USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 853 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 96 LYS NZ :NH3+ -122:sc= 0.178 (180deg=-0.348) USER MOD Set 1.2: A 100 THR OG1 : rot 167:sc= 0.709 USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= -0.112 (180deg=-0.74) USER MOD Single : A 4 GLN : amide:sc= -0.882 X(o=-0.88,f=-0.88) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -155:sc= -0.107 (180deg=-0.839) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0055 X(o=-0.0055,f=-0.35) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -179:sc= -1.98 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= -0.197 (180deg=-1.12!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -134:sc= -1.83 (180deg=-4.35!) USER MOD Single : A 43 HIS : no HD1:sc= -0.707 K(o=-0.71,f=-0.12) USER MOD Single : A 44 SER OG : rot -32:sc= 0.0756 USER MOD Single : A 46 SER OG : rot 94:sc= -1.08 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.21! X(o=-2.2!,f=-2) USER MOD Single : A 63 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.31) USER MOD Single : A 67 SER OG : rot 106:sc= 0.89 USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.058 (180deg=-0.47) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 76 THR OG1 : rot -54:sc= -0.897! USER MOD Single : A 78 GLN : amide:sc= -2.44 X(o=-2.4,f=-2.6!) USER MOD Single : A 81 LYS NZ :NH3+ 141:sc= -1.11 (180deg=-2.55!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 148:sc= -0.852 (180deg=-1.48) USER MOD Single : A 90 SER OG : rot 106:sc= 0.345 USER MOD Single : A 93 ASN : amide:sc= -3.63! K(o=-3.6!,f=-1.5) USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= 0.152! (180deg=-0.746) USER MOD Single : A 102 ASN : amide:sc= -1.63 K(o=-1.6,f=-0.97!) USER MOD Single : B 5 TYR OH : rot 4:sc= -2.64 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.112 -1.690 8.981 1.00 0.24 N ATOM 21 CA VAL A 2 -2.853 -1.626 8.175 1.00 0.19 C ATOM 22 C VAL A 2 -2.057 -2.919 8.368 1.00 0.22 C ATOM 23 O VAL A 2 -2.332 -3.703 9.254 1.00 0.28 O ATOM 24 CB VAL A 2 -2.013 -0.434 8.649 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.772 -0.288 7.763 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.853 0.846 8.568 1.00 0.30 C ATOM 0 HA VAL A 2 -3.098 -1.507 7.120 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.700 -0.601 9.680 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.179 0.560 8.104 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.173 -1.197 7.823 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -1.080 -0.124 6.730 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.257 1.694 8.905 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.168 1.010 7.537 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.732 0.745 9.204 1.00 0.30 H new ATOM 36 N LYS A 3 -1.065 -3.145 7.546 1.00 0.18 N ATOM 37 CA LYS A 3 -0.239 -4.382 7.682 1.00 0.22 C ATOM 38 C LYS A 3 1.153 -4.119 7.113 1.00 0.16 C ATOM 39 O LYS A 3 1.310 -3.784 5.955 1.00 0.13 O ATOM 40 CB LYS A 3 -0.882 -5.537 6.910 1.00 0.26 C ATOM 41 CG LYS A 3 -0.138 -6.839 7.222 1.00 0.34 C ATOM 42 CD LYS A 3 -0.965 -8.032 6.743 1.00 0.81 C ATOM 43 CE LYS A 3 -0.282 -9.332 7.172 1.00 1.37 C ATOM 44 NZ LYS A 3 1.172 -9.261 6.849 1.00 1.97 N ATOM 0 H LYS A 3 -0.791 -2.524 6.784 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.172 -4.650 8.736 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.933 -5.632 7.185 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.850 -5.335 5.839 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.836 -6.839 6.732 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.044 -6.917 8.294 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.971 -7.982 7.161 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.069 -8.004 5.658 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.420 -9.492 8.241 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -0.738 -10.180 6.661 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.571 -10.221 6.833 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.299 -8.817 5.917 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 1.661 -8.695 7.572 1.00 1.97 H new ATOM 58 N GLN A 4 2.163 -4.258 7.923 1.00 0.18 N ATOM 59 CA GLN A 4 3.553 -4.009 7.444 1.00 0.15 C ATOM 60 C GLN A 4 4.156 -5.308 6.898 1.00 0.13 C ATOM 61 O GLN A 4 4.099 -6.349 7.523 1.00 0.14 O ATOM 62 CB GLN A 4 4.389 -3.488 8.622 1.00 0.20 C ATOM 63 CG GLN A 4 5.891 -3.622 8.323 1.00 0.21 C ATOM 64 CD GLN A 4 6.689 -2.754 9.299 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.824 -3.092 10.458 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.227 -1.643 8.876 1.00 0.98 N ATOM 0 H GLN A 4 2.087 -4.535 8.902 1.00 0.18 H new ATOM 0 HA GLN A 4 3.547 -3.270 6.643 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.143 -2.444 8.815 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.142 -4.046 9.525 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.198 -4.664 8.413 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.096 -3.316 7.297 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.113 -1.360 7.903 1.00 0.98 H new ATOM 0 HE22 GLN A 4 7.761 -1.058 9.519 1.00 0.98 H new ATOM 75 N ILE A 5 4.754 -5.237 5.737 1.00 0.10 N ATOM 76 CA ILE A 5 5.397 -6.438 5.122 1.00 0.10 C ATOM 77 C ILE A 5 6.915 -6.267 5.225 1.00 0.10 C ATOM 78 O ILE A 5 7.484 -5.388 4.608 1.00 0.11 O ATOM 79 CB ILE A 5 5.006 -6.527 3.643 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.517 -6.160 3.441 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.294 -7.933 3.110 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.586 -7.046 4.285 1.00 0.19 C ATOM 0 H ILE A 5 4.825 -4.385 5.180 1.00 0.10 H new ATOM 0 HA ILE A 5 5.074 -7.343 5.636 1.00 0.10 H new ATOM 0 HB ILE A 5 5.605 -5.809 3.082 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.362 -5.114 3.707 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.258 -6.263 2.387 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.013 -7.988 2.058 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.357 -8.151 3.214 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.717 -8.663 3.678 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.550 -6.754 4.112 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.721 -8.090 4.001 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.826 -6.924 5.341 1.00 0.19 H new ATOM 94 N GLU A 6 7.572 -7.082 6.002 1.00 0.11 N ATOM 95 CA GLU A 6 9.055 -6.948 6.151 1.00 0.14 C ATOM 96 C GLU A 6 9.763 -8.003 5.293 1.00 0.14 C ATOM 97 O GLU A 6 10.965 -7.968 5.123 1.00 0.17 O ATOM 98 CB GLU A 6 9.434 -7.159 7.618 1.00 0.18 C ATOM 99 CG GLU A 6 8.523 -6.328 8.524 1.00 0.31 C ATOM 100 CD GLU A 6 8.771 -4.840 8.267 1.00 1.20 C ATOM 101 OE1 GLU A 6 8.325 -4.353 7.242 1.00 1.96 O ATOM 102 OE2 GLU A 6 9.401 -4.213 9.103 1.00 1.97 O ATOM 0 H GLU A 6 7.149 -7.837 6.542 1.00 0.11 H new ATOM 0 HA GLU A 6 9.361 -5.954 5.825 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.349 -8.215 7.875 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.474 -6.875 7.777 1.00 0.18 H new ATOM 0 HG2 GLU A 6 7.479 -6.573 8.331 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.718 -6.565 9.570 1.00 0.31 H new ATOM 109 N SER A 7 9.032 -8.942 4.749 1.00 0.13 N ATOM 110 CA SER A 7 9.676 -9.993 3.905 1.00 0.15 C ATOM 111 C SER A 7 8.671 -10.527 2.884 1.00 0.14 C ATOM 112 O SER A 7 7.474 -10.462 3.079 1.00 0.12 O ATOM 113 CB SER A 7 10.151 -11.140 4.796 1.00 0.20 C ATOM 114 OG SER A 7 9.061 -11.607 5.581 1.00 0.23 O ATOM 0 H SER A 7 8.021 -9.026 4.852 1.00 0.13 H new ATOM 0 HA SER A 7 10.527 -9.559 3.380 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.548 -11.951 4.185 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.961 -10.802 5.442 1.00 0.20 H new ATOM 0 HG SER A 7 9.362 -12.344 6.153 1.00 0.23 H new ATOM 120 N LYS A 8 9.156 -11.055 1.794 1.00 0.15 N ATOM 121 CA LYS A 8 8.242 -11.598 0.752 1.00 0.14 C ATOM 122 C LYS A 8 7.252 -12.579 1.392 1.00 0.14 C ATOM 123 O LYS A 8 6.170 -12.803 0.888 1.00 0.13 O ATOM 124 CB LYS A 8 9.069 -12.325 -0.314 1.00 0.17 C ATOM 125 CG LYS A 8 8.232 -12.513 -1.581 1.00 0.21 C ATOM 126 CD LYS A 8 8.974 -13.433 -2.553 1.00 0.22 C ATOM 127 CE LYS A 8 8.048 -13.805 -3.713 1.00 1.06 C ATOM 128 NZ LYS A 8 6.892 -14.588 -3.194 1.00 1.90 N ATOM 0 H LYS A 8 10.150 -11.134 1.580 1.00 0.15 H new ATOM 0 HA LYS A 8 7.687 -10.780 0.292 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.968 -11.753 -0.543 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.396 -13.294 0.064 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.262 -12.941 -1.328 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.042 -11.548 -2.051 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.867 -12.935 -2.932 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.306 -14.333 -2.036 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.695 -12.904 -4.214 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.593 -14.389 -4.455 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.508 -15.186 -3.954 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 7.206 -15.189 -2.406 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 6.153 -13.937 -2.860 1.00 1.90 H new ATOM 142 N THR A 9 7.618 -13.173 2.494 1.00 0.16 N ATOM 143 CA THR A 9 6.704 -14.145 3.159 1.00 0.18 C ATOM 144 C THR A 9 5.402 -13.450 3.568 1.00 0.16 C ATOM 145 O THR A 9 4.318 -13.929 3.298 1.00 0.17 O ATOM 146 CB THR A 9 7.384 -14.712 4.399 1.00 0.21 C ATOM 147 OG1 THR A 9 8.580 -15.380 4.019 1.00 0.24 O ATOM 148 CG2 THR A 9 6.444 -15.695 5.098 1.00 0.25 C ATOM 0 H THR A 9 8.512 -13.027 2.964 1.00 0.16 H new ATOM 0 HA THR A 9 6.474 -14.951 2.462 1.00 0.18 H new ATOM 0 HB THR A 9 7.625 -13.899 5.084 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.019 -15.744 4.816 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.933 -16.099 5.984 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.530 -15.178 5.392 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.198 -16.510 4.417 1.00 0.25 H new ATOM 156 N ALA A 10 5.503 -12.329 4.222 1.00 0.16 N ATOM 157 CA ALA A 10 4.277 -11.601 4.663 1.00 0.17 C ATOM 158 C ALA A 10 3.555 -11.012 3.445 1.00 0.15 C ATOM 159 O ALA A 10 2.374 -10.731 3.494 1.00 0.17 O ATOM 160 CB ALA A 10 4.680 -10.482 5.633 1.00 0.20 C ATOM 0 H ALA A 10 6.385 -11.881 4.473 1.00 0.16 H new ATOM 0 HA ALA A 10 3.601 -12.291 5.168 