.17 H new ATOM 0 HE21 GLN A 12 3.373 -16.114 -0.109 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.977 -15.140 -1.529 1.00 1.31 H new ATOM 203 N GLU A 13 1.425 -13.792 4.700 1.00 0.16 N ATOM 204 CA GLU A 13 0.378 -14.112 5.716 1.00 0.17 C ATOM 205 C GLU A 13 -0.735 -13.063 5.675 1.00 0.15 C ATOM 206 O GLU A 13 -1.898 -13.368 5.856 1.00 0.16 O ATOM 207 CB GLU A 13 1.015 -14.145 7.116 1.00 0.19 C ATOM 208 CG GLU A 13 1.718 -15.490 7.347 1.00 0.28 C ATOM 209 CD GLU A 13 2.791 -15.716 6.282 1.00 0.95 C ATOM 210 OE1 GLU A 13 2.429 -15.930 5.137 1.00 1.77 O ATOM 211 OE2 GLU A 13 3.958 -15.678 6.634 1.00 1.67 O ATOM 0 H GLU A 13 2.338 -13.557 5.088 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.052 -15.088 5.491 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.732 -13.330 7.217 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.249 -13.992 7.876 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.171 -15.506 8.338 1.00 0.28 H new ATOM 0 HG3 GLU A 13 0.989 -16.300 7.316 1.00 0.28 H new ATOM 218 N ALA A 14 -0.390 -11.827 5.463 1.00 0.15 N ATOM 219 CA ALA A 14 -1.431 -10.766 5.434 1.00 0.14 C ATOM 220 C ALA A 14 -2.317 -10.975 4.211 1.00 0.13 C ATOM 221 O ALA A 14 -3.523 -10.848 4.278 1.00 0.13 O ATOM 222 CB ALA A 14 -0.766 -9.391 5.369 1.00 0.15 C ATOM 0 H ALA A 14 0.566 -11.505 5.309 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.038 -10.819 6.338 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.533 -8.617 5.348 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.133 -9.251 6.245 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.157 -9.323 4.467 1.00 0.15 H new ATOM 228 N LEU A 15 -1.734 -11.311 3.093 1.00 0.12 N ATOM 229 CA LEU A 15 -2.558 -11.542 1.879 1.00 0.12 C ATOM 230 C LEU A 15 -3.537 -12.682 2.157 1.00 0.13 C ATOM 231 O LEU A 15 -4.681 -12.649 1.750 1.00 0.13 O ATOM 232 CB LEU A 15 -1.650 -11.936 0.712 1.00 0.13 C ATOM 233 CG LEU A 15 -0.807 -10.733 0.265 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.285 -11.211 -0.706 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.692 -9.673 -0.423 1.00 0.17 C ATOM 0 H LEU A 15 -0.729 -11.434 2.970 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.102 -10.632 1.625 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.997 -12.756 1.011 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.253 -12.296 -0.122 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.347 -10.279 1.142 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.886 -10.360 -1.026 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.924 -11.938 -0.205 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.180 -11.674 -1.576 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.075 -8.829 -0.732 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.171 -10.112 -1.298 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.456 -9.328 0.274 1.00 0.17 H new ATOM 247 N ASP A 16 -3.085 -13.698 2.845 1.00 0.13 N ATOM 248 CA ASP A 16 -3.973 -14.856 3.151 1.00 0.15 C ATOM 249 C ASP A 16 -5.056 -14.446 4.156 1.00 0.15 C ATOM 250 O ASP A 16 -6.177 -14.912 4.103 1.00 0.16 O ATOM 251 CB ASP A 16 -3.135 -15.988 3.755 1.00 0.17 C ATOM 252 CG ASP A 16 -3.965 -17.276 3.803 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.136 -17.194 4.140 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.414 -18.324 3.507 1.00 1.07 O ATOM 0 H ASP A 16 -2.135 -13.775 3.209 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.449 -15.189 2.229 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.236 -16.145 3.159 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.809 -15.716 4.759 1.00 0.17 H new ATOM 259 N ALA A 17 -4.717 -13.599 5.089 1.00 0.15 N ATOM 260 CA ALA A 17 -5.711 -13.174 6.122 1.00 0.16 C ATOM 261 C ALA A 17 -6.797 -12.299 5.493 1.00 0.15 C ATOM 262 O ALA A 17 -7.949 -12.356 5.872 1.00 0.17 O ATOM 263 CB ALA A 17 -4.994 -12.390 7.222 1.00 0.18 C ATOM 0 H ALA A 17 -3.792 -13.180 5.183 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.181 -14.061 6.546 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.716 -12.079 7.977 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.236 -13.022 7.684 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.518 -11.510 6.790 1.00 0.18 H new ATOM 269 N ALA A 18 -6.442 -11.486 4.542 1.00 0.14 N ATOM 270 CA ALA A 18 -7.461 -10.609 3.903 1.00 0.15 C ATOM 271 C ALA A 18 -8.514 -11.474 3.222 1.00 0.14 C ATOM 272 O ALA A 18 -9.667 -11.104 3.117 1.00 0.17 O ATOM 273 CB ALA A 18 -6.791 -9.723 2.859 1.00 0.15 C ATOM 0 H ALA A 18 -5.494 -11.390 4.179 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.930 -9.985 4.664 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.539 -9.082 2.392 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.032 -9.105 3.339 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.323 -10.348 2.098 1.00 0.15 H new ATOM 279 N GLY A 19 -8.124 -12.622 2.751 1.00 0.16 N ATOM 280 CA GLY A 19 -9.096 -13.517 2.069 1.00 0.20 C ATOM 281 C GLY A 19 -9.547 -12.874 0.757 1.00 0.16 C ATOM 282 O GLY A 19 -8.741 -12.520 -0.082 1.00 0.17 O ATOM 0 H GLY A 19 -7.171 -12.981 2.809 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.638 -14.487 1.873 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.957 -13.696 2.714 1.00 0.20 H new ATOM 286 N ASP A 20 -10.831 -12.731 0.567 1.00 0.15 N ATOM 287 CA ASP A 20 -11.348 -12.125 -0.698 1.00 0.14 C ATOM 288 C ASP A 20 -11.531 -10.607 -0.539 1.00 0.12 C ATOM 289 O ASP A 20 -12.032 -9.944 -1.425 1.00 0.13 O ATOM 290 CB ASP A 20 -12.694 -12.759 -1.044 1.00 0.15 C ATOM 291 CG ASP A 20 -12.506 -14.254 -1.316 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.529 -14.603 -1.958 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.345 -15.024 -0.876 1.00 1.07 O ATOM 0 H ASP A 20 -11.549 -13.009 1.236 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.627 -12.309 -1.495 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.397 -12.614 -0.223 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.122 -12.271 -1.920 1.00 0.15 H new ATOM 298 N LYS A 21 -11.136 -10.047 0.574 1.00 0.12 N ATOM 299 CA LYS A 21 -11.303 -8.570 0.763 1.00 0.12 C ATOM 300 C LYS A 21 -10.252 -7.839 -0.078 1.00 0.10 C ATOM 301 O LYS A 21 -9.166 -8.341 -0.289 1.00 0.11 O ATOM 302 CB LYS A 21 -11.086 -8.215 2.239 1.00 0.15 C ATOM 303 CG LYS A 21 -12.244 -8.743 3.096 1.00 0.21 C ATOM 304 CD LYS A 21 -12.239 -8.030 4.457 1.00 0.31 C ATOM 305 CE LYS A 21 -13.066 -8.828 5.469 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.192 -8.047 6.731 1.00 1.50 N ATOM 0 H LYS A 21 -10.708 -10.541 1.357 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.306 -8.274 0.456 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.145 -8.641 2.587 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.007 -7.134 2.351 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.193 -8.574 2.588 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.145 -9.819 3.237 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.216 -7.921 4.816 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.648 -7.025 4.352 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.054 -9.041 5.060 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.589 -9.788 5.668 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.754 -8.588 7.419 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.246 -7.865 7.123 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -13.665 -7.142 6.533 1.00 1.50 H new ATOM 320 N LEU A 22 -10.553 -6.658 -0.562 1.00 0.11 N ATOM 321 CA LEU A 22 -9.548 -5.932 -1.381 1.00 0.12 C ATOM 322 C LEU A 22 -8.315 -5.730 -0.487 1.00 0.12 C ATOM 323 O LEU A 22 -8.406 -5.800 0.723 1.00 0.14 O ATOM 324 CB LEU A 22 -10.153 -4.573 -1.818 1.00 0.15 C ATOM 325 CG LEU A 22 -9.775 -4.210 -3.268 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.331 -2.804 -3.617 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.248 -4.219 -3.450 1.00 0.47 C ATOM 0 H LEU A 22 -11.441 -6.175 -0.425 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.269 -6.481 -2.280 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.238 -4.613 -1.726 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.805 -3.789 -1.146 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.210 -4.953 -3.936 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.062 -2.551 -4.642 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.416 -2.807 -3.517 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.906 -2.066 -2.937 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.003 -3.960 -4.480 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.797 -3.491 -2.776 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.860 -5.212 -3.223 1.00 0.47 H new ATOM 339 N VAL A 23 -7.168 -5.487 -1.056 1.00 0.11 N ATOM 340 CA VAL A 23 -5.950 -5.293 -0.229 1.00 0.11 C ATOM 341 C VAL A 23 -5.034 -4.297 -0.925 1.00 0.11 C ATOM 342 O VAL A 23 -4.464 -4.588 -1.958 1.00 0.17 O ATOM 343 CB VAL A 23 -5.215 -6.631 -0.080 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.885 -6.406 0.655 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.085 -7.618 0.710 1.00 0.12 C ATOM 0 H VAL A 23 -7.023 -5.414 -2.063 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.230 -4.919 0.756 1.00 0.11 H new ATOM 0 HB VAL A 23 -5.016 -7.045 -1.068 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.363 -7.357 0.761 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.266 -5.714 0.084 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.081 -5.988 1.642 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.558 -8.566 0.813 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.292 -7.209 1.699 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -7.024 -7.780 0.180 1.00 0.12 H new ATOM 355 N VAL A 24 -4.879 -3.124 -0.368 1.00 0.09 N ATOM 356 CA VAL A 24 -3.985 -2.109 -0.998 1.00 0.09 C ATOM 357 C VAL A 24 -2.656 -2.102 -0.237 1.00 0.09 C ATOM 358 O VAL A 24 -2.626 -2.297 0.964 1.00 0.10 O ATOM 359 CB VAL A 24 -4.634 -0.723 -0.925 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.764 0.283 -1.685 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.025 -0.774 -1.564 1.00 0.14 C ATOM 0 H VAL A 24 -5.333 -2.826 0.495 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.817 -2.357 -2.046 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.724 -0.418 0.118 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.222 1.271 -1.636 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.772 0.320 -1.234 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.677 -0.025 -2.727 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.486 0.212 -1.512 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.935 -1.078 -2.607 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.645 -1.493 -1.029 1.00 0.14 H new ATOM 371 N VAL A 25 -1.555 -1.902 -0.924 1.00 0.09 N ATOM 372 CA VAL A 25 -0.217 -1.900 -0.239 1.00 0.09 C ATOM 373 C VAL A 25 0.530 -0.609 -0.580 1.00 0.10 C ATOM 374 O VAL A 25 0.789 -0.321 -1.730 1.00 0.11 O ATOM 375 CB VAL A 25 0.600 -3.103 -0.722 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.893 -3.220 0.087 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.219 -4.386 -0.551 1.00 0.10 C ATOM 0 H VAL A 25 -1.523 -1.740 -1.931 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.360 -1.962 0.840 1.00 0.09 H new ATOM 0 HB VAL A 25 0.845 -2.961 -1.775 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.466 -4.078 -0.265 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.484 -2.313 -0.039 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.652 -3.352 1.142 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.365 -5.239 -0.896 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.471 -4.520 0.501 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.135 -4.313 -1.137 1.00 0.10 H new ATOM 387 N ASP A 26 0.893 0.163 0.412 1.00 0.11 N ATOM 388 CA ASP A 26 1.638 1.437 0.149 1.00 0.12 C ATOM 389 C ASP A 26 3.142 1.225 0.380 1.00 0.14 C ATOM 390 O ASP A 26 3.571 0.899 1.466 1.00 0.20 O ATOM 391 CB ASP A 26 1.129 2.529 1.097 1.00 0.14 C ATOM 392 CG ASP A 26 1.838 3.846 0.778 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.764 4.277 -0.359 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.438 4.405 1.681 1.00 1.04 O ATOM 0 H ASP A 26 0.706 -0.032 1.396 1.00 0.11 H new ATOM 0 HA ASP A 26 1.474 1.739 -0.885 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.051 2.647 0.988 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.316 2.244 2.132 1.00 0.14 H new ATOM 399 N PHE A 27 3.945 1.430 -0.630 1.00 0.13 N ATOM 400 CA PHE A 27 5.429 1.268 -0.480 1.00 0.13 C ATOM 401 C PHE A 27 6.067 2.625 -0.192 1.00 0.22 C ATOM 402 O PHE A 27 7.234 2.833 -0.444 1.00 0.73 O ATOM 403 CB PHE A 27 6.032 0.688 -1.767 1.00 0.11 C ATOM 404 CG PHE A 27 5.705 -0.783 -1.874 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.487 -1.722 -1.184 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.638 -1.212 -2.669 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.197 -3.089 -1.288 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.349 -2.579 -2.771 1.00 0.14 C ATOM 409 CZ PHE A 27 5.129 -3.516 -2.081 1.00 0.14 C ATOM 0 H PHE A 27 3.637 1.705 -1.563 1.00 0.13 H new ATOM 0 HA PHE A 27 5.626 0.586 0.347 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.640 1.220 -2.634 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.113 0.830 -1.768 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.313 -1.391 -0.572 1.00 0.11 H new ATOM 0 HD2 PHE A 27 4.038 -0.491 -3.204 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.798 -3.811 -0.756 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.523 -2.911 -3.383 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.905 -4.569 -2.162 1.00 0.14 H new ATOM 419 N SER A 28 5.315 3.563 0.303 1.00 0.30 N ATOM 420 CA SER A 28 5.901 4.907 0.565 1.00 0.24 C ATOM 421 C SER A 28 7.113 4.786 1.479 1.00 0.24 C ATOM 422 O SER A 28 7.183 3.929 2.337 1.00 0.28 O ATOM 423 CB SER A 28 4.867 5.806 1.242 1.00 0.27 C ATOM 424 OG SER A 28 3.736 5.945 0.391 1.00 0.29 O ATOM 0 H SER A 28 4.327 3.461 0.537 1.00 0.30 H new ATOM 0 HA SER A 28 6.202 5.340 -0.389 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.567 5.378 2.198 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.300 6.784 1.453 1.00 0.27 H new ATOM 0 HG SER A 28 2.916 5.868 0.922 1.00 0.29 H new ATOM 430 N ALA A 29 8.069 5.656 1.299 1.00 0.20 N ATOM 431 CA ALA A 29 9.286 5.626 2.151 1.00 0.21 C ATOM 432 C ALA A 29 9.007 6.442 3.407 1.00 0.22 C ATOM 433 O ALA A 29 8.597 7.583 3.335 1.00 0.22 O ATOM 434 CB ALA A 29 10.469 6.230 1.377 1.00 0.19 C ATOM 0 H ALA A 29 8.057 6.391 0.592 1.00 0.20 H new ATOM 0 HA ALA A 29 9.537 4.601 2.424 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.362 6.208 2.002 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.646 5.650 0.471 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.240 7.261 1.108 1.00 0.19 H new ATOM 440 N THR A 30 9.214 5.872 4.561 1.00 0.23 N ATOM 441 CA THR A 30 8.941 6.634 5.804 1.00 0.24 C ATOM 442 C THR A 30 9.951 7.772 5.927 1.00 0.22 C ATOM 443 O THR A 30 9.658 8.815 6.478 1.00 0.22 O ATOM 444 CB THR A 30 9.059 5.711 7.021 1.00 0.28 C ATOM 445 OG1 THR A 30 8.822 6.462 8.204 1.00 0.30 O ATOM 446 CG2 THR A 30 10.460 5.095 7.074 1.00 0.29 C ATOM 0 H THR A 30 9.557 4.921 4.694 1.00 0.23 H new ATOM 0 HA THR A 30 7.930 7.040 5.763 1.00 0.24 H new ATOM 0 HB THR A 30 8.323 4.911 6.941 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.895 5.874 8.985 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.537 4.440 7.942 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.638 4.518 6.167 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.204 5.888 7.151 1.00 0.29 H new ATOM 454 N TRP A 31 11.136 7.593 5.413 1.00 0.22 N ATOM 455 CA TRP A 31 12.143 8.687 5.516 1.00 0.21 C ATOM 456 C TRP A 31 11.819 9.798 4.514 1.00 0.19 C ATOM 457 O TRP A 31 12.289 10.910 4.645 1.00 0.22 O ATOM 458 CB TRP A 31 13.536 8.140 5.219 1.00 0.23 C ATOM 459 CG TRP A 31 13.577 7.605 3.829 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.455 6.305 3.501 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.737 8.331 2.580 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.573 6.175 2.128 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.734 7.402 1.514 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.891 9.692 2.273 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.878 7.813 0.189 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.031 10.109 0.943 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.025 9.172 -0.096 1.00 0.21 C ATOM 0 H TRP A 31 11.448 6.749 4.932 1.00 0.22 H new ATOM 0 HA TRP A 31 12.115 9.091 6.528 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.280 8.928 5.338 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.788 7.353 5.930 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.292 5.495 4.196 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.545 5.284 1.632 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.902 10.423 3.068 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.876 7.086 -0.610 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.144 11.159 0.718 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.134 9.500 -1.119 1.00 0.21 H new ATOM 478 N CYS A 32 11.016 9.519 3.519 1.00 0.18 N ATOM 479 CA CYS A 32 10.674 10.577 2.524 1.00 0.17 C ATOM 480 C CYS A 32 9.517 11.415 3.086 1.00 0.17 C ATOM 481 O CYS A 32 8.465 10.905 3.421 1.00 0.20 O ATOM 482 CB CYS A 32 10.277 9.913 1.190 1.00 0.18 C ATOM 483 SG CYS A 32 10.112 11.180 -0.106 1.00 0.26 S ATOM 0 H CYS A 32 10.585 8.609 3.354 1.00 0.18 H new ATOM 0 HA CYS A 32 11.530 11.227 2.340 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.030 9.180 0.900 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.336 9.375 1.307 1.00 0.18 H new ATOM 488 N GLY A 33 9.730 12.697 3.226 1.00 0.20 N ATOM 489 CA GLY A 33 8.682 13.591 3.806 1.00 0.23 C ATOM 490 C GLY A 33 7.411 13.649 2.940 1.00 0.21 C ATOM 491 O GLY A 33 6.329 13.403 3.434 1.00 0.22 O ATOM 0 H GLY A 33 10.595 13.169 2.961 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.422 13.240 4.804 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.088 14.596 3.917 1.00 0.23 H new ATOM 495 N PRO A 34 7.508 13.985 1.673 1.00 0.21 N ATOM 496 CA PRO A 34 6.287 14.058 0.822 1.00 0.22 C ATOM 497 C PRO A 34 5.567 12.711 0.732 1.00 0.22 C ATOM 498 O PRO A 34 4.363 12.653 0.602 1.00 0.24 O ATOM 499 CB PRO A 34 6.847 14.518 -0.537 1.00 0.29 C ATOM 500 CG PRO A 34 8.386 14.444 -0.473 1.00 0.31 C ATOM 501 CD PRO A 34 8.801 14.303 1.003 1.00 0.24 C ATOM 0 HA PRO A 34 5.526 14.731 1.217 1.00 0.22 H new ATOM 0 HB2 PRO A 34 6.469 13.884 -1.339 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.524 15.536 -0.757 1.00 0.29 H new ATOM 0 HG2 PRO A 34 8.750 13.596 -1.053 1.00 0.31 H new ATOM 0 HG3 PRO A 34 8.828 15.340 -0.908 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.536 13.511 1.144 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.243 15.221 1.390 1.00 0.24 H new ATOM 509 N ALA A 35 6.287 11.629 0.826 1.00 0.21 N ATOM 510 CA ALA A 35 5.617 10.304 0.765 1.00 0.23 C ATOM 511 C ALA A 35 4.902 10.070 2.099 1.00 0.23 C ATOM 512 O ALA A 35 3.731 9.755 2.141 1.00 0.22 O ATOM 513 CB ALA A 35 6.667 9.215 0.513 1.00 0.24 C ATOM 0 H ALA A 35 7.300 11.605 0.941 1.00 0.21 H new ATOM 0 HA ALA A 35 4.891 10.273 -0.047 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.178 8.242 0.468 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.174 9.410 -0.432 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.396 9.218 1.324 1.00 0.24 H new ATOM 519 N LYS A 36 5.595 10.261 3.192 1.00 0.25 N ATOM 520 CA LYS A 36 4.947 10.095 4.525 1.00 0.27 C ATOM 521 C LYS A 36 3.796 11.093 4.622 1.00 0.26 C ATOM 522 O LYS A 36 2.789 10.853 5.256 1.00 0.27 O ATOM 523 CB LYS A 36 5.957 10.380 5.639 1.00 0.33 C ATOM 524 CG LYS A 36 5.361 9.970 6.991 1.00 0.37 C ATOM 525 CD LYS A 36 6.275 10.460 8.119 1.00 0.44 C ATOM 526 CE LYS A 36 5.690 10.064 9.476 1.00 0.89 C ATOM 527 NZ LYS A 36 6.569 10.584 10.563 1.00 1.59 N ATOM 0 H LYS A 36 6.580 10.524 3.218 1.00 0.25 H new ATOM 0 HA LYS A 36 4.582 9.074 4.635 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.880 9.831 5.456 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.213 11.439 5.649 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.364 10.395 7.105 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.253 8.886 7.040 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.270 10.031 8.004 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.386 11.543 8.064 1.00 0.44 H new ATOM 0 HE2 LYS A 36 4.683 10.468 9.583 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.608 8.979 9.547 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.174 10.316 11.487 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.521 10.178 10.463 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.626 11.620 10.498 1.00 1.59 H new ATOM 541 N MET A 37 3.963 12.221 3.991 1.00 0.28 N ATOM 542 CA MET A 37 2.923 13.283 4.019 1.00 0.30 C ATOM 543 C MET A 37 1.600 12.738 3.478 1.00 0.25 C ATOM 544 O MET A 37 0.543 13.215 3.825 1.00 0.25 O ATOM 545 CB MET A 37 3.389 14.460 3.152 1.00 0.38 C ATOM 546 CG MET A 37 2.449 15.655 3.333 1.00 0.44 C ATOM 547 SD MET A 37 2.700 16.387 4.975 1.00 1.54 S ATOM 548 CE MET A 37 1.126 15.896 5.724 1.00 2.10 C ATOM 0 H MET A 37 4.793 12.455 3.447 1.00 0.28 H new ATOM 0 HA MET A 37 2.771 13.615 5.046 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.405 14.743 3.426 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.413 14.162 2.104 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.638 16.399 2.560 1.00 0.44 H new ATOM 0 HG3 MET A 37 1.413 15.335 3.221 1.00 0.44 H new ATOM 0 HE1 MET A 37 0.964 16.468 6.638 1.00 2.10 H new ATOM 0 HE2 MET A 37 0.313 16.092 5.024 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.152 14.833 5.962 1.00 2.10 H new ATOM 558 N ILE A 38 1.656 11.765 2.609 1.00 0.23 N ATOM 559 CA ILE A 38 0.405 11.196 2.017 1.00 0.25 C ATOM 560 C ILE A 38 -0.199 10.111 2.913 1.00 0.26 C ATOM 561 O ILE A 38 -1.219 9.534 2.589 1.00 0.31 O ATOM 562 CB ILE A 38 0.726 10.591 0.649 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.309 11.697 -0.237 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.553 10.018 0.012 1.00 0.35 C ATOM 565 CD1 ILE A 38 1.817 11.125 -1.563 1.00 0.49 C ATOM 0 H ILE A 38 2.520 11.335 2.280 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.321 12.003 1.921 1.00 0.25 H new ATOM 0 HB ILE A 38 1.445 9.779 0.756 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.548 12.453 -0.430 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.126 12.194 0.286 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.314 9.590 -0.961 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.966 9.243 0.658 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -1.286 10.815 -0.112 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.226 11.930 -2.174 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.595 10.387 -1.367 1.00 0.49 H new ATOM 0 HD13 ILE A 38 0.992 10.650 -2.094 1.00 0.49 H new ATOM 577 N LYS A 39 0.408 9.798 4.021 1.00 0.27 N ATOM 578 CA LYS A 39 -0.172 8.723 4.871 1.00 0.34 C ATOM 579 C LYS A 39 -1.591 9.059 5.388 1.00 0.30 C ATOM 580 O LYS A 39 -2.354 8.152 5.627 1.00 0.33 O ATOM 581 CB LYS A 39 0.760 8.349 6.050 1.00 0.46 C ATOM 582 CG LYS A 39 0.681 9.354 7.223 1.00 0.50 C ATOM 583 CD LYS A 39 1.261 8.722 8.500 1.00 0.65 C ATOM 584 CE LYS A 39 0.408 7.525 8.966 1.00 0.80 C ATOM 585 NZ LYS A 39 0.999 6.261 8.441 1.00 0.75 N ATOM 0 H LYS A 39 1.264 10.229 4.371 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.265 7.855 4.219 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.498 7.355 6.412 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.788 8.297 5.691 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.233 10.260 6.973 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.355 9.648 7.391 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.283 8.393 8.314 