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.789 -9.945 5.960 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.181 -10.914 6.499 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.356 -9.791 5.130 1.00 0.20 H new ATOM 166 N PHE A 11 4.249 -10.817 2.357 1.00 0.12 N ATOM 167 CA PHE A 11 3.588 -10.239 1.149 1.00 0.11 C ATOM 168 C PHE A 11 2.439 -11.138 0.700 1.00 0.13 C ATOM 169 O PHE A 11 1.289 -10.756 0.753 1.00 0.16 O ATOM 170 CB PHE A 11 4.605 -10.113 0.010 1.00 0.10 C ATOM 171 CG PHE A 11 3.914 -9.589 -1.229 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.457 -8.257 -1.269 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.729 -10.429 -2.347 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.816 -7.765 -2.423 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.087 -9.937 -3.500 1.00 0.18 C ATOM 176 CZ PHE A 11 2.631 -8.606 -3.538 1.00 0.21 C ATOM 0 H PHE A 11 5.241 -11.031 2.251 1.00 0.12 H new ATOM 0 HA PHE A 11 3.198 -9.253 1.401 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.411 -9.440 0.301 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.058 -11.083 -0.196 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.598 -7.612 -0.414 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.080 -11.450 -2.319 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.467 -6.744 -2.453 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.945 -10.581 -4.355 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.139 -8.229 -4.422 1.00 0.21 H new ATOM 186 N GLN A 12 2.736 -12.324 0.248 1.00 0.15 N ATOM 187 CA GLN A 12 1.650 -13.233 -0.218 1.00 0.19 C ATOM 188 C GLN A 12 0.621 -13.425 0.896 1.00 0.17 C ATOM 189 O GLN A 12 -0.571 -13.382 0.666 1.00 0.16 O ATOM 190 CB GLN A 12 2.247 -14.590 -0.598 1.00 0.24 C ATOM 191 CG GLN A 12 3.373 -14.386 -1.614 1.00 1.21 C ATOM 192 CD GLN A 12 4.029 -15.732 -1.926 1.00 1.77 C ATOM 193 OE1 GLN A 12 5.084 -16.041 -1.407 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.446 -16.553 -2.757 1.00 2.47 N ATOM 0 H GLN A 12 3.680 -12.703 0.181 1.00 0.15 H new ATOM 0 HA GLN A 12 1.162 -12.792 -1.087 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.631 -15.092 0.290 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.475 -15.234 -1.019 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.977 -13.942 -2.527 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.114 -13.692 -1.217 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.561 -16.294 -3.193 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.876 -17.453 -2.970 1.00 2.47 H new ATOM 203 N GLU A 13 1.068 -13.639 2.100 1.00 0.19 N ATOM 204 CA GLU A 13 0.116 -13.838 3.224 1.00 0.20 C ATOM 205 C GLU A 13 -0.791 -12.611 3.362 1.00 0.18 C ATOM 206 O GLU A 13 -1.956 -12.728 3.686 1.00 0.19 O ATOM 207 CB GLU A 13 0.906 -14.044 4.517 1.00 0.25 C ATOM 208 CG GLU A 13 1.457 -15.473 4.568 1.00 0.30 C ATOM 209 CD GLU A 13 2.530 -15.571 5.655 1.00 1.29 C ATOM 210 OE1 GLU A 13 3.210 -14.583 5.881 1.00 2.10 O ATOM 211 OE2 GLU A 13 2.654 -16.633 6.242 1.00 2.03 O ATOM 0 H GLU A 13 2.055 -13.685 2.354 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.503 -14.714 3.028 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.725 -13.327 4.572 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.264 -13.861 5.379 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.651 -16.177 4.774 1.00 0.30 H new ATOM 0 HG3 GLU A 13 1.879 -15.746 3.601 1.00 0.30 H new ATOM 218 N ALA A 14 -0.274 -11.437 3.124 1.00 0.18 N ATOM 219 CA ALA A 14 -1.123 -10.218 3.250 1.00 0.18 C ATOM 220 C ALA A 14 -2.288 -10.305 2.258 1.00 0.18 C ATOM 221 O ALA A 14 -3.427 -10.043 2.591 1.00 0.19 O ATOM 222 CB ALA A 14 -0.279 -8.982 2.945 1.00 0.20 C ATOM 0 H ALA A 14 0.694 -11.269 2.849 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.517 -10.147 4.264 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.896 -8.088 3.036 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.550 -8.924 3.651 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.113 -9.050 1.930 1.00 0.20 H new ATOM 228 N LEU A 15 -2.003 -10.675 1.039 1.00 0.17 N ATOM 229 CA LEU A 15 -3.076 -10.790 0.007 1.00 0.18 C ATOM 230 C LEU A 15 -4.061 -11.889 0.415 1.00 0.18 C ATOM 231 O LEU A 15 -5.261 -11.700 0.389 1.00 0.18 O ATOM 232 CB LEU A 15 -2.443 -11.141 -1.347 1.00 0.19 C ATOM 233 CG LEU A 15 -1.162 -10.320 -1.549 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.583 -10.604 -2.938 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.486 -8.828 -1.427 1.00 0.62 C ATOM 0 H LEU A 15 -1.065 -10.905 0.710 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.608 -9.842 -0.076 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.214 -12.206 -1.387 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.148 -10.936 -2.153 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.432 -10.597 -0.789 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.326 -10.020 -3.079 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.350 -11.665 -3.025 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.313 -10.329 -3.700 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.576 -8.245 -1.570 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.218 -8.551 -2.186 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.895 -8.624 -0.437 1.00 0.62 H new ATOM 247 N ASP A 16 -3.564 -13.035 0.788 1.00 0.19 N ATOM 248 CA ASP A 16 -4.474 -14.143 1.194 1.00 0.21 C ATOM 249 C ASP A 16 -5.250 -13.738 2.449 1.00 0.20 C ATOM 250 O ASP A 16 -6.402 -14.082 2.616 1.00 0.20 O ATOM 251 CB ASP A 16 -3.647 -15.396 1.487 1.00 0.24 C ATOM 252 CG ASP A 16 -4.580 -16.544 1.876 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.549 -16.760 1.168 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.310 -17.186 2.877 1.00 1.09 O ATOM 0 H ASP A 16 -2.568 -13.253 0.829 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.177 -14.349 0.387 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -3.061 -15.671 0.610 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.941 -15.198 2.293 1.00 0.24 H new ATOM 259 N ALA A 17 -4.627 -13.010 3.336 1.00 0.22 N ATOM 260 CA ALA A 17 -5.332 -12.586 4.580 1.00 0.24 C ATOM 261 C ALA A 17 -6.229 -11.384 4.279 1.00 0.21 C ATOM 262 O ALA A 17 -7.146 -11.081 5.016 1.00 0.22 O ATOM 263 CB ALA A 17 -4.301 -12.198 5.643 1.00 0.30 C ATOM 0 H ALA A 17 -3.662 -12.691 3.253 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.943 -13.410 4.947 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.815 -11.888 6.553 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.663 -13.055 5.861 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.689 -11.375 5.273 1.00 0.30 H new ATOM 269 N ALA A 18 -5.972 -10.694 3.201 1.00 0.21 N ATOM 270 CA ALA A 18 -6.810 -9.512 2.855 1.00 0.22 C ATOM 271 C ALA A 18 -8.215 -9.973 2.459 1.00 0.21 C ATOM 272 O ALA A 18 -9.098 -9.172 2.227 1.00 0.24 O ATOM 273 CB ALA A 18 -6.169 -8.758 1.686 1.00 0.23 C ATOM 0 H ALA A 18 -5.218 -10.898 2.545 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.879 -8.852 3.720 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.781 -7.893 1.432 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.171 -8.425 1.971 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.098 -9.419 0.822 1.00 0.23 H new ATOM 279 N GLY A 19 -8.430 -11.258 2.380 1.00 0.22 N ATOM 280 CA GLY A 19 -9.779 -11.764 1.998 1.00 0.24 C ATOM 281 C GLY A 19 -10.049 -11.436 0.528 1.00 0.20 C ATOM 282 O GLY A 19 -9.441 -11.995 -0.363 1.00 0.28 O ATOM 0 H GLY A 19 -7.731 -11.978 2.563 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.834 -12.841 2.157 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.542 -11.309 2.629 1.00 0.24 H new ATOM 286 N ASP A 20 -10.962 -10.532 0.268 1.00 0.13 N ATOM 287 CA ASP A 20 -11.282 -10.159 -1.146 1.00 0.18 C ATOM 288 C ASP A 20 -11.462 -8.640 -1.246 1.00 0.15 C ATOM 289 O ASP A 20 -11.795 -8.116 -2.290 1.00 0.22 O ATOM 290 CB ASP A 20 -12.575 -10.862 -1.576 1.00 0.26 C ATOM 291 CG ASP A 20 -12.588 -12.289 -1.023 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.892 -12.446 0.148 1.00 2.21 O ATOM 293 OD2 ASP A 20 -12.294 -13.200 -1.779 1.00 2.19 O ATOM 0 H ASP A 20 -11.501 -10.035 0.977 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.467 -10.468 -1.800 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.441 -10.311 -1.209 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.647 -10.881 -2.663 1.00 0.26 H new ATOM 298 N LYS A 21 -11.242 -7.929 -0.172 1.00 0.12 N ATOM 299 CA LYS A 21 -11.399 -6.450 -0.215 1.00 0.19 C ATOM 300 C LYS A 21 -10.271 -5.842 -1.042 1.00 0.15 C ATOM 301 O LYS A 21 -9.344 -6.520 -1.442 1.00 0.15 O ATOM 302 CB LYS A 21 -11.340 -5.898 1.207 1.00 0.27 C ATOM 303 CG LYS A 21 -12.674 -6.150 1.911 1.00 0.29 C ATOM 304 CD LYS A 21 -12.518 -5.853 3.405 1.00 0.30 C ATOM 305 CE LYS A 21 -13.892 -5.671 4.055 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.550 -6.999 4.207 1.00 1.90 N ATOM 0 H LYS A 21 -10.961 -8.310 0.731 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.357 -6.197 -0.668 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.530 -6.374 1.759 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.125 -4.830 1.185 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.451 -5.518 1.481 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.987 -7.184 1.764 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.983 -6.669 3.891 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.920 -4.952 3.544 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.785 -5.193 5.029 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.511 -5.014 3.444 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.483 -6.875 4.649 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.665 -7.439 3.271 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.961 -7.611 4.807 1.00 1.90 H new ATOM 320 N LEU A 22 -10.341 -4.568 -1.298 1.00 0.13 N ATOM 321 CA LEU A 22 -9.276 -3.916 -2.092 1.00 0.11 C ATOM 322 C LEU A 22 -7.967 -3.987 -1.287 1.00 0.10 C ATOM 323 O LEU A 22 -7.984 -4.193 -0.089 1.00 0.11 O ATOM 324 CB LEU A 22 -9.687 -2.447 -2.348 1.00 0.12 C ATOM 325 CG LEU A 22 -9.631 -2.076 -3.844 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.932 -0.576 -3.989 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.239 -2.383 -4.436 1.00 0.11 C ATOM 0 H LEU A 22 -11.093 -3.952 -0.989 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.132 -4.413 -3.051 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.697 -2.284 -1.973 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.028 -1.785 -1.787 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.369 -2.667 -4.386 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.896 -0.298 -5.042 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.924 -0.364 -3.591 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.189 -0.001 -3.436 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -8.225 -2.113 -5.492 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.482 -1.807 -3.904 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -8.025 -3.447 -4.331 1.00 0.11 H new ATOM 339 N VAL A 23 -6.837 -3.820 -1.924 1.00 0.08 N ATOM 340 CA VAL A 23 -5.543 -3.881 -1.177 1.00 0.09 C ATOM 341 C VAL A 23 -4.552 -2.885 -1.786 1.00 0.08 C ATOM 342 O VAL A 23 -3.979 -3.129 -2.827 1.00 0.09 O ATOM 343 CB VAL A 23 -4.965 -5.296 -1.273 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.890 -5.488 -0.201 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.085 -6.317 -1.058 1.00 0.10 C ATOM 0 H VAL A 23 -6.753 -3.645 -2.925 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.716 -3.627 -0.131 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.522 -5.439 -2.258 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.481 -6.496 -0.272 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.092 -4.761 -0.352 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.330 -5.344 0.786 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.676 -7.325 -1.126 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.527 -6.170 -0.072 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.851 -6.184 -1.822 1.00 0.10 H new ATOM 355 N VAL A 24 -4.338 -1.769 -1.133 1.00 0.08 N ATOM 356 CA VAL A 24 -3.375 -0.752 -1.658 1.00 0.08 C ATOM 357 C VAL A 24 -2.052 -0.892 -0.901 1.00 0.08 C ATOM 358 O VAL A 24 -2.028 -0.992 0.310 1.00 0.08 O ATOM 359 CB VAL A 24 -3.950 0.651 -1.451 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.193 1.654 -2.328 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.434 0.656 -1.829 1.00 0.09 C ATOM 0 H VAL A 24 -4.791 -1.518 -0.255 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.206 -0.910 -2.723 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.841 0.935 -0.404 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.605 2.652 -2.178 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.138 1.652 -2.055 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.297 1.372 -3.376 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.844 1.655 -1.682 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.544 0.369 -2.875 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.972 -0.053 -1.200 1.00 0.09 H new ATOM 371 N VAL A 25 -0.953 -0.916 -1.611 1.00 0.09 N ATOM 372 CA VAL A 25 0.386 -1.069 -0.953 1.00 0.09 C ATOM 373 C VAL A 25 1.150 0.251 -1.020 1.00 0.10 C ATOM 374 O VAL A 25 1.150 0.926 -2.028 1.00 0.17 O ATOM 375 CB VAL A 25 1.192 -2.139 -1.692 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.396 -2.550 -0.846 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.308 -3.361 -1.950 1.00 0.09 C ATOM 0 H VAL A 25 -0.923 -0.836 -2.627 1.00 0.09 H new ATOM 0 HA VAL A 25 0.241 -1.357 0.088 1.00 0.09 H new ATOM 0 HB VAL A 25 1.539 -1.735 -2.643 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.969 -3.312 -1.374 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.028 -1.681 -0.666 1.00 0.12 H new ATOM 0 HG13 VAL A 25 2.051 -2.951 0.107 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.884 -4.122 -2.477 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.042 -3.764 -1.000 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.548 -3.069 -2.558 1.00 0.09 H new ATOM 387 N ASP A 26 1.813 0.612 0.049 1.00 0.08 N ATOM 388 CA ASP A 26 2.600 1.883 0.067 1.00 0.08 C ATOM 389 C ASP A 26 4.095 1.549 0.050 1.00 0.08 C ATOM 390 O ASP A 26 4.685 1.239 1.065 1.00 0.09 O ATOM 391 CB ASP A 26 2.260 2.673 1.339 1.00 0.09 C ATOM 392 CG ASP A 26 3.234 3.843 1.502 1.00 0.09 C ATOM 393 OD1 ASP A 26 2.955 4.901 0.965 1.00 0.93 O ATOM 394 OD2 ASP A 26 4.244 3.660 2.163 1.00 0.96 O ATOM 0 H ASP A 26 1.843 0.077 0.917 1.00 0.08 H new ATOM 0 HA ASP A 26 2.352 2.484 -0.808 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.237 3.045 1.284 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.315 2.019 2.209 1.00 0.09 H new ATOM 399 N PHE A 27 4.715 1.624 -1.097 1.00 0.08 N ATOM 400 CA PHE A 27 6.173 1.329 -1.182 1.00 0.09 C ATOM 401 C PHE A 27 6.930 2.621 -0.880 1.00 0.11 C ATOM 402 O PHE A 27 7.427 3.280 -1.773 1.00 0.13 O ATOM 403 CB PHE A 27 6.517 0.876 -2.603 1.00 0.10 C ATOM 404 CG PHE A 27 6.143 -0.574 -2.808 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.824 -0.926 -3.159 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.123 -1.573 -2.670 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.488 -2.280 -3.369 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.789 -2.924 -2.882 1.00 0.21 C ATOM 409 CZ PHE A 27 5.472 -3.278 -3.231 1.00 0.23 C ATOM 0 H PHE A 27 4.273 1.878 -1.980 1.00 0.08 H new ATOM 0 HA PHE A 27 6.444 0.545 -0.475 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.989 1.498 -3.326 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.583 1.011 -2.785 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.071 -0.159 -3.267 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.134 -1.303 -2.401 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.477 -2.551 -3.635 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.544 -3.689 -2.777 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.216 -4.315 -3.393 1.00 0.23 H new ATOM 419 N SER A 28 7.006 2.993 0.373 1.00 0.11 N ATOM 420 CA SER A 28 7.716 4.252 0.760 1.00 0.12 C ATOM 421 C SER A 28 8.963 3.910 1.573 1.00 0.10 C ATOM 422 O SER A 28 9.013 2.911 2.263 1.00 0.11 O ATOM 423 CB SER A 28 6.782 5.108 1.613 1.00 0.17 C ATOM 424 OG SER A 28 5.573 5.336 0.901 1.00 1.03 O ATOM 0 H SER A 28 6.603 2.473 1.153 1.00 0.11 H new ATOM 0 HA SER A 28 8.007 4.797 -0.138 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.572 4.607 2.558 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.260 6.057 1.855 1.00 0.17 H new ATOM 0 HG SER A 28 4.977 5.897 1.440 1.00 1.03 H new ATOM 430 N ALA A 29 9.967 4.740 1.506 1.00 0.10 N ATOM 431 CA ALA A 29 11.213 4.480 2.283 1.00 0.15 C ATOM 432 C ALA A 29 11.097 5.182 3.643 1.00 0.18 C ATOM 433 O ALA A 29 10.775 6.351 3.725 1.00 0.26 O ATOM 434 CB ALA A 29 12.415 5.027 1.497 1.00 0.19 C ATOM 0 H ALA A 29 9.979 5.591 0.944 1.00 0.10 H new ATOM 0 HA ALA A 29 11.353 3.411 2.442 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.331 4.841 2.058 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.474 4.529 0.529 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.293 6.100 1.346 1.00 0.19 H new ATOM 440 N THR A 30 11.343 4.472 4.709 1.00 0.18 N ATOM 441 CA THR A 30 11.236 5.090 6.061 1.00 0.23 C ATOM 442 C THR A 30 12.319 6.158 6.245 1.00 0.26 C ATOM 443 O THR A 30 12.171 7.074 7.030 1.00 0.31 O ATOM 444 CB THR A 30 11.406 4.007 7.129 1.00 0.26 C ATOM 445 OG1 THR A 30 11.322 4.598 8.419 1.00 0.32 O ATOM 446 CG2 THR A 30 12.767 3.329 6.963 1.00 0.28 C ATOM 0 H THR A 30 11.614 3.489 4.702 1.00 0.18 H new ATOM 0 HA THR A 30 10.257 5.558 6.159 1.00 0.23 H new ATOM 0 HB THR A 30 10.618 3.262 7.018 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.429 3.905 9.104 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.885 2.558 7.725 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.829 2.874 5.974 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.559 4.071 7.071 1.00 0.28 H new ATOM 454 N TRP A 31 13.413 6.044 5.540 1.00 0.26 N ATOM 455 CA TRP A 31 14.513 7.047 5.689 1.00 0.32 C ATOM 456 C TRP A 31 14.331 8.194 4.690 1.00 0.32 C ATOM 457 O TRP A 31 14.974 9.221 4.789 1.00 0.36 O ATOM 458 CB TRP A 31 15.857 6.356 5.430 1.00 0.34 C ATOM 459 CG TRP A 31 16.011 6.062 3.970 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.662 4.903 3.368 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.542 6.925 2.927 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.957 4.993 2.018 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.497 6.222 1.694 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.057 8.241 2.929 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.948 6.804 0.501 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.510 8.833 1.732 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.456 8.115 0.520 1.00 0.40 C ATOM 0 H TRP A 31 13.595 5.300 4.866 1.00 0.26 H new ATOM 0 HA TRP A 31 14.488 7.456 6.699 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.674 6.993 5.769 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.916 5.431 6.003 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.225 4.047 3.860 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.795 4.243 1.345 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.104 8.797 3.854 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.906 6.250 -0.425 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.900 9.840 1.744 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.805 8.572 -0.394 1.00 0.40 H new ATOM 478 N CYS A 32 13.479 8.023 3.716 1.00 0.28 N ATOM 479 CA CYS A 32 13.279 9.097 2.697 1.00 0.30 C ATOM 480 C CYS A 32 12.102 9.987 3.105 1.00 0.31 C ATOM 481 O CYS A 32 10.963 9.566 3.139 1.00 0.29 O ATOM 482 CB CYS A 32 13.019 8.440 1.339 1.00 0.28 C ATOM 483 SG CYS A 32 13.544 9.559 0.014 1.00 0.32 S ATOM 0 H CYS A 32 12.912 7.186 3.580 1.00 0.28 H new ATOM 0 HA CYS A 32 14.168 9.723 2.629 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.562 7.497 1.270 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.960 8.206 1.233 1.00 0.28 H new ATOM 488 N GLY A 33 12.390 11.218 3.423 1.00 0.34 N ATOM 489 CA GLY A 33 11.329 12.171 3.845 1.00 0.36 C ATOM 490 C GLY A 33 10.200 12.272 2.807 1.00 0.35 C ATOM 491 O GLY A 33 9.055 12.089 3.152 1.00 0.33 O ATOM 0 H GLY A 33 13.332 11.609 3.408 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.915 11.852 4.801 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.768 13.157 4.000 1.00 0.36 H new ATOM 495 N PRO A 34 10.532 12.595 1.575 1.00 0.37 N ATOM 496 CA PRO A 34 9.511 12.763 0.520 1.00 0.38 C ATOM 497 C PRO A 34 8.550 11.568 0.470 1.00 0.35 C ATOM 498 O PRO A 34 7.361 11.729 0.278 1.00 0.36 O