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.306 9.470 9.291 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.367 7.495 10.055 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.617 7.635 8.612 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.268 5.720 7.936 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.776 6.486 7.788 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.365 5.694 9.232 1.00 0.75 H new ATOM 599 N PRO A 40 -1.965 10.308 5.624 1.00 0.26 N ATOM 600 CA PRO A 40 -3.328 10.577 6.161 1.00 0.25 C ATOM 601 C PRO A 40 -4.438 10.074 5.243 1.00 0.20 C ATOM 602 O PRO A 40 -5.387 9.485 5.698 1.00 0.21 O ATOM 603 CB PRO A 40 -3.334 12.108 6.284 1.00 0.26 C ATOM 604 CG PRO A 40 -1.877 12.563 6.221 1.00 0.28 C ATOM 605 CD PRO A 40 -1.137 11.523 5.378 1.00 0.27 C ATOM 0 HA PRO A 40 -3.524 10.059 7.100 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.914 12.558 5.479 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.796 12.418 7.221 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.798 13.554 5.773 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.447 12.630 7.220 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -1.108 11.794 4.323 1.00 0.27 H new ATOM 0 HD3 PRO A 40 -0.105 11.390 5.702 1.00 0.27 H new ATOM 613 N PHE A 41 -4.345 10.294 3.959 1.00 0.16 N ATOM 614 CA PHE A 41 -5.433 9.797 3.077 1.00 0.13 C ATOM 615 C PHE A 41 -5.377 8.269 3.032 1.00 0.13 C ATOM 616 O PHE A 41 -6.369 7.591 3.189 1.00 0.15 O ATOM 617 CB PHE A 41 -5.241 10.357 1.660 1.00 0.14 C ATOM 618 CG PHE A 41 -5.709 11.786 1.617 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.899 12.795 2.140 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.953 12.101 1.059 1.00 0.22 C ATOM 621 CE1 PHE A 41 -5.330 14.125 2.107 1.00 0.34 C ATOM 622 CE2 PHE A 41 -7.388 13.430 1.025 1.00 0.31 C ATOM 623 CZ PHE A 41 -6.576 14.444 1.549 1.00 0.37 C ATOM 0 H PHE A 41 -3.581 10.784 3.494 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.399 10.121 3.465 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.191 10.298 1.374 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.801 9.758 0.942 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.939 12.549 2.570 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.577 11.318 0.655 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -4.703 14.906 2.511 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -8.348 13.674 0.595 1.00 0.31 H new ATOM 0 HZ PHE A 41 -6.910 15.471 1.523 1.00 0.37 H new ATOM 633 N PHE A 42 -4.210 7.720 2.869 1.00 0.12 N ATOM 634 CA PHE A 42 -4.087 6.237 2.848 1.00 0.13 C ATOM 635 C PHE A 42 -4.556 5.659 4.193 1.00 0.14 C ATOM 636 O PHE A 42 -5.397 4.783 4.254 1.00 0.16 O ATOM 637 CB PHE A 42 -2.618 5.879 2.565 1.00 0.13 C ATOM 638 CG PHE A 42 -2.448 4.380 2.555 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.761 3.638 1.408 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.992 3.728 3.708 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.622 2.244 1.418 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.848 2.335 3.716 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.166 1.593 2.570 1.00 0.13 C ATOM 0 H PHE A 42 -3.336 8.232 2.749 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.715 5.808 2.067 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.312 6.295 1.605 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.974 6.322 3.325 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.109 4.140 0.517 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.751 4.300 4.592 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.867 1.671 0.536 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.492 1.833 4.604 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.059 0.518 2.576 1.00 0.13 H new ATOM 653 N HIS A 43 -4.017 6.163 5.268 1.00 0.16 N ATOM 654 CA HIS A 43 -4.387 5.683 6.635 1.00 0.18 C ATOM 655 C HIS A 43 -5.834 6.061 6.994 1.00 0.16 C ATOM 656 O HIS A 43 -6.561 5.279 7.574 1.00 0.16 O ATOM 657 CB HIS A 43 -3.408 6.320 7.629 1.00 0.23 C ATOM 658 CG HIS A 43 -3.724 5.878 9.027 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.107 4.789 9.616 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.630 6.340 9.943 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.652 4.625 10.836 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.588 5.546 11.086 1.00 0.31 N ATOM 0 H HIS A 43 -3.318 6.906 5.258 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.326 4.595 6.671 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.386 6.039 7.374 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.466 7.406 7.562 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.279 7.191 9.801 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.368 3.845 11.527 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.150 5.646 11.931 1.00 0.31 H new ATOM 670 N SER A 44 -6.250 7.259 6.684 1.00 0.15 N ATOM 671 CA SER A 44 -7.646 7.686 7.027 1.00 0.15 C ATOM 672 C SER A 44 -8.675 6.820 6.294 1.00 0.13 C ATOM 673 O SER A 44 -9.709 6.475 6.829 1.00 0.15 O ATOM 674 CB SER A 44 -7.862 9.141 6.619 1.00 0.18 C ATOM 675 OG SER A 44 -6.985 9.975 7.364 1.00 0.22 O ATOM 0 H SER A 44 -5.687 7.964 6.208 1.00 0.15 H new ATOM 0 HA SER A 44 -7.776 7.572 8.103 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.678 9.262 5.552 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.897 9.431 6.799 1.00 0.18 H new ATOM 0 HG SER A 44 -6.172 10.143 6.843 1.00 0.22 H new ATOM 681 N LEU A 45 -8.410 6.497 5.057 1.00 0.12 N ATOM 682 CA LEU A 45 -9.383 5.686 4.266 1.00 0.14 C ATOM 683 C LEU A 45 -9.601 4.320 4.913 1.00 0.13 C ATOM 684 O LEU A 45 -10.613 3.682 4.693 1.00 0.15 O ATOM 685 CB LEU A 45 -8.864 5.481 2.840 1.00 0.16 C ATOM 686 CG LEU A 45 -8.932 6.795 2.033 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.994 6.702 0.826 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.359 7.041 1.525 1.00 0.22 C ATOM 0 H LEU A 45 -7.560 6.760 4.558 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.329 6.227 4.241 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.835 5.122 2.872 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.454 4.713 2.341 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.633 7.616 2.685 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -8.042 7.630 0.256 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.973 6.540 1.171 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.299 5.870 0.191 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.388 7.972 0.958 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.664 6.215 0.882 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -11.040 7.111 2.373 1.00 0.22 H new ATOM 700 N SER A 46 -8.666 3.851 5.686 1.00 0.12 N ATOM 701 CA SER A 46 -8.839 2.513 6.310 1.00 0.12 C ATOM 702 C SER A 46 -10.159 2.486 7.067 1.00 0.14 C ATOM 703 O SER A 46 -10.840 1.483 7.108 1.00 0.16 O ATOM 704 CB SER A 46 -7.690 2.238 7.278 1.00 0.13 C ATOM 705 OG SER A 46 -6.464 2.253 6.559 1.00 0.14 O ATOM 0 H SER A 46 -7.795 4.332 5.912 1.00 0.12 H new ATOM 0 HA SER A 46 -8.840 1.747 5.534 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.673 2.991 8.066 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.830 1.272 7.763 1.00 0.13 H new ATOM 0 HG SER A 46 -6.594 1.836 5.682 1.00 0.14 H new ATOM 711 N GLU A 47 -10.539 3.582 7.661 1.00 0.15 N ATOM 712 CA GLU A 47 -11.830 3.608 8.397 1.00 0.18 C ATOM 713 C GLU A 47 -12.946 3.995 7.420 1.00 0.18 C ATOM 714 O GLU A 47 -14.114 3.830 7.710 1.00 0.21 O ATOM 715 CB GLU A 47 -11.747 4.649 9.522 1.00 0.22 C ATOM 716 CG GLU A 47 -10.807 4.153 10.627 1.00 0.23 C ATOM 717 CD GLU A 47 -9.353 4.206 10.149 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.070 4.975 9.246 1.00 2.16 O ATOM 719 OE2 GLU A 47 -8.544 3.470 10.695 1.00 2.05 O ATOM 0 H GLU A 47 -10.014 4.456 7.668 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.039 2.628 8.826 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.386 5.598 9.125 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.740 4.832 9.933 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -10.927 4.768 11.519 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.069 3.132 10.906 1.00 0.23 H new ATOM 726 N LYS A 48 -12.603 4.479 6.247 1.00 0.17 N ATOM 727 CA LYS A 48 -13.663 4.833 5.257 1.00 0.19 C ATOM 728 C LYS A 48 -14.101 3.545 4.578 1.00 0.18 C ATOM 729 O LYS A 48 -15.266 3.334 4.306 1.00 0.21 O ATOM 730 CB LYS A 48 -13.125 5.805 4.206 1.00 0.20 C ATOM 731 CG LYS A 48 -14.273 6.236 3.286 1.00 0.30 C ATOM 732 CD LYS A 48 -13.733 7.130 2.172 1.00 0.82 C ATOM 733 CE LYS A 48 -14.890 7.591 1.285 1.00 1.03 C ATOM 734 NZ LYS A 48 -15.831 8.425 2.085 1.00 1.78 N ATOM 0 H LYS A 48 -11.644 4.641 5.938 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.497 5.317 5.765 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.684 6.676 4.690 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.335 5.330 3.624 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.758 5.358 2.858 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -15.030 6.771 3.860 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.221 7.993 2.599 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.999 6.586 1.578 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -14.508 8.164 0.440 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.413 6.727 0.874 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -16.398 9.018 1.446 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -16.461 7.807 2.635 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -15.291 9.033 2.733 1.00 1.78 H new ATOM 748 N TYR A 49 -13.161 2.668 4.333 1.00 0.16 N ATOM 749 CA TYR A 49 -13.482 1.350 3.707 1.00 0.17 C ATOM 750 C TYR A 49 -13.000 0.272 4.668 1.00 0.16 C ATOM 751 O TYR A 49 -12.067 -0.456 4.401 1.00 0.16 O ATOM 752 CB TYR A 49 -12.762 1.216 2.356 1.00 0.17 C ATOM 753 CG TYR A 49 -13.333 2.228 1.387 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.638 2.067 0.899 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.572 3.333 0.989 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.178 3.008 0.013 1.00 0.25 C ATOM 757 CE2 TYR A 49 -13.111 4.274 0.105 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.414 4.113 -0.384 1.00 0.21 C ATOM 759 OH TYR A 49 -14.945 5.042 -1.256 1.00 0.25 O ATOM 0 H TYR A 49 -12.173 2.811 4.543 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.552 1.257 3.524 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.692 1.379 2.483 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.886 0.207 1.962 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.228 1.216 1.207 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.567 3.460 1.365 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.182 2.882 -0.364 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.522 5.126 -0.201 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.222 5.582 -1.638 1.00 0.25 H new ATOM 769 N SER A 50 -13.649 0.175 5.797 1.00 0.17 N ATOM 770 CA SER A 50 -13.256 -0.834 6.805 1.00 0.18 C ATOM 771 C SER A 50 -13.476 -2.221 6.212 1.00 0.19 C ATOM 772 O SER A 50 -13.049 -3.219 6.760 1.00 0.21 O ATOM 773 CB SER A 50 -14.098 -0.642 8.066 1.00 0.20 C ATOM 774 OG SER A 50 -15.442 -1.029 7.805 1.00 0.22 O ATOM 0 H SER A 50 -14.442 0.760 6.061 1.00 0.17 H new ATOM 0 HA SER A 50 -12.205 -0.722 7.073 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.689 -1.237 8.883 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.064 0.400 8.383 1.00 0.20 H new ATOM 0 HG SER A 50 -15.981 -0.907 8.615 1.00 0.22 H new ATOM 780 N ASN A 51 -14.123 -2.289 5.075 1.00 0.20 N ATOM 781 CA ASN A 51 -14.353 -3.607 4.421 1.00 0.23 C ATOM 782 C ASN A 51 -13.183 -3.887 3.482 1.00 0.19 C ATOM 783 O ASN A 51 -13.180 -4.848 2.738 1.00 0.22 O ATOM 784 CB ASN A 51 -15.652 -3.566 3.612 1.00 0.32 C ATOM 785 CG ASN A 51 -16.019 -4.985 3.170 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.292 -5.837 3.993 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.038 -5.275 1.897 1.00 0.27 N ATOM 0 H ASN A 51 -14.501 -1.485 4.573 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.431 -4.388 5.177 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.455 -3.141 4.214 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.531 -2.922 2.741 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.282 -6.217 1.592 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.809 -4.559 1.207 1.00 0.27 H new ATOM 794 N VAL A 52 -12.174 -3.054 3.540 1.00 0.21 N ATOM 795 CA VAL A 52 -10.962 -3.237 2.691 1.00 0.17 C ATOM 796 C VAL A 52 -9.749 -3.215 3.616 1.00 0.13 C ATOM 797 O VAL A 52 -9.731 -2.496 4.594 1.00 0.14 O ATOM 798 CB VAL A 52 -10.863 -2.099 1.668 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.475 -2.114 1.001 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.954 -2.284 0.601 1.00 0.24 C ATOM 0 H VAL A 52 -12.141 -2.239 4.153 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.012 -4.180 2.146 1.00 0.17 H new ATOM 0 HB VAL A 52 -11.002 -1.143 2.172 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.411 -1.303 0.275 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.705 -1.982 1.761 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.325 -3.067 0.494 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.889 -1.478 -0.130 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.813 -3.241 0.099 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.935 -2.265 1.076 1.00 0.24 H new ATOM 810 N ILE A 53 -8.747 -4.011 3.344 1.00 0.11 N ATOM 811 CA ILE A 53 -7.556 -4.036 4.253 1.00 0.09 C ATOM 812 C ILE A 53 -6.434 -3.183 3.650 1.00 0.09 C ATOM 813 O ILE A 53 -6.009 -3.413 2.536 1.00 0.12 O ATOM 814 CB ILE A 53 -7.056 -5.481 4.381 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.234 -6.410 4.718 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.001 -5.572 5.501 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.021 -5.864 5.913 1.00 0.15 C ATOM 0 H ILE A 53 -8.699 -4.639 2.542 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.836 -3.643 5.230 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.609 -5.787 3.435 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.891 -6.502 3.853 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.863 -7.410 4.945 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.650 -6.600 5.587 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.160 -4.920 5.263 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.446 -5.260 6.446 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.851 -6.533 6.138 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.364 -5.795 6.780 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.408 -4.874 5.672 1.00 0.15 H new ATOM 829 N PHE A 54 -5.941 -2.209 4.382 1.00 0.08 N ATOM 830 CA PHE A 54 -4.826 -1.349 3.852 1.00 0.09 C ATOM 831 C PHE A 54 -3.506 -1.756 4.516 1.00 0.09 C ATOM 832 O PHE A 54 -3.399 -1.784 5.726 1.00 0.12 O ATOM 833 CB PHE A 54 -5.081 0.123 4.198 1.00 0.10 C ATOM 834 CG PHE A 54 -6.279 0.650 3.443 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.569 0.262 3.818 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.099 1.540 2.374 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.679 0.761 3.128 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.210 2.037 1.682 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.499 1.648 2.059 1.00 0.10 C ATOM 0 H PHE A 54 -6.260 -1.971 5.321 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.777 -1.480 2.771 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.247 0.226 5.270 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.201 0.717 3.953 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.709 -0.423 4.641 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.103 1.842 2.085 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.675 0.462 3.420 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.071 2.721 0.857 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.356 2.032 1.526 1.00 0.10 H new ATOM 849 N LEU A 55 -2.487 -2.038 3.733 1.00 0.09 N ATOM 850 CA LEU A 55 -1.152 -2.406 4.313 1.00 0.11 C ATOM 851 C LEU A 55 -0.162 -1.283 4.043 1.00 0.10 C ATOM 852 O LEU A 55 -0.116 -0.719 2.967 1.00 0.10 O ATOM 853 CB LEU A 55 -0.581 -3.703 3.696 1.00 0.12 C ATOM 854 CG LEU A 55 -1.350 -4.955 4.159 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.862 -4.787 3.982 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.868 -6.161 3.346 1.00 0.22 C ATOM 0 H LEU A 55 -2.523 -2.029 2.714 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.297 -2.566 5.381 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.622 -3.635 2.609 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.469 -3.802 3.970 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.155 -5.107 5.221 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.370 -5.690 4.319 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.205 -3.936 4.571 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.088 -4.615 2.930 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.406 -7.054 3.665 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.055 -5.984 2.287 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.201 -6.304 3.507 1.00 0.22 H new ATOM 868 N GLU A 56 0.660 -0.990 5.009 1.00 0.12 N ATOM 869 CA GLU A 56 1.700 0.065 4.843 1.00 0.13 C ATOM 870 C GLU A 56 3.047 -0.642 4.797 1.00 0.13 C ATOM 871 O GLU A 56 3.329 -1.491 5.617 1.00 0.14 O ATOM 872 CB GLU A 56 1.653 1.028 6.029 1.00 0.15 C ATOM 873 CG GLU A 56 2.578 2.215 5.756 1.00 0.17 C ATOM 874 CD GLU A 56 2.722 3.049 7.030 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.490 2.651 7.891 1.00 1.05 O ATOM 876 OE2 GLU A 56 2.066 4.074 7.123 1.00 1.13 O ATOM 0 H GLU A 56 0.656 -1.444 5.923 1.00 0.12 H new ATOM 0 HA GLU A 56 1.534 0.641 3.933 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.633 1.377 6.188 1.00 0.15 H new ATOM 0 HB3 GLU A 56 1.960 0.515 6.940 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.555 1.861 5.427 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.174 2.828 4.950 1.00 0.17 H new ATOM 883 N VAL A 57 3.866 -0.338 3.822 1.00 0.12 N ATOM 884 CA VAL A 57 5.186 -1.038 3.699 1.00 0.12 C ATOM 885 C VAL A 57 6.330 -0.023 3.578 1.00 0.11 C ATOM 886 O VAL A 57 6.261 0.925 2.820 1.00 0.13 O ATOM 887 CB VAL A 57 5.144 -1.908 2.449 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.433 -2.720 2.337 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.942 -2.848 2.542 1.00 0.14 C ATOM 0 H VAL A 57 3.680 0.364 3.105 1.00 0.12 H new ATOM 0 HA VAL A 57 5.363 -1.644 4.588 1.00 0.12 H new ATOM 0 HB VAL A 57 5.051 -1.278 1.564 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.396 -3.340 1.441 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.285 -2.043 2.275 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.539 -3.357 3.215 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.902 -3.476 1.652 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.040 -3.478 3.426 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.026 -2.261 2.614 1.00 0.14 H new ATOM 899 N ASP A 58 7.385 -0.234 4.319 1.00 0.10 N ATOM 900 CA ASP A 58 8.564 0.685 4.272 1.00 0.09 C ATOM 901 C ASP A 58 9.603 0.113 3.308 1.00 0.09 C ATOM 902 O ASP A 58 10.118 -0.965 3.521 1.00 0.09 O ATOM 903 CB ASP A 58 9.176 0.745 5.666 1.00 0.10 C ATOM 904 CG ASP A 58 10.232 1.851 5.726 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.508 2.440 4.693 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.752 2.088 6.805 1.00 1.02 O ATOM 0 H ASP A 58 7.483 -1.017 4.966 1.00 0.10 H new ATOM 0 HA ASP A 58 8.257 1.678 3.942 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.398 0.933 6.406 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.628 -0.215 5.915 1.00 0.10 H new ATOM 911 N VAL A 59 9.946 0.814 2.267 1.00 0.09 N ATOM 912 CA VAL A 59 10.971 0.260 1.341 1.00 0.10 C ATOM 913 C VAL A 59 12.312 0.235 2.067 1.00 0.11 C ATOM 914 O VAL A 59 13.250 -0.407 1.638 1.00 0.12 O ATOM 915 CB VAL A 59 11.096 1.136 0.096 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.772 1.131 -0.663 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.453 2.570 0.499 1.00 0.16 C ATOM 0 H VAL A 59 9.570 1.729 2.019 1.00 0.09 H new ATOM 0 HA VAL A 59 10.677 -0.744 1.035 1.00 0.10 H new ATOM 0 HB VAL A 59 11.885 0.740 -0.544 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.860 1.756 -1.552 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.526 0.111 -0.959 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.983 1.522 -0.021 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.540 3.188 -0.395 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.671 2.972 1.143 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.402 2.572 1.035 1.00 0.16 H new ATOM 927 N ASP A 60 12.422 0.959 3.152 1.00 0.10 N ATOM 928 CA ASP A 60 13.717 0.997 3.893 1.00 0.12 C ATOM 929 C ASP A 60 13.744 -0.045 5.021 1.00 0.13 C ATOM 930 O ASP A 60 14.740 -0.709 5.222 1.00 0.15 O ATOM 931 CB ASP A 60 13.889 2.400 4.469 1.00 0.14 C ATOM 932 CG ASP A 60 14.393 3.338 3.368 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.574 3.797 2.591 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.589 3.579 3.322 1.00 1.07 O ATOM 0 H ASP A 60 11.674 1.523 3.555 1.00 0.10 H new ATOM 0 HA ASP A 60 14.534 0.759 3.212 1.00 0.12 H new ATOM 0 HB2 ASP A 60 12.941 2.762 4.866 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.595 2.381 5.299 1.00 0.14 H new ATOM 939 N ASP A 61 12.669 -0.209 5.751 1.00 0.13 N ATOM 940 CA ASP A 61 12.664 -1.224 6.859 1.00 0.15 C ATOM 941 C ASP A 61 12.054 -2.522 6.333 1.00 0.14 C ATOM 942 O ASP A 61 12.285 -3.592 6.860 1.00 0.19 O ATOM 943 CB ASP A 61 11.839 -0.706 8.041 1.00 0.16 C ATOM 944 CG ASP A 61 12.461 0.589 8.567 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.442 1.028 7.991 1.00 1.07 O ATOM 946 OD2 ASP A 61 11.942 1.121 9.534 1.00 1.01 O ATOM 0 H ASP A 61 11.799 0.310 5.632 1.00 0.13 H new ATOM 0 HA ASP A 61 13.685 -1.403 7.197 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.810 -0.528 7.730 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.807 -1.455 8.832 1.00 0.16 H new ATOM 951 N ALA A 62 11.276 -2.422 5.286 1.00 0.11 N ATOM 952 CA ALA A 62 10.631 -3.624 4.676 1.00 0.12 C ATOM 953 C ALA A 62 11.141 -3.752 3.239 1.00 0.11 C ATOM 954 O ALA A 62 10.405 -4.057 2.323 1.00 0.12 O ATOM 955 CB ALA A 62 9.106 -3.447 4.685 1.00 0.14 C ATOM 0 H ALA A 62 11.057 -1.542 4.820 1.00 0.11 H new ATOM 0 HA ALA A 62 10.877 -4.523 5.241 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.635 -4.324 4.240 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.759 -3.331 5.712 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.839 -2.561 4.109 1.00 0.14 H new ATOM 961 N GLN A 63 12.404 -3.494 3.048 1.00 0.11 N ATOM 962 CA GLN A 63 12.996 -3.555 1.685 1.00 0.12 C ATOM 963 C GLN A 63 12.838 -4.962 1.107 1.00 0.12 C ATOM 964 O GLN A 63 12.866 -5.151 -0.090 1.00 0.14 O ATOM 965 CB GLN A 63 14.486 -3.197 1.769 1.00 0.13 C ATOM 966 CG GLN A 63 15.234 -4.282 2.553 1.00 0.15 C ATOM 967 CD GLN A 63 16.655 -3.807 2.878 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.192 -2.948 2.208 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.292 -4.339 3.889 1.00 1.43 N ATOM 0 H GLN A 63 13.059 -3.240 3.788 1.00 0.11 H new ATOM 0 HA GLN A 63 12.481 -2.847 1.035 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.905 -3.105 0.767 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.611 -2.230 2.257 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.699 -4.511 3.474 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.273 -5.202 1.970 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.842 -5.060 4.453 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.238 -4.032 4.114 1.00 1.43 H new ATOM 978 N ASP A 64 12.664 -5.954 1.933 1.00 0.13 N ATOM 979 CA ASP A 64 12.501 -7.327 1.392 1.00 0.13 C ATOM 980 C ASP A 64 11.202 -7.400 0.589 1.00 0.15 C ATOM 981 O ASP A 64 11.124 -8.069 -0.421 1.00 0.16 O ATOM 982 CB ASP A 64 12.462 -8.340 2.539 1.00 0.17 C ATOM 983 CG ASP A 64 11.454 -7.893 3.596 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.301 -7.731 3.248 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.853 -7.736 4.737 1.00 1.02 O ATOM 0 H ASP A 64 12.628 -5.874 2.949 1.00 0.13 H new ATOM 0 HA ASP A 64 13.344 -7.564 0.744 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.189 -9.324 2.157 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.452 -8.435 2.985 1.00 0.17 H new ATOM 990 N VAL A 65 10.177 -6.717 1.026 1.00 0.17 N ATOM 991 CA VAL A 65 8.891 -6.756 0.279 1.00 0.22 C ATOM 992 C VAL A 65 9.022 -5.933 -0.998 1.00 0.22 C ATOM 993 O VAL A 65 8.576 -6.321 -2.058 1.00 0.26 O ATOM 994 CB VAL A 65 7.781 -6.133 1.133 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.424 -6.440 0.497 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.837 -6.697 2.556 1.00 0.32 C ATOM 0 H VAL A 65 10.177 -6.137 1.865 1.00 0.17 H new ATOM 0 HA VAL A 65 8.650 -7.792 0.043 1.00 0.22 H new ATOM 0 HB VAL A 65 7.921 -5.053 1.182 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.631 -5.999 1.101 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.390 -6.021 -0.509 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.282 -7.520 0.445 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.045 -6.249 3.156 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.701 -7.778 2.525 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.805 -6.466 3.001 1.00 0.32 H new ATOM 1006 N ALA A 66 9.613 -4.780 -0.890 1.00 0.19 N ATOM 1007 CA ALA A 66 9.758 -3.903 -2.077 1.00 0.22 C ATOM 1008 C ALA A 66 10.762 -4.501 -3.065 1.00 0.23 C ATOM 1009 O ALA A 66 10.568 -4.448 -4.262 1.00 0.26 O ATOM 1010 CB ALA A 66 10.219 -2.518 -1.624 1.00 0.25 C ATOM 0 H ALA A 66 10.004 -4.406 -0.025 1.00 0.19 H new ATOM 0 HA ALA A 66 8.796 -3.818 -2.582 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.327 -1.868 -2.493 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.481 -2.093 -0.943 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.178 -2.603 -1.113 1.00 0.25 H new ATOM 1016 N SER A 67 11.837 -5.063 -2.582 1.00 0.21 N ATOM 1017 CA SER A 67 12.840 -5.651 -3.517 1.00 0.23 C ATOM 1018 C SER A 67 12.177 -6.762 -4.328 1.00 0.23 C ATOM 1019 O SER A 67 12.492 -6.977 -5.481 1.00 0.24 O ATOM 1020 CB SER A 67 14.010 -6.234 -2.724 1.00 0.23 C ATOM 1021 OG SER A 67 13.544 -7.310 -1.922 1.00 0.22 O ATOM 0 H SER A 67 12.063 -5.140 -1.590 1.00 0.21 H new ATOM 0 HA SER A 67 13.211 -4.874 -4.185 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.787 -6.582 -3.404 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.458 -5.464 -2.095 1.00 0.23 H new ATOM 0 HG SER A 67 12.611 -7.150 -1.670 1.00 0.22 H new ATOM 1027 N GLU A 68 11.251 -7.462 -3.735 1.00 0.23 N ATOM 1028 CA GLU A 68 10.555 -8.554 -4.468 1.00 0.25 C ATOM 1029 C GLU A 68 9.807 -7.967 -5.665 1.00 0.22 C ATOM 1030 O GLU A 68 9.747 -8.557 -6.725 1.00 0.24 O ATOM 1031 CB GLU A 68 9.550 -9.242 -3.534 1.00 0.29 C ATOM 1032 CG GLU A 68 8.925 -10.450 -4.244 1.00 0.32 C ATOM 1033 CD GLU A 68 7.753 -10.988 -3.424 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.440 -10.391 -2.407 1.00 1.96 O ATOM 1035 OE2 GLU A 68 7.182 -11.987 -3.832 1.00 2.06 O ATOM 0 H GLU A 68 10.946 -7.324 -2.772 1.00 0.23 H new ATOM 0 HA GLU A 68 11.290 -9.281 -4.814 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.050 -9.564 -2.620 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.771 -8.538 -3.240 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.582 -10.161 -5.238 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.674 -11.230 -4.379 1.00 0.32 H new ATOM 1042 N ALA A 69 9.200 -6.825 -5.489 1.00 0.20 N ATOM 1043 CA ALA A 69 8.418 -6.208 -6.600 1.00 0.20 C ATOM 1044 C ALA A 69 9.305 -5.314 -7.470 1.00 0.19 C ATOM 1045 O ALA A 69 8.835 -4.692 -8.401 1.00 0.20 O ATOM 1046 CB ALA A 69 7.288 -5.372 -6.004 1.00 0.23 C ATOM 0 H ALA A 69 9.212 -6.290 -4.621 1.00 0.20 H new ATOM 0 HA ALA A 69 8.016 -7.003 -7.227 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.710 -4.916 -6.808 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.638 -6.012 -5.407 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.708 -4.590 -5.371 1.00 0.23 H new ATOM 1052 N GLU A 70 10.573 -5.227 -7.168 1.00 0.18 N ATOM 1053 CA GLU A 70 11.469 -4.354 -7.981 1.00 0.18 C ATOM 1054 C GLU A 70 10.896 -2.945 -8.010 1.00 0.17 C ATOM 1055 O GLU A 70 10.765 -2.348 -9.061 1.00 0.18 O ATOM 1056 CB GLU A 70 11.585 -4.862 -9.423 1.00 0.22 C ATOM 1057 CG GLU A 70 12.154 -6.275 -9.441 1.00 0.24 C ATOM 1058 CD GLU A 70 13.581 -6.268 -8.889 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.180 -5.207 -8.857 1.00 2.02 O ATOM 1060 OE2 GLU A 70 14.049 -7.327 -8.506 1.00 2.02 O ATOM 0 H GLU A 70 11.025 -5.720 -6.398 1.00 0.18 H new ATOM 0 HA GLU A 70 12.459 -4.365 -7.526 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.605 -4.851 -9.900 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.227 -4.197 -10.000 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.527 -6.937 -8.844 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.150 -6.665 -10.459 1.00 0.24 H new ATOM 1067 N VAL A 71 10.550 -2.392 -6.880 1.00 0.15 N ATOM 1068 CA VAL A 71 9.981 -1.023 -6.908 1.00 0.14 C ATOM 1069 C VAL A 71 11.064 -0.090 -7.434 1.00 0.14 C ATOM 1070 O VAL A 71 12.196 -0.130 -6.992 1.00 0.16 O ATOM 1071 CB VAL A 71 9.575 -0.577 -5.501 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.894 0.788 -5.598 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.599 -1.595 -4.885 1.00 0.15 C ATOM 0 H VAL A 71 10.635 -2.821 -5.958 1.00 0.15 H new ATOM 0 HA VAL A 71 9.094 -1.002 -7.542 1.00 0.14 H new ATOM 0 HB VAL A 71 10.460 -0.512 -4.868 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.599 1.119 -4.602 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.587 1.510 -6.030 1.00 0.14 H new ATOM 0 HG13 VAL A 71 8.010 0.709 -6.231 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.316 -1.268 -3.884 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.708 -1.668 -5.508 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.081 -2.571 -4.826 1.00 0.15 H new ATOM 1083 N LYS A 72 10.733 0.729 -8.396 1.00 0.15 N ATOM 1084 CA LYS A 72 11.745 1.651 -8.979 1.00 0.16 C ATOM 1085 C LYS A 72 11.537 3.068 -8.436 1.00 0.15 C ATOM 1086 O LYS A 72 12.375 3.932 -8.608 1.00 0.16 O ATOM 1087 CB LYS A 72 11.593 1.652 -10.505 1.00 0.19 C ATOM 1088 CG LYS A 72 11.806 0.231 -11.067 1.00 0.23 C ATOM 1089 CD LYS A 72 13.306 -0.087 -11.160 1.00 0.74 C ATOM 1090 CE LYS A 72 13.495 -1.431 -11.867 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.949 -1.747 -11.949 1.00 1.60 N ATOM 0 H LYS A 72 9.801 0.798 -8.804 1.00 0.15 H new ATOM 0 HA LYS A 72 12.746 1.316 -8.707 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.601 2.013 -10.778 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.315 2.338 -10.948 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.312 -0.499 -10.426 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.349 0.150 -12.053 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.823 0.701 -11.708 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.744 -0.123 -10.163 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.971 -2.217 -11.324 1.00 0.88 H new ATOM 0 HE3 LYS A 72 13.063 -1.392 -12.867 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 15.079 -2.660 -12.429 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.437 -1.001 -12.485 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.347 -1.800 -10.990 1.00 1.60 H new ATOM 1105 N ALA A 73 10.430 3.326 -7.784 1.00 0.13 N ATOM 1106 CA ALA A 73 10.201 4.701 -7.249 1.00 0.13 C ATOM 1107 C ALA A 73 9.103 4.705 -6.175 1.00 0.11 C ATOM 1108 O ALA A 73 8.246 3.848 -6.147 1.00 0.12 O ATOM 1109 CB ALA A 73 9.805 5.623 -8.404 1.00 0.14 C ATOM 0 H ALA A 73 9.685 2.653 -7.602 1.00 0.13 H new ATOM 0 HA ALA A 73 11.121 5.055 -6.785 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.635 6.630 -8.024 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.606 5.644 -9.143 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.892 5.252 -8.869 1.00 0.14 H new ATOM 1115 N THR A 74 9.120 5.691 -5.301 1.00 0.11 N ATOM 1116 CA THR A 74 8.076 5.794 -4.230 1.00 0.11 C ATOM 1117 C THR A 74 7.416 7.181 -4.336 1.00 0.12 C ATOM 1118 O THR A 74 8.051 8.113 -4.779 1.00 0.15 O ATOM 1119 CB THR A 74 8.766 5.681 -2.854 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.527 6.851 -2.623 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.700 4.473 -2.829 1.00 0.14 C ATOM 0 H THR A 74 9.820 6.433 -5.287 1.00 0.11 H new ATOM 0 HA THR A 74 7.333 5.005 -4.343 1.00 0.11 H new ATOM 0 HB THR A 74 8.005 5.563 -2.083 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.967 6.788 -1.750 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.180 4.405 -1.853 1.00 0.14 H new ATOM 0 HG22 THR A 74 9.126 3.565 -3.015 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.461 4.586 -3.601 1.00 0.14 H new ATOM 1129 N PRO A 75 6.186 7.353 -3.887 1.00 0.13 N ATOM 1130 CA PRO A 75 5.350 6.250 -3.330 1.00 0.10 C ATOM 1131 C PRO A 75 4.757 5.356 -4.427 1.00 0.09 C ATOM 1132 O PRO A 75 4.387 5.821 -5.488 1.00 0.10 O ATOM 1133 CB PRO A 75 4.248 7.032 -2.592 1.00 0.12 C ATOM 1134 CG PRO A 75 4.218 8.457 -3.172 1.00 0.15 C ATOM 1135 CD PRO A 75 5.550 8.701 -3.906 1.00 0.16 C ATOM 0 HA PRO A 75 5.912 5.561 -2.699 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.281 6.546 -2.722 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.450 7.059 -1.521 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.379 8.572 -3.858 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.082 9.189 -2.376 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.392 9.060 -4.923 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.163 9.445 -3.397 1.00 0.16 H new ATOM 1143 N THR A 76 4.629 4.082 -4.155 1.00 0.09 N ATOM 1144 CA THR A 76 4.021 3.139 -5.150 1.00 0.09 C ATOM 1145 C THR A 76 2.915 2.350 -4.458 1.00 0.10 C ATOM 1146 O THR A 76 3.090 1.828 -3.374 1.00 0.12 O ATOM 1147 CB THR A 76 5.084 2.180 -5.701 1.00 0.10 C ATOM 1148 OG1 THR A 76 6.105 2.932 -6.334 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.447 1.224 -6.720 1.00 0.13 C ATOM 0 H THR A 76 4.922 3.649 -3.279 1.00 0.09 H new ATOM 0 HA THR A 76 3.610 3.705 -5.986 1.00 0.09 H new ATOM 0 HB THR A 76 5.507 1.598 -4.882 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.874 3.011 -5.732 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.207 0.546 -7.107 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.659 0.647 -6.235 1.00 0.13 H new ATOM 0 HG23 THR A 76 4.021 1.799 -7.542 1.00 0.13 H new ATOM 1157 N PHE A 77 1.766 2.286 -5.070 1.00 0.10 N ATOM 1158 CA PHE A 77 0.610 1.551 -4.467 1.00 0.10 C ATOM 1159 C PHE A 77 0.338 0.286 -5.271 1.00 0.10 C ATOM 1160 O PHE A 77 0.206 0.325 -6.479 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.632 2.442 -4.511 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.370 3.702 -3.730 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.649 3.751 -2.359 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.157 4.824 -4.379 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.400 4.924 -1.637 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.407 6.000 -3.658 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.130 6.049 -2.286 1.00 0.19 C ATOM 0 H PHE A 77 1.572 2.716 -5.974 1.00 0.10 H new ATOM 0 HA PHE A 77 0.845 1.289 -3.435 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.882 2.686 -5.544 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.488 1.913 -4.093 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.056 2.885 -1.859 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.371 4.784 -5.437 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.616 4.963 -0.580 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.812 6.866 -4.159 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.324 6.953 -1.728 1.00 0.19 H new ATOM 1177 N GLN A 78 0.223 -0.837 -4.608 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.064 -2.120 -5.322 