ATOM 499 CB PRO A 34 10.320 12.906 -0.791 1.00 0.42 C ATOM 500 CG PRO A 34 11.802 13.149 -0.382 1.00 0.44 C ATOM 501 CD PRO A 34 11.924 12.811 1.123 1.00 0.40 C ATOM 0 HA PRO A 34 8.875 13.630 0.700 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.230 12.007 -1.401 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.943 13.736 -1.389 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.471 12.523 -0.972 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.087 14.184 -0.568 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.534 11.921 1.281 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.397 13.624 1.674 1.00 0.40 H new ATOM 509 N ALA A 35 9.042 10.377 0.640 1.00 0.33 N ATOM 510 CA ALA A 35 8.131 9.200 0.594 1.00 0.32 C ATOM 511 C ALA A 35 7.342 9.131 1.903 1.00 0.39 C ATOM 512 O ALA A 35 6.128 9.182 1.917 1.00 0.81 O ATOM 513 CB ALA A 35 8.959 7.924 0.416 1.00 0.36 C ATOM 0 H ALA A 35 10.026 10.166 0.807 1.00 0.33 H new ATOM 0 HA ALA A 35 7.439 9.295 -0.243 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.294 7.061 0.382 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.524 7.984 -0.514 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.649 7.818 1.253 1.00 0.36 H new ATOM 519 N LYS A 36 8.031 9.015 2.999 1.00 0.30 N ATOM 520 CA LYS A 36 7.350 8.943 4.321 1.00 0.28 C ATOM 521 C LYS A 36 6.537 10.218 4.581 1.00 0.24 C ATOM 522 O LYS A 36 5.668 10.247 5.429 1.00 0.25 O ATOM 523 CB LYS A 36 8.415 8.798 5.409 1.00 0.35 C ATOM 524 CG LYS A 36 7.736 8.576 6.759 1.00 0.38 C ATOM 525 CD LYS A 36 8.788 8.257 7.832 1.00 0.49 C ATOM 526 CE LYS A 36 9.605 9.510 8.177 1.00 1.22 C ATOM 527 NZ LYS A 36 8.696 10.674 8.385 1.00 1.92 N ATOM 0 H LYS A 36 9.049 8.966 3.038 1.00 0.30 H new ATOM 0 HA LYS A 36 6.672 8.090 4.329 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.074 7.961 5.179 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.037 9.692 5.445 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.174 9.466 7.043 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.021 7.757 6.685 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.297 7.878 8.729 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.452 7.470 7.475 1.00 0.49 H new ATOM 0 HE2 LYS A 36 10.194 9.333 9.077 1.00 1.22 H new ATOM 0 HE3 LYS A 36 10.309 9.727 7.373 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 9.185 11.400 8.947 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.427 11.073 7.463 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 7.842 10.362 8.890 1.00 1.92 H new ATOM 541 N MET A 37 6.824 11.275 3.875 1.00 0.23 N ATOM 542 CA MET A 37 6.083 12.550 4.104 1.00 0.24 C ATOM 543 C MET A 37 4.583 12.348 3.874 1.00 0.20 C ATOM 544 O MET A 37 3.776 13.167 4.269 1.00 0.20 O ATOM 545 CB MET A 37 6.604 13.631 3.148 1.00 0.29 C ATOM 546 CG MET A 37 5.725 14.884 3.242 1.00 1.31 C ATOM 547 SD MET A 37 6.626 16.304 2.558 1.00 2.12 S ATOM 548 CE MET A 37 6.552 17.387 4.008 1.00 3.13 C ATOM 0 H MET A 37 7.539 11.313 3.149 1.00 0.23 H new ATOM 0 HA MET A 37 6.243 12.864 5.136 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.635 13.881 3.397 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.605 13.254 2.125 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.795 14.731 2.695 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.456 15.076 4.281 1.00 1.31 H new ATOM 0 HE1 MET A 37 7.059 18.326 3.787 1.00 3.13 H new ATOM 0 HE2 MET A 37 5.511 17.587 4.260 1.00 3.13 H new ATOM 0 HE3 MET A 37 7.042 16.900 4.851 1.00 3.13 H new ATOM 558 N ILE A 38 4.200 11.281 3.220 1.00 0.18 N ATOM 559 CA ILE A 38 2.747 11.045 2.942 1.00 0.15 C ATOM 560 C ILE A 38 2.151 10.049 3.938 1.00 0.16 C ATOM 561 O ILE A 38 1.075 9.528 3.727 1.00 0.16 O ATOM 562 CB ILE A 38 2.592 10.497 1.517 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.286 11.463 0.539 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.093 10.359 1.157 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.302 10.870 -0.890 1.00 0.28 C ATOM 0 H ILE A 38 4.830 10.561 2.865 1.00 0.18 H new ATOM 0 HA ILE A 38 2.214 11.991 3.044 1.00 0.15 H new ATOM 0 HB ILE A 38 3.051 9.511 1.450 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.767 12.421 0.535 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.306 11.655 0.871 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.997 9.969 0.144 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.612 9.675 1.856 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.613 11.336 1.217 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.796 11.566 -1.567 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.842 9.923 -0.885 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.279 10.702 -1.226 1.00 0.28 H new ATOM 577 N LYS A 39 2.813 9.771 5.030 1.00 0.19 N ATOM 578 CA LYS A 39 2.214 8.800 5.985 1.00 0.22 C ATOM 579 C LYS A 39 0.933 9.330 6.650 1.00 0.20 C ATOM 580 O LYS A 39 0.078 8.540 6.973 1.00 0.21 O ATOM 581 CB LYS A 39 3.220 8.322 7.073 1.00 0.31 C ATOM 582 CG LYS A 39 3.393 9.337 8.234 1.00 0.34 C ATOM 583 CD LYS A 39 3.887 8.613 9.492 1.00 0.45 C ATOM 584 CE LYS A 39 5.148 7.813 9.179 1.00 1.16 C ATOM 585 NZ LYS A 39 4.774 6.478 8.632 1.00 1.62 N ATOM 0 H LYS A 39 3.717 10.162 5.296 1.00 0.19 H new ATOM 0 HA LYS A 39 1.945 7.938 5.374 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.880 7.369 7.479 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.190 8.143 6.608 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.104 10.112 7.948 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.445 9.834 8.439 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.093 9.337 10.280 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.109 7.948 9.867 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.763 8.352 8.459 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.747 7.692 10.082 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 5.340 5.741 9.099 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.764 6.302 8.806 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.957 6.458 7.608 1.00 1.62 H new ATOM 599 N PRO A 40 0.816 10.618 6.906 1.00 0.20 N ATOM 600 CA PRO A 40 -0.373 11.107 7.608 1.00 0.21 C ATOM 601 C PRO A 40 -1.628 10.920 6.748 1.00 0.17 C ATOM 602 O PRO A 40 -2.721 11.232 7.169 1.00 0.20 O ATOM 603 CB PRO A 40 -0.090 12.594 7.901 1.00 0.24 C ATOM 604 CG PRO A 40 1.330 12.912 7.345 1.00 0.25 C ATOM 605 CD PRO A 40 1.785 11.681 6.535 1.00 0.21 C ATOM 0 HA PRO A 40 -0.564 10.556 8.529 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.839 13.229 7.428 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.136 12.791 8.972 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.307 13.801 6.715 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.026 13.116 8.159 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.765 11.881 5.464 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.806 11.394 6.787 1.00 0.21 H new ATOM 613 N PHE A 41 -1.475 10.428 5.544 1.00 0.14 N ATOM 614 CA PHE A 41 -2.659 10.226 4.645 1.00 0.14 C ATOM 615 C PHE A 41 -2.880 8.736 4.400 1.00 0.11 C ATOM 616 O PHE A 41 -3.835 8.161 4.877 1.00 0.13 O ATOM 617 CB PHE A 41 -2.402 10.944 3.316 1.00 0.15 C ATOM 618 CG PHE A 41 -2.682 12.414 3.506 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.748 13.223 4.180 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.884 12.967 3.030 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.016 14.593 4.374 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.156 14.335 3.225 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.220 15.149 3.897 1.00 0.27 C ATOM 0 H PHE A 41 -0.578 10.156 5.141 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.552 10.636 5.116 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.371 10.793 2.997 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.041 10.534 2.534 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.827 12.795 4.548 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.599 12.343 2.515 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.299 15.216 4.888 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.080 14.760 2.861 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.426 16.199 4.046 1.00 0.27 H new ATOM 633 N PHE A 42 -2.012 8.110 3.660 1.00 0.10 N ATOM 634 CA PHE A 42 -2.179 6.657 3.372 1.00 0.11 C ATOM 635 C PHE A 42 -2.563 5.898 4.651 1.00 0.11 C ATOM 636 O PHE A 42 -3.511 5.139 4.670 1.00 0.12 O ATOM 637 CB PHE A 42 -0.865 6.112 2.812 1.00 0.13 C ATOM 638 CG PHE A 42 -0.990 4.633 2.563 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.699 4.176 1.440 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.391 3.710 3.443 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.812 2.799 1.195 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.505 2.328 3.198 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.216 1.872 2.073 1.00 0.10 C ATOM 0 H PHE A 42 -1.189 8.542 3.239 1.00 0.10 H new ATOM 0 HA PHE A 42 -2.977 6.520 2.642 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.614 6.626 1.884 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.053 6.304 3.513 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.157 4.884 0.765 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.155 4.062 4.305 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.357 2.449 0.331 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.047 1.619 3.873 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.305 0.813 1.883 1.00 0.10 H new ATOM 653 N HIS A 43 -1.841 6.099 5.718 1.00 0.14 N ATOM 654 CA HIS A 43 -2.172 5.392 6.992 1.00 0.16 C ATOM 655 C HIS A 43 -3.491 5.931 7.574 1.00 0.16 C ATOM 656 O HIS A 43 -4.256 5.198 8.171 1.00 0.18 O ATOM 657 CB HIS A 43 -1.002 5.574 7.988 1.00 0.21 C ATOM 658 CG HIS A 43 -1.486 5.510 9.416 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.431 4.349 10.170 1.00 0.35 N ATOM 660 CD2 HIS A 43 -2.065 6.458 10.222 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.969 4.623 11.372 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.373 5.895 11.458 1.00 0.39 N ATOM 0 H HIS A 43 -1.035 6.722 5.765 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.309 4.328 6.801 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.254 4.799 7.820 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.514 6.532 7.809 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.253 7.484 9.941 