1.00 0.09 C ATOM 1179 C GLN A 78 -1.358 -2.700 -4.794 1.00 0.08 C ATOM 1180 O GLN A 78 -1.647 -2.648 -3.614 1.00 0.09 O ATOM 1181 CB GLN A 78 1.066 -3.124 -5.100 1.00 0.09 C ATOM 1182 CG GLN A 78 2.297 -2.696 -5.900 1.00 0.12 C ATOM 1183 CD GLN A 78 3.365 -3.787 -5.816 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.055 -4.942 -5.607 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.618 -3.467 -5.968 1.00 0.29 N ATOM 0 H GLN A 78 0.316 -0.921 -3.596 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.148 -1.919 -6.390 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.311 -3.182 -4.040 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.747 -4.120 -5.409 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.024 -2.519 -6.940 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.689 -1.757 -5.509 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.879 -2.497 -6.144 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.339 -4.187 -5.911 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.144 -3.243 -5.673 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.450 -3.831 -5.262 1.00 0.07 C ATOM 1196 C PHE A 79 -3.385 -5.343 -5.333 1.00 0.07 C ATOM 1197 O PHE A 79 -2.951 -5.906 -6.315 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.527 -3.317 -6.205 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.663 -1.838 -5.980 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.757 -0.956 -6.579 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.676 -1.348 -5.153 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.869 0.418 -6.351 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.787 0.024 -4.922 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.884 0.908 -5.521 1.00 0.12 C ATOM 0 H PHE A 79 -1.939 -3.307 -6.670 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.680 -3.542 -4.236 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.258 -3.523 -7.241 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.474 -3.822 -6.015 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.973 -1.336 -7.216 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.374 -2.031 -4.692 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.173 1.101 -6.815 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.570 0.403 -4.281 1.00 0.14 H new ATOM 0 HZ PHE A 79 -4.970 1.970 -5.343 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.830 -5.999 -4.292 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.822 -7.490 -4.266 1.00 0.08 C ATOM 1216 C PHE A 80 -5.227 -7.999 -3.976 1.00 0.09 C ATOM 1217 O PHE A 80 -5.983 -7.393 -3.242 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.852 -7.992 -3.190 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.423 -7.733 -3.619 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.786 -6.524 -3.292 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.725 -8.719 -4.330 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.542 -6.310 -3.680 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.604 -8.501 -4.713 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.237 -7.296 -4.387 1.00 0.15 C ATOM 0 H PHE A 80 -4.202 -5.559 -3.451 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.494 -7.865 -5.236 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -3.053 -7.489 -2.244 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.002 -9.058 -3.022 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.319 -5.762 -2.743 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.213 -9.649 -4.583 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.032 -5.380 -3.432 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.140 -9.262 -5.260 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.262 -7.128 -4.682 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.581 -9.115 -4.551 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.932 -9.687 -4.325 1.00 0.12 C ATOM 1236 C LYS A 81 -6.792 -11.212 -4.352 1.00 0.11 C ATOM 1237 O LYS A 81 -6.226 -11.776 -5.267 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.858 -9.210 -5.458 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.333 -9.455 -5.103 1.00 0.26 C ATOM 1240 CD LYS A 81 -9.818 -8.425 -4.074 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.345 -8.438 -4.015 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.807 -7.464 -2.985 1.00 1.68 N ATOM 0 H LYS A 81 -4.983 -9.658 -5.174 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.353 -9.371 -3.371 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.696 -8.148 -5.642 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.610 -9.735 -6.381 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.945 -9.394 -6.003 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.454 -10.462 -4.703 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.404 -8.655 -3.092 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -9.463 -7.431 -4.345 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.760 -8.179 -4.989 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.702 -9.439 -3.772 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -12.790 -7.190 -3.183 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.753 -7.903 -2.044 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -11.200 -6.620 -3.009 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.273 -11.877 -3.341 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.142 -13.368 -3.288 1.00 0.13 C ATOM 1258 C LYS A 82 -5.668 -13.773 -3.433 1.00 0.13 C ATOM 1259 O LYS A 82 -5.354 -14.813 -3.979 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.956 -14.031 -4.407 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.437 -13.675 -4.266 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.283 -14.669 -5.065 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.724 -14.163 -5.145 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.586 -15.210 -5.763 1.00 1.22 N ATOM 0 H LYS A 82 -7.753 -11.456 -2.545 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.525 -13.704 -2.325 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.587 -13.703 -5.379 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.829 -15.113 -4.367 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.728 -13.696 -3.216 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.613 -12.661 -4.625 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.872 -14.789 -6.067 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.256 -15.650 -4.590 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.090 -13.918 -4.148 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.767 -13.247 -5.735 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.566 -14.866 -5.817 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.241 -15.423 -6.720 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.554 -16.073 -5.183 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.763 -12.979 -2.934 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.320 -13.341 -3.028 1.00 0.16 C ATOM 1280 C GLY A 83 -2.788 -13.104 -4.444 1.00 0.16 C ATOM 1281 O GLY A 83 -1.788 -13.677 -4.835 1.00 0.23 O ATOM 0 H GLY A 83 -4.959 -12.095 -2.465 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.745 -12.749 -2.316 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.185 -14.388 -2.755 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.440 -12.267 -5.219 1.00 0.12 N ATOM 1286 CA GLN A 84 -2.962 -11.993 -6.614 1.00 0.15 C ATOM 1287 C GLN A 84 -2.907 -10.480 -6.856 1.00 0.12 C ATOM 1288 O GLN A 84 -3.772 -9.757 -6.427 1.00 0.13 O ATOM 1289 CB GLN A 84 -3.932 -12.624 -7.613 1.00 0.20 C ATOM 1290 CG GLN A 84 -3.912 -14.145 -7.460 1.00 0.33 C ATOM 1291 CD GLN A 84 -4.757 -14.775 -8.568 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -4.412 -15.813 -9.098 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -5.859 -14.182 -8.943 1.00 2.07 N ATOM 0 H GLN A 84 -4.283 -11.762 -4.945 1.00 0.12 H new ATOM 0 HA GLN A 84 -1.966 -12.418 -6.743 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -4.940 -12.245 -7.445 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.653 -12.347 -8.630 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.888 -14.514 -7.513 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.303 -14.429 -6.483 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -6.147 -13.311 -8.497 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -6.432 -14.590 -9.682 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.913 -9.998 -7.560 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.825 -8.524 -7.823 1.00 0.12 C ATOM 1304 C LYS A 85 -2.809 -8.143 -8.931 1.00 0.14 C ATOM 1305 O LYS A 85 -2.814 -8.729 -9.996 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.396 -8.173 -8.248 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.233 -6.653 -8.340 1.00 0.20 C ATOM 1308 CD LYS A 85 1.146 -6.326 -8.924 1.00 0.28 C ATOM 1309 CE LYS A 85 2.253 -6.795 -7.967 1.00 1.28 C ATOM 1310 NZ LYS A 85 3.506 -6.031 -8.235 1.00 1.82 N ATOM 0 H LYS A 85 -1.161 -10.557 -7.963 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.078 -7.971 -6.918 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.316 -8.580 -7.530 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.172 -8.630 -9.212 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -1.017 -6.229 -8.968 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.338 -6.204 -7.352 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.263 -6.812 -9.893 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.232 -5.253 -9.093 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.940 -6.648 -6.933 1.00 1.28 H new ATOM 0 HE3 LYS A 85 2.432 -7.862 -8.097 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.970 -5.798 -7.334 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 4.147 -6.609 -8.815 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.276 -5.153 -8.743 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.656 -7.168 -8.672 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.666 -6.730 -9.688 1.00 0.18 C ATOM 1326 C VAL A 86 -4.492 -5.241 -9.998 1.00 0.17 C ATOM 1327 O VAL A 86 -5.339 -4.638 -10.627 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.082 -6.966 -9.144 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.388 -8.470 -9.110 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.186 -6.397 -7.726 1.00 0.26 C ATOM 0 H VAL A 86 -3.688 -6.655 -7.791 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.518 -7.308 -10.600 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.800 -6.468 -9.795 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.395 -8.628 -8.723 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.319 -8.878 -10.118 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.668 -8.973 -8.465 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.191 -6.564 -7.340 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.462 -6.894 -7.081 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -5.979 -5.327 -7.747 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.414 -4.632 -9.575 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.242 -3.182 -9.885 1.00 0.17 C ATOM 1342 C GLY A 87 -1.921 -2.648 -9.327 1.00 0.12 C ATOM 1343 O GLY A 87 -1.394 -3.137 -8.348 1.00 0.17 O ATOM 0 H GLY A 87 -2.661 -5.064 -9.040 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.270 -3.033 -10.964 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.073 -2.616 -9.463 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.389 -1.638 -9.964 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.104 -1.030 -9.515 1.00 0.13 C ATOM 1349 C GLU A 88 0.057 0.347 -10.153 1.00 0.11 C ATOM 1350 O GLU A 88 -0.191 0.529 -11.330 1.00 0.14 O ATOM 1351 CB GLU A 88 1.057 -1.973 -9.905 1.00 0.21 C ATOM 1352 CG GLU A 88 2.422 -1.253 -9.937 1.00 0.58 C ATOM 1353 CD GLU A 88 2.792 -0.717 -8.554 1.00 1.13 C ATOM 1354 OE1 GLU A 88 1.974 -0.041 -7.960 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.893 -0.997 -8.112 1.00 1.93 O ATOM 0 H GLU A 88 -1.799 -1.202 -10.790 