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -2.063 3.903 12.171 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.812 6.354 12.256 1.00 0.39 H new ATOM 670 N SER A 44 -3.759 7.200 7.428 1.00 0.20 N ATOM 671 CA SER A 44 -5.021 7.760 7.998 1.00 0.25 C ATOM 672 C SER A 44 -6.243 7.089 7.362 1.00 0.20 C ATOM 673 O SER A 44 -7.207 6.784 8.032 1.00 0.21 O ATOM 674 CB SER A 44 -5.082 9.262 7.741 1.00 0.34 C ATOM 675 OG SER A 44 -5.174 9.495 6.343 1.00 0.97 O ATOM 0 H SER A 44 -3.164 7.871 6.942 1.00 0.20 H new ATOM 0 HA SER A 44 -5.029 7.569 9.071 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.942 9.695 8.251 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.194 9.748 8.145 1.00 0.34 H new ATOM 0 HG SER A 44 -4.689 8.793 5.862 1.00 0.97 H new ATOM 681 N LEU A 45 -6.218 6.863 6.076 1.00 0.18 N ATOM 682 CA LEU A 45 -7.394 6.220 5.420 1.00 0.18 C ATOM 683 C LEU A 45 -7.776 4.953 6.189 1.00 0.16 C ATOM 684 O LEU A 45 -8.873 4.446 6.059 1.00 0.23 O ATOM 685 CB LEU A 45 -7.041 5.850 3.974 1.00 0.19 C ATOM 686 CG LEU A 45 -6.572 7.091 3.201 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.250 6.689 1.759 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.675 8.165 3.209 1.00 0.50 C ATOM 0 H LEU A 45 -5.442 7.093 5.456 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.233 6.916 5.421 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.257 5.092 3.967 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.910 5.414 3.481 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.681 7.501 3.677 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.916 7.565 1.203 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.461 5.937 1.759 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.143 6.279 1.288 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.333 9.042 2.658 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.573 7.767 2.737 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.900 8.448 4.237 1.00 0.50 H new ATOM 700 N SER A 46 -6.885 4.439 6.990 1.00 0.20 N ATOM 701 CA SER A 46 -7.204 3.208 7.766 1.00 0.25 C ATOM 702 C SER A 46 -8.438 3.451 8.641 1.00 0.17 C ATOM 703 O SER A 46 -9.187 2.541 8.938 1.00 0.15 O ATOM 704 CB SER A 46 -6.015 2.845 8.657 1.00 0.36 C ATOM 705 OG SER A 46 -4.902 2.508 7.841 1.00 0.51 O ATOM 0 H SER A 46 -5.950 4.818 7.141 1.00 0.20 H new ATOM 0 HA SER A 46 -7.407 2.391 7.074 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.764 3.683 9.307 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.273 2.007 9.304 1.00 0.36 H new ATOM 0 HG SER A 46 -4.347 3.303 7.700 1.00 0.51 H new ATOM 711 N GLU A 47 -8.648 4.669 9.068 1.00 0.21 N ATOM 712 CA GLU A 47 -9.827 4.970 9.939 1.00 0.21 C ATOM 713 C GLU A 47 -10.999 5.469 9.089 1.00 0.18 C ATOM 714 O GLU A 47 -12.143 5.385 9.489 1.00 0.18 O ATOM 715 CB GLU A 47 -9.439 6.051 10.955 1.00 0.32 C ATOM 716 CG GLU A 47 -8.022 5.786 11.463 1.00 0.39 C ATOM 717 CD GLU A 47 -7.733 6.682 12.669 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.459 6.581 13.644 1.00 1.98 O ATOM 719 OE2 GLU A 47 -6.791 7.453 12.596 1.00 2.00 O ATOM 0 H GLU A 47 -8.055 5.470 8.852 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.129 4.061 10.459 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.493 7.036 10.492 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.142 6.051 11.788 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.915 4.738 11.742 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.299 5.980 10.671 1.00 0.39 H new ATOM 726 N LYS A 48 -10.731 5.991 7.923 1.00 0.18 N ATOM 727 CA LYS A 48 -11.840 6.496 7.058 1.00 0.17 C ATOM 728 C LYS A 48 -12.325 5.372 6.142 1.00 0.15 C ATOM 729 O LYS A 48 -13.415 5.425 5.605 1.00 0.18 O ATOM 730 CB LYS A 48 -11.333 7.671 6.211 1.00 0.21 C ATOM 731 CG LYS A 48 -12.494 8.266 5.375 1.00 0.26 C ATOM 732 CD LYS A 48 -12.311 9.783 5.211 1.00 1.09 C ATOM 733 CE LYS A 48 -11.049 10.069 4.397 1.00 1.51 C ATOM 734 NZ LYS A 48 -10.854 11.543 4.291 1.00 2.16 N ATOM 0 H LYS A 48 -9.795 6.090 7.531 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.666 6.832 7.684 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.910 8.439 6.858 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.534 7.335 5.550 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.527 7.789 4.395 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -13.446 8.058 5.863 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -13.181 10.211 4.713 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -12.239 10.257 6.190 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -10.183 9.610 4.874 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -11.136 9.630 3.403 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -9.996 11.741 3.738 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.677 11.969 3.818 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -10.753 11.949 5.243 1.00 2.16 H new ATOM 748 N TYR A 49 -11.525 4.351 5.964 1.00 0.13 N ATOM 749 CA TYR A 49 -11.928 3.209 5.085 1.00 0.13 C ATOM 750 C TYR A 49 -11.569 1.890 5.771 1.00 0.11 C ATOM 751 O TYR A 49 -10.711 1.157 5.320 1.00 0.11 O ATOM 752 CB TYR A 49 -11.192 3.314 3.744 1.00 0.15 C ATOM 753 CG TYR A 49 -11.896 4.322 2.867 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.133 3.992 2.285 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.324 5.588 2.640 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.802 4.925 1.473 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.992 6.525 1.829 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.230 6.194 1.244 1.00 0.21 C ATOM 759 OH TYR A 49 -13.886 7.112 0.449 1.00 0.24 O ATOM 0 H TYR A 49 -10.604 4.258 6.392 1.00 0.13 H new ATOM 0 HA TYR A 49 -13.003 3.243 4.909 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.157 3.616 3.906 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.167 2.341 3.252 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.570 3.020 2.462 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.374 5.840 3.087 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.752 4.671 1.026 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.555 7.497 1.655 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.357 7.935 0.395 1.00 0.24 H new ATOM 769 N SER A 50 -12.226 1.580 6.852 1.00 0.12 N ATOM 770 CA SER A 50 -11.931 0.308 7.564 1.00 0.13 C ATOM 771 C SER A 50 -12.384 -0.871 6.699 1.00 0.13 C ATOM 772 O SER A 50 -12.188 -2.020 7.045 1.00 0.14 O ATOM 773 CB SER A 50 -12.684 0.285 8.893 1.00 0.16 C ATOM 774 OG SER A 50 -14.082 0.352 8.642 1.00 0.17 O ATOM 0 H SER A 50 -12.956 2.154 7.274 1.00 0.12 H new ATOM 0 HA SER A 50 -10.860 0.232 7.753 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.445 -0.625 9.444 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.374 1.125 9.515 1.00 0.16 H new ATOM 0 HG SER A 50 -14.568 0.336 9.493 1.00 0.17 H new ATOM 780 N ASN A 51 -12.997 -0.595 5.576 1.00 0.13 N ATOM 781 CA ASN A 51 -13.476 -1.693 4.683 1.00 0.15 C ATOM 782 C ASN A 51 -12.432 -1.977 3.604 1.00 0.13 C ATOM 783 O ASN A 51 -12.617 -2.832 2.761 1.00 0.14 O ATOM 784 CB ASN A 51 -14.782 -1.260 4.018 1.00 0.17 C ATOM 785 CG ASN A 51 -15.320 -2.406 3.158 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.069 -3.236 3.632 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.965 -2.487 1.905 1.00 0.32 N ATOM 0 H ASN A 51 -13.187 0.348 5.238 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.638 -2.595 5.272 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.515 -0.985 4.776 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.614 -0.377 3.402 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.317 -3.248 1.323 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.336 -1.790 1.507 1.00 0.32 H new ATOM 794 N VAL A 52 -11.331 -1.269 3.629 1.00 0.11 N ATOM 795 CA VAL A 52 -10.251 -1.484 2.614 1.00 0.10 C ATOM 796 C VAL A 52 -8.986 -1.945 3.333 1.00 0.10 C ATOM 797 O VAL A 52 -8.760 -1.617 4.481 1.00 0.11 O ATOM 798 CB VAL A 52 -9.971 -0.166 1.893 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.751 -0.324 0.979 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.195 0.225 1.059 1.00 0.12 C ATOM 0 H VAL A 52 -11.131 -0.543 4.317 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.562 -2.237 1.890 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.767 0.613 2.627 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.555 0.618 0.467 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.882 -0.600 1.576 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.947 -1.103 0.242 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.999 1.165 0.543 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.400 -0.555 0.326 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -12.058 0.344 1.714 1.00 0.12 H new ATOM 810 N ILE A 53 -8.164 -2.714 2.671 1.00 0.09 N ATOM 811 CA ILE A 53 -6.910 -3.214 3.312 1.00 0.09 C ATOM 812 C ILE A 53 -5.724 -2.358 2.848 1.00 0.09 C ATOM 813 O ILE A 53 -5.541 -2.125 1.670 1.00 0.14 O ATOM 814 CB ILE A 53 -6.679 -4.669 2.893 1.00 0.09 C ATOM 815 CG1 ILE A 53 -8.009 -5.454 2.915 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.651 -5.323 3.823 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.736 -5.309 4.262 1.00 0.17 C ATOM 0 H ILE A 53 -8.307 -3.020 1.708 1.00 0.09 H new ATOM 0 HA ILE A 53 -7.001 -3.152 4.396 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.291 -4.686 1.875 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.655 -5.097 2.113 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.812 -6.508 2.720 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.492 -6.358 3.519 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.709 -4.778 3.764 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -6.021 -5.299 4.848 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.667 -5.876 4.236 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.101 -5.691 5.061 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.957 -4.257 4.445 1.00 0.17 H new ATOM 829 N PHE A 54 -4.917 -1.894 3.772 1.00 0.08 N ATOM 830 CA PHE A 54 -3.729 -1.052 3.411 1.00 0.08 C ATOM 831 C PHE A 54 -2.452 -1.768 3.852 1.00 0.08 C ATOM 832 O PHE A 54 -2.338 -2.215 4.976 1.00 0.11 O ATOM 833 CB PHE A 54 -3.831 0.294 4.130 1.00 0.08 C ATOM 834 CG PHE A 54 -5.117 0.973 3.725 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.252 1.492 2.425 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.182 