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.098 -0.901 -8.433 1.00 0.13 H new ATOM 0 HB2 GLU A 88 1.103 -2.799 -9.196 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.855 -2.405 -10.885 1.00 0.21 H new ATOM 0 HG2 GLU A 88 3.193 -1.942 -10.282 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.387 -0.431 -10.652 1.00 0.58 H new ATOM 1362 N PHE A 89 0.502 1.310 -9.394 1.00 0.10 N ATOM 1363 CA PHE A 89 0.717 2.668 -9.976 1.00 0.09 C ATOM 1364 C PHE A 89 1.609 3.501 -9.047 1.00 0.10 C ATOM 1365 O PHE A 89 1.749 3.215 -7.875 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.638 3.361 -10.228 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.223 3.947 -8.954 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.699 5.131 -8.418 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.309 3.320 -8.329 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.263 5.689 -7.260 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.869 3.874 -7.168 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.348 5.060 -6.634 1.00 0.14 C ATOM 0 H PHE A 89 0.725 1.219 -8.403 1.00 0.10 H new ATOM 0 HA PHE A 89 1.225 2.573 -10.936 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.508 4.153 -10.965 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.339 2.642 -10.652 1.00 0.11 H new ATOM 0 HD1 PHE A 89 0.140 5.615 -8.896 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.716 2.409 -8.742 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -0.861 6.604 -6.851 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.703 3.386 -6.685 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.781 5.488 -5.742 1.00 0.14 H new ATOM 1382 N SER A 90 2.231 4.521 -9.588 1.00 0.10 N ATOM 1383 CA SER A 90 3.151 5.391 -8.784 1.00 0.10 C ATOM 1384 C SER A 90 2.729 6.846 -8.915 1.00 0.09 C ATOM 1385 O SER A 90 2.015 7.217 -9.825 1.00 0.11 O ATOM 1386 CB SER A 90 4.585 5.267 -9.306 1.00 0.11 C ATOM 1387 OG SER A 90 4.626 5.669 -10.671 1.00 0.12 O ATOM 0 H SER A 90 2.140 4.792 -10.567 1.00 0.10 H new ATOM 0 HA SER A 90 3.102 5.071 -7.743 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.255 5.888 -8.712 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.932 4.239 -9.207 1.00 0.11 H new ATOM 0 HG SER A 90 5.543 5.592 -11.007 1.00 0.12 H new ATOM 1393 N GLY A 91 3.178 7.672 -8.010 1.00 0.09 N ATOM 1394 CA GLY A 91 2.831 9.126 -8.060 1.00 0.09 C ATOM 1395 C GLY A 91 2.172 9.541 -6.749 1.00 0.10 C ATOM 1396 O GLY A 91 1.397 8.804 -6.171 1.00 0.12 O ATOM 0 H GLY A 91 3.776 7.401 -7.230 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.730 9.719 -8.230 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.158 9.321 -8.895 1.00 0.09 H new ATOM 1400 N ALA A 92 2.470 10.716 -6.269 1.00 0.11 N ATOM 1401 CA ALA A 92 1.857 11.170 -4.993 1.00 0.14 C ATOM 1402 C ALA A 92 0.431 11.672 -5.255 1.00 0.13 C ATOM 1403 O ALA A 92 0.142 12.843 -5.107 1.00 0.17 O ATOM 1404 CB ALA A 92 2.710 12.307 -4.420 1.00 0.18 C ATOM 0 H ALA A 92 3.110 11.379 -6.705 1.00 0.11 H new ATOM 0 HA ALA A 92 1.814 10.343 -4.284 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.274 12.652 -3.483 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.722 11.946 -4.238 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.741 13.132 -5.131 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.466 10.783 -5.627 1.00 0.12 N ATOM 1411 CA ASN A 93 -1.889 11.183 -5.885 1.00 0.14 C ATOM 1412 C ASN A 93 -2.800 10.404 -4.927 1.00 0.13 C ATOM 1413 O ASN A 93 -3.117 9.253 -5.153 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.246 10.855 -7.338 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.600 11.477 -7.687 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.104 11.290 -8.776 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.223 12.198 -6.797 1.00 0.75 N ATOM 0 H ASN A 93 -0.270 9.791 -5.763 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.021 12.252 -5.720 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.475 11.237 -8.008 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.284 9.775 -7.479 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.133 12.604 -7.016 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.801 12.356 -5.882 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.208 11.018 -3.849 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.082 10.315 -2.855 1.00 0.15 C ATOM 1426 C LYS A 94 -5.489 10.064 -3.421 1.00 0.15 C ATOM 1427 O LYS A 94 -6.104 9.052 -3.143 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.170 11.183 -1.592 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.545 12.645 -1.964 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.317 13.566 -1.861 1.00 0.24 C ATOM 1431 CE LYS A 94 -3.053 13.945 -0.399 1.00 0.59 C ATOM 1432 NZ LYS A 94 -1.805 14.757 -0.318 1.00 1.06 N ATOM 0 H LYS A 94 -2.974 11.982 -3.610 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.647 9.343 -2.622 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -4.916 10.772 -0.912 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.216 11.168 -1.066 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -4.945 12.676 -2.978 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.331 13.004 -1.300 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -2.443 13.065 -2.277 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -3.480 14.467 -2.453 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -3.895 14.511 -0.000 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -2.956 13.046 0.210 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -1.623 15.016 0.673 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -1.005 14.202 -0.683 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -1.915 15.621 -0.887 1.00 1.06 H new ATOM 1446 N GLU A 95 -5.998 10.961 -4.217 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.354 10.766 -4.803 1.00 0.15 C ATOM 1448 C GLU A 95 -7.346 9.546 -5.722 1.00 0.15 C ATOM 1449 O GLU A 95 -8.344 8.874 -5.895 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.738 12.021 -5.591 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.782 13.223 -4.644 1.00 0.19 C ATOM 1452 CD GLU A 95 -8.931 13.051 -3.649 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -9.941 12.486 -4.033 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -8.780 13.487 -2.519 1.00 1.55 O ATOM 0 H GLU A 95 -5.531 11.826 -4.489 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.083 10.599 -4.010 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.016 12.198 -6.388 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.709 11.883 -6.066 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.836 13.313 -4.110 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.915 14.143 -5.214 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.224 9.270 -6.320 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.112 8.104 -7.245 1.00 0.15 C ATOM 1463 C LYS A 96 -6.411 6.813 -6.482 1.00 0.14 C ATOM 1464 O LYS A 96 -7.026 5.901 -6.998 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.684 8.071 -7.774 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.540 7.059 -8.918 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.244 7.355 -9.707 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.524 8.380 -10.813 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.245 8.761 -11.479 1.00 1.45 N ATOM 0 H LYS A 96 -5.365 9.809 -6.207 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.822 8.194 -8.067 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.400 9.063 -8.125 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.000 7.811 -6.966 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.512 6.045 -8.519 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.403 7.118 -9.581 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.477 7.736 -9.033 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.856 6.434 -10.143 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -4.215 7.961 -11.544 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.003 9.263 -10.391 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.437 9.456 -12.228 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -1.599 9.177 -10.778 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.805 7.916 -11.896 1.00 1.45 H new ATOM 1483 N LEU A 97 -5.981 6.736 -5.252 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.238 5.517 -4.442 1.00 0.13 C ATOM 1485 C LEU A 97 -7.742 5.304 -4.357 1.00 0.14 C ATOM 1486 O LEU A 97 -8.239 4.197 -4.387 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.723 5.740 -3.014 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.189 5.689 -2.963 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.724 6.319 -1.639 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.688 4.221 -3.054 1.00 0.19 C ATOM 0 H LEU A 97 -5.460 7.471 -4.773 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.741 4.662 -4.899 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.070 6.706 -2.646 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.137 4.979 -2.352 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.778 6.241 -3.808 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.636 6.291 -1.585 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.064 7.354 -1.589 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.143 5.759 -0.803 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.599 4.205 -3.016 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.088 3.647 -2.218 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.025 3.779 -3.992 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.460 6.375 -4.231 1.00 0.14 N ATOM 1503 CA GLU A 98 -9.943 6.275 -4.104 1.00 0.15 C ATOM 1504 C GLU A 98 -10.558 5.687 -5.377 1.00 0.16 C ATOM 1505 O GLU A 98 -11.481 4.899 -5.318 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.515 7.676 -3.851 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.025 7.599 -3.584 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.273 6.954 -2.219 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -11.307 6.697 -1.521 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -13.427 6.730 -1.897 1.00 2.00 O ATOM 0 H GLU A 98 -8.087 7.324 -4.210 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.186 5.615 -3.272 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.012 8.132 -2.999 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.324 8.315 -4.713 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.460 8.598 -3.610 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.514 7.018 -4.366 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.081 6.077 -6.521 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.678 5.549 -7.781 1.00 0.17 C ATOM 1519 C ALA A 99 -10.370 4.061 -7.972 1.00 0.16 C ATOM 1520 O ALA A 99 -11.227 3.291 -8.356 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.142 6.343 -8.974 1.00 0.19 C ATOM 0 H ALA A 99 -9.310 6.733 -6.642 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.760 5.661 -7.714 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.579 5.956 -9.895 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.407 7.394 -8.860 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.057 6.245 -9.018 1.00 0.19 H new ATOM 1527 N THR A 100 -9.160 3.645 -7.733 1.00 0.16 N ATOM 1528 CA THR A 100 -8.829 2.207 -7.938 1.00 0.16 C ATOM 1529 C THR A 100 -9.612 1.344 -6.943 1.00 0.15 C ATOM 1530 O THR A 100 -10.096 0.281 -7.277 1.00 0.15 O ATOM 1531 CB THR A 100 -7.330 1.985 -7.741 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.608 2.933 -8.513 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.968 0.575 -8.210 1.00 0.20 C ATOM 0 H THR A 100 -8.391 4.231 -7.408 1.00 0.16 H new ATOM 0 HA THR A 100 -9.104 1.922 -8.954 1.00 0.16 H new ATOM 0 HB THR A 100 -7.076 2.102 -6.687 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.646 2.793 -8.387 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.900 0.409 -8.073 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.527 -0.157 -7.627 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.219 