1.081 4.641 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.449 2.123 2.037 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.381 1.711 4.253 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.514 2.231 2.951 1.00 0.09 C ATOM 0 H PHE A 54 -5.031 -2.064 4.771 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.704 -0.891 2.333 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.807 0.146 5.210 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.977 0.922 3.875 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.436 1.406 1.723 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.079 0.681 5.639 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.550 2.524 1.039 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.198 1.795 4.954 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.434 2.713 2.654 1.00 0.09 H new ATOM 849 N LEU A 55 -1.493 -1.885 2.968 1.00 0.08 N ATOM 850 CA LEU A 55 -0.208 -2.579 3.307 1.00 0.09 C ATOM 851 C LEU A 55 0.934 -1.553 3.288 1.00 0.09 C ATOM 852 O LEU A 55 0.762 -0.425 2.869 1.00 0.10 O ATOM 853 CB LEU A 55 0.079 -3.667 2.255 1.00 0.10 C ATOM 854 CG LEU A 55 -0.710 -4.953 2.551 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.199 -4.640 2.762 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.546 -5.912 1.362 1.00 0.12 C ATOM 0 H LEU A 55 -1.544 -1.526 2.015 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.286 -3.034 4.294 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.184 -3.296 1.264 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.146 -3.888 2.239 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.326 -5.410 3.463 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.739 -5.564 2.970 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.311 -3.956 3.604 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.605 -4.177 1.862 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.100 -6.830 1.556 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.931 -5.440 0.458 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.510 -6.147 1.227 1.00 0.12 H new ATOM 868 N GLU A 56 2.101 -1.945 3.726 1.00 0.09 N ATOM 869 CA GLU A 56 3.271 -1.014 3.727 1.00 0.09 C ATOM 870 C GLU A 56 4.521 -1.825 3.383 1.00 0.09 C ATOM 871 O GLU A 56 4.626 -2.984 3.732 1.00 0.10 O ATOM 872 CB GLU A 56 3.420 -0.373 5.113 1.00 0.09 C ATOM 873 CG GLU A 56 4.387 0.818 5.041 1.00 0.11 C ATOM 874 CD GLU A 56 4.242 1.674 6.302 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.159 2.194 6.520 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.215 1.799 7.026 1.00 1.31 O ATOM 0 H GLU A 56 2.297 -2.879 4.087 1.00 0.09 H new ATOM 0 HA GLU A 56 3.128 -0.219 2.995 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.447 -0.040 5.475 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.791 -1.110 5.825 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.413 0.461 4.947 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.176 1.418 4.156 1.00 0.11 H new ATOM 883 N VAL A 57 5.460 -1.245 2.677 1.00 0.08 N ATOM 884 CA VAL A 57 6.683 -2.017 2.288 1.00 0.08 C ATOM 885 C VAL A 57 7.927 -1.121 2.298 1.00 0.09 C ATOM 886 O VAL A 57 7.895 0.016 1.864 1.00 0.14 O ATOM 887 CB VAL A 57 6.475 -2.570 0.878 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.648 -3.471 0.504 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.178 -3.380 0.834 1.00 0.09 C ATOM 0 H VAL A 57 5.434 -0.278 2.355 1.00 0.08 H new ATOM 0 HA VAL A 57 6.837 -2.824 3.005 1.00 0.08 H new ATOM 0 HB VAL A 57 6.413 -1.743 0.171 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.498 -3.865 -0.501 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.573 -2.895 0.534 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.712 -4.298 1.211 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.029 -3.774 -0.171 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.241 -4.206 1.542 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.339 -2.737 1.099 1.00 0.09 H new ATOM 899 N ASP A 58 9.033 -1.647 2.771 1.00 0.09 N ATOM 900 CA ASP A 58 10.310 -0.866 2.799 1.00 0.09 C ATOM 901 C ASP A 58 11.172 -1.310 1.610 1.00 0.10 C ATOM 902 O ASP A 58 11.643 -2.428 1.557 1.00 0.11 O ATOM 903 CB ASP A 58 11.053 -1.145 4.112 1.00 0.11 C ATOM 904 CG ASP A 58 12.086 -0.044 4.367 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.680 1.056 4.704 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.265 -0.321 4.223 1.00 1.06 O ATOM 0 H ASP A 58 9.105 -2.594 3.142 1.00 0.09 H new ATOM 0 HA ASP A 58 10.102 0.202 2.732 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.344 -1.190 4.939 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.547 -2.115 4.062 1.00 0.11 H new ATOM 911 N VAL A 59 11.361 -0.452 0.648 1.00 0.12 N ATOM 912 CA VAL A 59 12.166 -0.831 -0.551 1.00 0.15 C ATOM 913 C VAL A 59 13.642 -1.030 -0.187 1.00 0.18 C ATOM 914 O VAL A 59 14.417 -1.500 -0.993 1.00 0.27 O ATOM 915 CB VAL A 59 12.056 0.276 -1.598 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.588 0.456 -1.994 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.597 1.584 -1.013 1.00 0.22 C ATOM 0 H VAL A 59 10.992 0.499 0.638 1.00 0.12 H new ATOM 0 HA VAL A 59 11.777 -1.770 -0.944 1.00 0.15 H new ATOM 0 HB VAL A 59 12.638 0.007 -2.480 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.507 1.246 -2.741 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.206 -0.477 -2.409 1.00 0.19 H new ATOM 0 HG13 VAL A 59 10.005 0.728 -1.114 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.520 2.375 -1.758 1.00 0.22 H new ATOM 0 HG22 VAL A 59 12.015 1.857 -0.132 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.642 1.452 -0.731 1.00 0.22 H new ATOM 927 N ASP A 60 14.046 -0.664 1.003 1.00 0.16 N ATOM 928 CA ASP A 60 15.489 -0.817 1.386 1.00 0.18 C ATOM 929 C ASP A 60 15.702 -2.074 2.232 1.00 0.17 C ATOM 930 O ASP A 60 16.655 -2.803 2.041 1.00 0.18 O ATOM 931 CB ASP A 60 15.922 0.405 2.194 1.00 0.21 C ATOM 932 CG ASP A 60 15.684 1.670 1.367 1.00 0.24 C ATOM 933 OD1 ASP A 60 15.901 1.619 0.168 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.290 2.666 1.948 1.00 1.11 O ATOM 0 H ASP A 60 13.445 -0.267 1.725 1.00 0.16 H new ATOM 0 HA ASP A 60 16.082 -0.905 0.476 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.360 0.456 3.127 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.976 0.324 2.460 1.00 0.21 H new ATOM 939 N ASP A 61 14.836 -2.333 3.175 1.00 0.17 N ATOM 940 CA ASP A 61 15.009 -3.542 4.039 1.00 0.17 C ATOM 941 C ASP A 61 14.214 -4.712 3.444 1.00 0.16 C ATOM 942 O ASP A 61 14.423 -5.855 3.803 1.00 0.18 O ATOM 943 CB ASP A 61 14.521 -3.209 5.457 1.00 0.19 C ATOM 944 CG ASP A 61 14.234 -4.493 6.246 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.151 -4.995 6.876 1.00 1.07 O ATOM 946 OD2 ASP A 61 13.105 -4.952 6.205 1.00 1.12 O ATOM 0 H ASP A 61 14.017 -1.762 3.386 1.00 0.17 H new ATOM 0 HA ASP A 61 16.059 -3.832 4.086 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.274 -2.617 5.977 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.619 -2.600 5.403 1.00 0.19 H new ATOM 951 N ALA A 62 13.320 -4.436 2.526 1.00 0.16 N ATOM 952 CA ALA A 62 12.515 -5.527 1.880 1.00 0.16 C ATOM 953 C ALA A 62 12.763 -5.488 0.370 1.00 0.16 C ATOM 954 O ALA A 62 11.846 -5.544 -0.426 1.00 0.15 O ATOM 955 CB ALA A 62 11.024 -5.310 2.165 1.00 0.17 C ATOM 0 H ALA A 62 13.110 -3.495 2.192 1.00 0.16 H new ATOM 0 HA ALA A 62 12.812 -6.496 2.282 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.444 -6.104 1.694 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.853 -5.325 3.241 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.713 -4.346 1.762 1.00 0.17 H new ATOM 961 N GLN A 63 14.003 -5.384 -0.026 1.00 0.20 N ATOM 962 CA GLN A 63 14.327 -5.333 -1.480 1.00 0.22 C ATOM 963 C GLN A 63 13.730 -6.549 -2.191 1.00 0.20 C ATOM 964 O GLN A 63 13.651 -6.593 -3.401 1.00 0.20 O ATOM 965 CB GLN A 63 15.848 -5.337 -1.659 1.00 0.29 C ATOM 966 CG GLN A 63 16.446 -4.107 -0.974 1.00 0.90 C ATOM 967 CD GLN A 63 17.961 -4.085 -1.196 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.620 -5.096 -1.061 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.543 -2.966 -1.530 1.00 2.22 N ATOM 0 H GLN A 63 14.808 -5.332 0.598 1.00 0.20 H new ATOM 0 HA GLN A 63 13.906 -4.424 -1.910 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.273 -6.246 -1.233 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.100 -5.334 -2.719 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.996 -3.199 -1.375 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.224 -4.128 0.093 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.989 -2.117 -1.643 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.552 -2.940 -1.678 1.00 2.22 H new ATOM 978 N ASP A 64 13.310 -7.537 -1.450 1.00 0.19 N ATOM 979 CA ASP A 64 12.723 -8.745 -2.091 1.00 0.20 C ATOM 980 C ASP A 64 11.360 -8.393 -2.684 1.00 0.17 C ATOM 981 O ASP A 64 11.019 -8.809 -3.773 1.00 0.19 O ATOM 982 CB ASP A 64 12.554 -9.844 -1.037 1.00 0.22 C ATOM 983 CG ASP A 64 11.950 -9.248 0.236 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.615 -8.440 0.864 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.833 -9.612 0.565 1.00 1.09 O ATOM 0 H ASP A 64 13.348 -7.559 -0.431 1.00 0.19 H new ATOM 0 HA ASP A 64 13.383 -9.097 -2.884 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.909 -10.634 -1.422 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.519 -10.300 -0.815 1.00 0.22 H new ATOM 990 N VAL A 65 10.583 -7.621 -1.981 1.00 0.15 N ATOM 991 CA VAL A 65 9.248 -7.235 -2.508 1.00 0.16 C ATOM 992 C VAL A 65 9.435 -6.200 -3.619 1.00 0.16 C ATOM 993 O VAL A 65 8.850 -6.297 -4.679 1.00 0.19 O ATOM 994 CB VAL A 65 8.418 -6.633 -1.376 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.960 -6.506 -1.821 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.501 -7.541 -0.144 1.00 0.18 C ATOM 0 H VAL A 65 10.815 -7.240 -1.064 1.00 0.15 H new ATOM 0 HA VAL A 65 8.734 -8.109 -2.906 1.00 0.16 H new ATOM 0 HB VAL A 65 8.807 -5.646 -1.127 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.369 -6.076 -1.012 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.902 -5.859 -2.696 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.569 -7.492 -2.072 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.909 -7.112 0.665 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.113 -8.529 -0.393 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.540 -7.629 0.174 1.00 0.18 H new ATOM 1006 N ALA A 66 10.255 -5.211 -3.384 1.00 0.16 N ATOM 1007 CA ALA A 66 10.493 -4.173 -4.425 1.00 0.18 C ATOM 1008 C ALA A 66 11.144 -4.822 -5.647 1.00 0.19 C ATOM 1009 O ALA A 66 10.916 -4.420 -6.771 1.00 0.20 O ATOM 1010 CB ALA A 66 11.427 -3.097 -3.865 1.00 0.22 C ATOM 0 H ALA A 66 10.771 -5.078 -2.514 1.00 0.16 H new ATOM 0 HA ALA A 66 9.544 -3.720 -4.713 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.603 -2.336 -4.625 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.968 -2.637 -2.990 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.376 -3.551 -3.580 1.00 0.22 H new ATOM 1016 N SER A 67 11.955 -5.821 -5.435 1.00 0.21 N ATOM 1017 CA SER A 67 12.623 -6.496 -6.582 1.00 0.26 C ATOM 1018 C SER A 67 11.569 -7.161 -7.469 1.00 0.26 C ATOM 1019 O SER A 67 11.525 -6.950 -8.665 1.00 0.29 O ATOM 1020 CB SER A 67 13.591 -7.556 -6.059 1.00 0.31 C ATOM 1021 OG SER A 67 14.725 -6.916 -5.489 1.00 1.29 O ATOM 0 H SER A 67 12.184 -6.199 -4.516 1.00 0.21 H new ATOM 0 HA SER A 67 13.174 -5.758 -7.164 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.098 -8.179 -5.313 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.900 -8.215 -6.871 1.00 0.31 H new ATOM 0 HG SER A 67 14.679 -6.977 -4.512 1.00 1.29 H new ATOM 1027 N GLU A 68 10.720 -7.964 -6.891 1.00 0.26 N ATOM 1028 CA GLU A 68 9.669 -8.649 -7.695 1.00 0.30 C ATOM 1029 C GLU A 68 8.715 -7.609 -8.295 1.00 0.31 C ATOM 1030 O GLU A 68 8.168 -7.802 -9.362 1.00 0.36 O ATOM 1031 CB GLU A 68 8.883 -9.601 -6.790 1.00 0.31 C ATOM 1032 CG GLU A 68 8.070 -10.574 -7.648 1.00 0.39 C ATOM 1033 CD GLU A 68 9.005 -11.613 -8.274 1.00 1.43 C ATOM 1034 OE1 GLU A 68 10.018 -11.913 -7.666 1.00 2.19 O ATOM 1035 OE2 GLU A 68 8.688 -12.091 -9.351 1.00 2.20 O ATOM 0 H GLU A 68 10.708 -8.176 -5.893 1.00 0.26 H new ATOM 0 HA GLU A 68 10.138 -9.212 -8.502 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.567 -10.153 -6.145 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.219 -9.033 -6.138 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.316 -11.070 -7.037 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.540 -10.030 -8.429 1.00 0.39 H new ATOM 1042 N ALA A 69 8.505 -6.513 -7.614 1.00 0.29 N ATOM 1043 CA ALA A 69 7.577 -5.465 -8.144 1.00 0.31 C ATOM 1044 C ALA A 69 8.345 -4.487 -9.042 1.00 0.29 C ATOM 1045 O ALA A 69 7.779 -3.563 -9.592 1.00 0.33 O ATOM 1046 CB ALA A 69 6.953 -4.706 -6.969 1.00 0.31 C ATOM 0 H ALA A 69 8.934 -6.296 -6.715 1.00 0.29 H new ATOM 0 HA ALA A 69 6.793 -5.941 -8.733 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.276 -3.941 -7.349 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.398 -5.402 -6.340 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.740 -4.234 -6.381 1.00 0.31 H new ATOM 1052 N GLU A 70 9.625 -4.684 -9.200 1.00 0.27 N ATOM 1053 CA GLU A 70 10.423 -3.768 -10.068 1.00 0.29 C ATOM 1054 C GLU A 70 10.095 -2.307 -9.735 1.00 0.25 C ATOM 1055 O GLU A 70 9.781 -1.520 -10.607 1.00 0.26 O ATOM 1056 CB GLU A 70 10.084 -4.039 -11.536 1.00 0.38 C ATOM 1057 CG GLU A 70 10.510 -5.460 -11.908 1.00 1.18 C ATOM 1058 CD GLU A 70 12.031 -5.517 -12.057 1.00 1.61 C ATOM 1059 OE1 GLU A 70 12.552 -4.802 -12.896 1.00 2.34 O ATOM 1060 OE2 GLU A 70 12.649 -6.277 -11.329 1.00 2.06 O ATOM 0 H GLU A 70 10.155 -5.440 -8.766 1.00 0.27 H new ATOM 0 HA GLU A 70 11.484 -3.945 -9.892 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.014 -3.914 -11.701 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.592 -3.317 -12.176 1.00 0.38 H new ATOM 0 HG2 GLU A 70 10.183 -6.161 -11.140 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.032 -5.762 -12.840 1.00 1.18 H new ATOM 1067 N VAL A 71 10.173 -1.936 -8.486 1.00 0.22 N ATOM 1068 CA VAL A 71 9.874 -0.524 -8.104 1.00 0.19 C ATOM 1069 C VAL A 71 11.102 0.348 -8.381 1.00 0.23 C ATOM 1070 O VAL A 71 12.209 0.003 -8.016 1.00 0.28 O ATOM 1071 CB VAL A 71 9.523 -0.457 -6.617 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.942 0.919 -6.303 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.482 -1.529 -6.288 1.00 0.19 C ATOM 0 H VAL A 71 10.431 -2.549 -7.713 1.00 0.22 H new ATOM 0 HA VAL A 71 9.029 -0.161 -8.689 1.00 0.19 H new ATOM 0 HB VAL A 71 10.420 -0.627 -6.022 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.689 0.974 -5.244 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.677 1.687 -6.541 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.044 1.079 -6.899 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.232 -1.481 -5.228 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.583 -1.358 -6.881 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.888 -2.514 -6.521 1.00 0.19 H new ATOM 1083 N LYS A 72 10.915 1.476 -9.027 1.00 0.24 N ATOM 1084 CA LYS A 72 12.069 2.384 -9.340 1.00 0.29 C ATOM 1085 C LYS A 72 11.743 3.813 -8.889 1.00 0.26 C ATOM 1086 O LYS A 72 12.519 4.725 -9.085 1.00 0.27 O ATOM 1087 CB LYS A 72 12.321 2.381 -10.851 1.00 0.35 C ATOM 1088 CG LYS A 72 12.675 0.963 -11.310 1.00 0.43 C ATOM 1089 CD LYS A 72 12.608 0.890 -12.838 1.00 1.16 C ATOM 1090 CE LYS A 72 12.809 -0.558 -13.290 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.125 -1.055 -12.798 1.00 2.40 N ATOM 0 H LYS A 72 10.008 1.809 -9.353 1.00 0.24 H new ATOM 0 HA LYS A 72 12.956 2.031 -8.814 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.435 2.734 -11.378 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.132 3.067 -11.096 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.674 0.697 -10.966 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.984 0.244 -10.870 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.645 1.261 -13.188 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.374 1.529 -13.277 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.005 -1.185 -12.905 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.769 -0.619 -14.378 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.386 -1.918 -13.316 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 14.851 -0.326 -12.952 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.058 -1.268 -11.782 1.00 2.40 H new ATOM 1105 N ALA A 73 10.601 4.014 -8.286 1.00 0.22 N ATOM 1106 CA ALA A 73 10.227 5.389 -7.822 1.00 0.20 C ATOM 1107 C ALA A 73 9.283 5.276 -6.622 1.00 0.18 C ATOM 1108 O ALA A 73 8.306 4.567 -6.671 1.00 0.16 O ATOM 1109 CB ALA A 73 9.526 6.136 -8.970 1.00 0.21 C ATOM 0 H ALA A 73 9.910 3.289 -8.093 1.00 0.22 H new ATOM 0 HA ALA A 73 11.121 5.939 -7.527 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.251 7.137 -8.638 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.201 6.209 -9.823 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.628 5.592 -9.263 1.00 0.21 H new ATOM 1115 N THR A 74 9.568 5.978 -5.546 1.00 0.18 N ATOM 1116 CA THR A 74 8.681 5.916 -4.333 1.00 0.17 C ATOM 1117 C THR A 74 8.034 7.298 -4.118 1.00 0.17 C ATOM 1118 O THR A 74 8.643 8.297 -4.448 1.00 0.19 O ATOM 1119 CB THR A 74 9.532 5.576 -3.092 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.604 6.500 -2.999 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.109 4.149 -3.186 1.00 0.19 C ATOM 0 H THR A 74 10.377 6.592 -5.455 1.00 0.18 H new ATOM 0 HA THR A 74 7.915 5.154 -4.479 1.00 0.17 H new ATOM 0 HB THR A 74 8.894 5.635 -2.210 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.148 6.291 -2.211 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.704 3.938 -2.297 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.293 3.430 -3.255 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.739 4.069 -4.072 1.00 0.19 H new ATOM 1129 N PRO A 75 6.840 7.347 -3.548 1.00 0.17 N ATOM 1130 CA PRO A 75 6.050 6.165 -3.124 1.00 0.16 C ATOM 1131 C PRO A 75 5.381 5.515 -4.344 1.00 0.14 C ATOM 1132 O PRO A 75 4.941 6.196 -5.250 1.00 0.14 O ATOM 1133 CB PRO A 75 4.977 6.744 -2.170 1.00 0.17 C ATOM 1134 CG PRO A 75 5.008 8.293 -2.330 1.00 0.20 C ATOM 1135 CD PRO A 75 6.199 8.641 -3.250 1.00 0.19 C ATOM 0 HA PRO A 75 6.662 5.398 -2.648 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.991 6.351 -2.416 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.185 6.459 -1.139 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.073 8.653 -2.760 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.119 8.777 -1.359 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.863 9.134 -4.162 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.893 9.321 -2.757 1.00 0.19 H new ATOM 1143 N THR A 76 5.283 4.205 -4.361 1.00 0.13 N ATOM 1144 CA THR A 76 4.617 3.508 -5.510 1.00 0.12 C ATOM 1145 C THR A 76 3.345 2.856 -4.988 1.00 0.12 C ATOM 1146 O THR A 76 3.393 1.905 -4.233 1.00 0.18 O ATOM 1147 CB THR A 76 5.535 2.415 -6.086 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.874 2.873 -6.063 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.131 2.107 -7.531 1.00 0.13 C ATOM 0 H THR A 76 5.635 3.589 -3.629 1.00 0.13 H new ATOM 0 HA THR A 76 4.398 4.230 -6.297 1.00 0.12 H new ATOM 0 HB THR A 76 5.442 1.510 -5.485 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.933 3.736 -6.524 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.784 1.333 -7.934 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.098 1.759 -7.554 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.223 3.010 -8.135 1.00 0.13 H new ATOM 1157 N PHE A 77 2.205 3.346 -5.378 1.00 0.09 N ATOM 1158 CA PHE A 77 0.944 2.728 -4.890 1.00 0.09 C ATOM 1159 C PHE A 77 0.555 1.600 -5.828 1.00 0.09 C ATOM 1160 O PHE A 77 0.291 1.805 -6.997 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.169 3.767 -4.836 1.00 0.10 C ATOM 1162 CG PHE A 77 0.142 4.748 -3.739 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.101 4.394 -2.399 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.676 6.013 -4.052 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.186 5.308 -1.369 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.965 6.927 -3.022 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.719 6.578 -1.680 1.00 0.12 C ATOM 0 H PHE A 77 2.091 4.140 -6.008 1.00 0.09 H new ATOM 0 HA PHE A 77 1.097 2.337 -3.884 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.251 4.283 -5.793 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.128 3.284 -4.651 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.507 3.422 -2.162 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.863 6.281 -5.081 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.001 5.038 -0.340 