0.467 -9.265 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.737 1.792 -5.722 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.485 0.993 -4.702 1.00 0.13 C ATOM 1543 C ILE A 101 -11.930 0.828 -5.163 1.00 0.14 C ATOM 1544 O ILE A 101 -12.445 -0.264 -5.227 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.463 1.744 -3.363 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.050 1.683 -2.754 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.464 1.108 -2.387 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -8.870 2.814 -1.734 1.00 0.16 C ATOM 0 H ILE A 101 -9.355 2.676 -5.385 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.022 0.014 -4.582 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.740 2.783 -3.538 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.894 0.718 -2.271 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.301 1.770 -3.542 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.441 1.647 -1.440 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.467 1.159 -2.810 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.195 0.066 -2.217 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -7.868 2.764 -1.308 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.006 3.776 -2.229 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.608 2.708 -0.939 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.576 1.908 -5.503 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.985 1.821 -5.978 1.00 0.20 C ATOM 1562 C ASN A 102 -14.016 0.953 -7.230 1.00 0.19 C ATOM 1563 O ASN A 102 -14.965 0.246 -7.498 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.504 3.227 -6.309 1.00 0.25 C ATOM 1565 CG ASN A 102 -16.013 3.179 -6.565 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.719 2.384 -5.976 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.539 4.010 -7.423 1.00 0.55 N ATOM 0 H ASN A 102 -12.187 2.851 -5.472 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.617 1.385 -5.205 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.288 3.907 -5.485 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.990 3.616 -7.187 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.543 3.993 -7.600 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -15.946 4.677 -7.917 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.984 1.033 -8.014 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.930 0.248 -9.270 1.00 0.18 C ATOM 1576 C GLU A 103 -12.819 -1.248 -8.961 1.00 0.16 C ATOM 1577 O GLU A 103 -13.415 -2.074 -9.627 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.696 0.687 -10.060 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.747 0.089 -11.470 1.00 0.21 C ATOM 1580 CD GLU A 103 -12.833 0.791 -12.290 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -13.452 1.703 -11.765 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -13.026 0.406 -13.430 1.00 2.04 O ATOM 0 H GLU A 103 -12.166 1.616 -7.836 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.840 0.421 -9.845 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.657 1.775 -10.117 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.790 0.361 -9.549 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -10.779 0.202 -11.958 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -11.953 -0.980 -11.415 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.043 -1.606 -7.969 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.864 -3.053 -7.630 1.00 0.14 C ATOM 1591 C LEU A 104 -12.751 -3.453 -6.441 1.00 0.13 C ATOM 1592 O LEU A 104 -12.764 -4.600 -6.039 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.397 -3.298 -7.266 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.482 -2.940 -8.448 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -8.024 -3.169 -8.034 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.813 -3.819 -9.670 1.00 0.25 C ATOM 0 H LEU A 104 -11.524 -0.957 -7.377 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.151 -3.654 -8.493 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.127 -2.700 -6.396 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.254 -4.343 -6.991 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.637 -1.895 -8.718 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.366 -2.918 -8.866 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.785 -2.537 -7.179 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.883 -4.215 -7.763 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -9.156 -3.553 -10.498 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.667 -4.868 -9.414 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.850 -3.658 -9.963 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.486 -2.536 -5.866 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.351 -2.912 -4.703 1.00 0.15 C ATOM 1610 C VAL A 105 -15.445 -3.876 -5.176 1.00 0.16 C ATOM 1611 O VAL A 105 -16.028 -3.613 -6.215 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.005 -1.660 -4.088 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.154 -1.165 -4.981 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.552 -2.008 -2.698 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.681 -4.856 -4.490 1.00 1.08 O ATOM 0 H VAL A 105 -13.527 -1.556 -6.145 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.732 -3.392 -3.945 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.258 -0.871 -4.007 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.607 -0.280 -4.534 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.766 -0.915 -5.968 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.906 -1.949 -5.075 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.016 -1.125 -2.258 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.294 -2.802 -2.787 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.735 -2.345 -2.059 1.00 0.19 H new ATOM 1683 N LYS B 63 7.117 14.941 -6.050 1.00 0.19 N ATOM 1684 CA LYS B 63 5.959 14.005 -6.066 1.00 0.14 C ATOM 1685 C LYS B 63 6.480 12.566 -5.969 1.00 0.12 C ATOM 1686 O LYS B 63 5.759 11.658 -5.593 1.00 0.12 O ATOM 1687 CB LYS B 63 5.198 14.185 -7.385 1.00 0.17 C ATOM 1688 CG LYS B 63 4.614 15.606 -7.491 1.00 0.20 C ATOM 1689 CD LYS B 63 3.504 15.833 -6.450 1.00 0.40 C ATOM 1690 CE LYS B 63 2.682 17.063 -6.854 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.625 17.324 -5.834 1.00 1.31 N ATOM 0 HA LYS B 63 5.295 14.211 -5.226 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.868 13.999 -8.225 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.395 13.451 -7.449 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.407 16.339 -7.346 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.214 15.763 -8.493 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.861 14.955 -6.388 1.00 0.40 H new ATOM 0 HD3 LYS B 63 3.940 15.980 -5.462 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.333 17.932 -6.946 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.225 16.902 -7.831 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.071 18.159 -6.114 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 0.996 16.498 -5.766 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 2.070 17.497 -4.910 1.00 1.31 H new ATOM 1705 N ILE B 64 7.727 12.357 -6.334 1.00 0.11 N ATOM 1706 CA ILE B 64 8.350 10.985 -6.290 1.00 0.11 C ATOM 1707 C ILE B 64 9.683 11.048 -5.518 1.00 0.10 C ATOM 1708 O ILE B 64 10.444 11.980 -5.681 1.00 0.11 O ATOM 1709 CB ILE B 64 8.645 10.517 -7.726 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.337 10.300 -8.505 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.447 9.211 -7.713 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.432 9.277 -7.793 1.00 0.15 C ATOM 0 H ILE B 64 8.352 13.091 -6.667 1.00 0.11 H new ATOM 0 HA ILE B 64 7.664 10.295 -5.798 1.00 0.11 H new ATOM 0 HB ILE B 64 9.231 11.294 -8.217 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.809 11.248 -8.607 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.563 9.951 -9.512 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.646 8.896 -8.737 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.391 9.369 -7.192 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.875 8.438 -7.200 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.514 9.143 -8.365 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.953 8.323 -7.714 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.187 9.640 -6.795 1.00 0.15 H new ATOM 1724 N CYS B 65 9.989 10.055 -4.700 1.00 0.09 N ATOM 1725 CA CYS B 65 11.301 10.061 -3.965 1.00 0.10 C ATOM 1726 C CYS B 65 12.251 9.113 -4.725 1.00 0.10 C ATOM 1727 O CYS B 65 11.923 7.970 -4.978 1.00 0.11 O ATOM 1728 CB CYS B 65 11.132 9.572 -2.505 1.00 0.10 C ATOM 1729 SG CYS B 65 9.577 10.186 -1.795 1.00 0.19 S ATOM 0 H CYS B 65 9.391 9.250 -4.513 1.00 0.09 H new ATOM 0 HA CYS B 65 11.698 11.075 -3.923 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.144 8.482 -2.478 1.00 0.10 H new ATOM 0 HB3 CYS B 65 11.973 9.915 -1.902 1.00 0.10 H new ATOM 1734 N SER B 66 13.402 9.588 -5.129 1.00 0.12 N ATOM 1735 CA SER B 66 14.342 8.721 -5.914 1.00 0.14 C ATOM 1736 C SER B 66 15.050 7.699 -5.012 1.00 0.14 C ATOM 1737 O SER B 66 15.476 8.003 -3.915 1.00 0.15 O ATOM 1738 CB SER B 66 15.400 9.608 -6.579 1.00 0.18 C ATOM 1739 OG SER B 66 14.766 10.503 -7.482 1.00 0.20 O ATOM 0 H SER B 66 13.734 10.536 -4.951 1.00 0.12 H new ATOM 0 HA SER B 66 13.762 8.179 -6.661 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.950 10.167 -5.822 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.126 8.992 -7.110 1.00 0.18 H new ATOM 0 HG SER B 66 15.441 11.072 -7.907 1.00 0.20 H new ATOM 1745 N TRP B 67 15.210 6.491 -5.495 1.00 0.15 N ATOM 1746 CA TRP B 67 15.911 5.442 -4.699 1.00 0.16 C ATOM 1747 C TRP B 67 17.410 5.721 -4.730 1.00 0.19 C ATOM 1748 O TRP B 67 18.175 5.136 -3.991 1.00 0.21 O ATOM 1749 CB TRP B 67 15.633 4.056 -5.300 1.00 0.16 C ATOM 1750 CG TRP B 67 14.213 3.678 -5.030 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.147 4.405 -5.405 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.685 2.509 -4.329 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.996 3.761 -4.992 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.280 2.593 -4.317 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.280 1.398 -3.709 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.497 1.616 -3.713 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.494 0.413 -3.101 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.106 0.526 -3.102 1.00 0.16 C ATOM 0 H TRP B 67 14.882 6.187 -6.412 1.00 0.15 H new ATOM 0 HA TRP B 67 15.550 5.460 -3.671 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.821 4.068 -6.374 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.307 3.317 -4.867 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.184 5.341 -5.942 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.052 4.107 -5.165 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.356 1.303 -3.701 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.421 1.703 -3.718 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.965 -0.437 -2.630 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.502 -0.234 -2.628 1.00 0.16 H new ATOM 1769 N ASN B 68 17.834 6.635 -5.564 1.00 0.23 N ATOM 1770 CA ASN B 68 19.288 6.964 -5.630 1.00 0.27 C ATOM 1771 C ASN B 68 19.788 7.247 -4.214 1.00 0.26 C ATOM 1772 O ASN B 68 20.974 7.315 -3.965 1.00 0.30 O ATOM 1773 CB ASN B 68 19.498 8.215 -6.491 1.00 0.34 C ATOM 1774 CG ASN B 68 19.222 7.894 -7.962 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.426 8.727 -8.823 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.770 6.717 -8.290 1.00 0.40 N ATOM 0 H ASN B 68 17.238 7.166 -6.200 1.00 0.23 H new ATOM 0 HA ASN B 68 19.834 6.128 -6.068 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.836 9.013 -6.154 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.519 8.578 -6.375 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.588 6.495 -9.269 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.598 6.017 -7.568 1.00 0.40 H new