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.376 7.897 -3.261 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.938 7.281 -0.890 1.00 0.12 H new ATOM 1177 N GLN A 78 0.526 0.405 -5.314 1.00 0.07 N ATOM 1178 CA GLN A 78 0.164 -0.781 -6.134 1.00 0.07 C ATOM 1179 C GLN A 78 -1.120 -1.366 -5.562 1.00 0.06 C ATOM 1180 O GLN A 78 -1.277 -1.478 -4.363 1.00 0.07 O ATOM 1181 CB GLN A 78 1.304 -1.801 -6.041 1.00 0.08 C ATOM 1182 CG GLN A 78 2.644 -1.072 -6.151 1.00 0.12 C ATOM 1183 CD GLN A 78 3.757 -2.084 -6.429 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.843 -1.717 -6.831 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.532 -3.355 -6.230 1.00 1.03 N ATOM 0 H GLN A 78 0.743 0.196 -4.339 1.00 0.07 H new ATOM 0 HA GLN A 78 0.012 -0.514 -7.180 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.247 -2.342 -5.096 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.212 -2.540 -6.837 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.603 -0.333 -6.951 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.852 -0.531 -5.228 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.621 -3.665 -5.892 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.268 -4.038 -6.412 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.052 -1.709 -6.409 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.355 -2.256 -5.924 1.00 0.07 C ATOM 1196 C PHE A 79 -3.443 -3.744 -6.231 1.00 0.07 C ATOM 1197 O PHE A 79 -3.287 -4.171 -7.358 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.498 -1.520 -6.626 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.497 -0.075 -6.182 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.469 0.780 -6.605 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.509 0.411 -5.340 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.446 2.126 -6.192 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.492 1.754 -4.918 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.461 2.612 -5.344 1.00 0.11 C ATOM 0 H PHE A 79 -1.968 -1.634 -7.423 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.429 -2.113 -4.846 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.378 -1.582 -7.708 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.452 -1.988 -6.384 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.690 0.404 -7.252 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.302 -0.246 -5.015 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.655 2.782 -6.523 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.270 2.126 -4.268 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.448 3.643 -5.021 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.706 -4.533 -5.223 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.829 -6.007 -5.410 1.00 0.08 C ATOM 1216 C PHE A 80 -5.220 -6.428 -4.952 1.00 0.11 C ATOM 1217 O PHE A 80 -5.857 -5.757 -4.163 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.778 -6.726 -4.557 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.418 -6.590 -5.198 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.013 -7.497 -6.196 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.550 -5.559 -4.791 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.260 -7.372 -6.787 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.722 -5.433 -5.382 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.127 -6.338 -6.379 1.00 0.14 C ATOM 0 H PHE A 80 -3.843 -4.213 -4.264 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.675 -6.266 -6.457 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.761 -6.303 -3.553 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.038 -7.780 -4.455 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.678 -8.288 -6.508 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.860 -4.864 -4.025 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.571 -8.068 -7.552 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.387 -4.641 -5.069 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.102 -6.241 -6.832 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.699 -7.527 -5.444 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.049 -7.996 -5.046 1.00 0.14 C ATOM 1236 C LYS A 81 -7.086 -9.507 -5.255 1.00 0.14 C ATOM 1237 O LYS A 81 -6.809 -9.990 -6.332 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.099 -7.295 -5.925 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.472 -7.306 -5.240 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.422 -6.372 -5.998 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.727 -6.208 -5.214 1.00 0.72 C ATOM 1242 NZ LYS A 81 -11.425 -5.790 -3.816 1.00 1.48 N ATOM 0 H LYS A 81 -5.211 -8.126 -6.110 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.266 -7.763 -4.004 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.791 -6.267 -6.118 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.165 -7.795 -6.891 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.875 -8.319 -5.223 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.377 -6.984 -4.203 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -9.951 -5.400 -6.144 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.631 -6.777 -6.988 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.361 -5.465 -5.697 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.281 -7.147 -5.211 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -12.128 -5.090 -3.503 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -11.460 -6.620 -3.190 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -10.476 -5.367 -3.777 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.388 -10.252 -4.226 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.412 -11.738 -4.349 1.00 0.20 C ATOM 1258 C LYS A 82 -6.039 -12.239 -4.809 1.00 0.20 C ATOM 1259 O LYS A 82 -5.909 -13.338 -5.311 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.472 -12.176 -5.369 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.872 -12.004 -4.782 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.905 -12.207 -5.892 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.313 -11.990 -5.335 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.315 -12.476 -6.325 1.00 1.67 N ATOM 0 H LYS A 82 -7.620 -9.893 -3.300 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.657 -12.162 -3.375 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.377 -11.585 -6.280 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.312 -13.218 -5.647 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -10.035 -12.724 -3.980 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -9.978 -11.011 -4.346 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.716 -11.511 -6.709 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.818 -13.213 -6.303 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.429 -12.523 -4.391 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.475 -10.933 -5.126 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.274 -12.330 -5.949 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.208 -11.949 -7.215 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.164 -13.489 -6.503 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.015 -11.448 -4.640 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.652 -11.887 -5.067 1.00 0.21 C ATOM 1280 C GLY A 83 -3.407 -11.475 -6.519 1.00 0.19 C ATOM 1281 O GLY A 83 -2.379 -11.779 -7.092 1.00 0.22 O ATOM 0 H GLY A 83 -5.061 -10.517 -4.225 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.897 -11.441 -4.420 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.560 -12.968 -4.966 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.348 -10.787 -7.120 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.186 -10.347 -8.547 1.00 0.17 C ATOM 1287 C GLN A 84 -4.026 -8.823 -8.603 1.00 0.16 C ATOM 1288 O GLN A 84 -4.559 -8.101 -7.785 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.429 -10.747 -9.344 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.702 -12.243 -9.162 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.066 -12.590 -9.762 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.145 -13.217 -10.800 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.152 -12.208 -9.147 1.00 2.08 N ATOM 0 H GLN A 84 -5.227 -10.509 -6.683 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.302 -10.823 -8.972 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.289 -10.167 -9.009 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.284 -10.520 -10.400 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.920 -12.828 -9.647 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.682 -12.501 -8.103 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.086 -11.682 -8.276 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.066 -12.436 -9.538 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.293 -8.329 -9.569 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.092 -6.852 -9.688 1.00 0.17 C ATOM 1304 C LYS A 85 -4.238 -6.243 -10.498 1.00 0.16 C ATOM 1305 O LYS A 85 -4.743 -6.849 -11.422 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.768 -6.573 -10.403 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.551 -5.060 -10.501 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.086 -4.769 -10.845 1.00 0.30 C ATOM 1309 CE LYS A 85 0.299 -5.508 -12.130 1.00 0.89 C ATOM 1310 NZ LYS A 85 -0.786 -5.351 -13.141 1.00 1.70 N ATOM 0 H LYS A 85 -2.824 -8.887 -10.283 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.072 -6.410 -8.692 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.944 -7.035 -9.859 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.780 -7.015 -11.399 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.205 -4.638 -11.264 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.814 -4.583 -9.557 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.062 -3.697 -10.973 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.560 -5.084 -10.025 1.00 0.30 H new ATOM 0 HE2 LYS A 85 1.236 -5.112 -12.522 1.00 0.89 H new ATOM 0 HE3 LYS A 85 0.463 -6.565 -11.919 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 -0.373 -5.341 -14.095 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 -1.453 -6.145 -13.061 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 -1.291 -4.457 -12.973 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.656 -5.046 -10.153 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.777 -4.382 -10.896 1.00 0.16 C ATOM 1326 C VAL A 86 -5.377 -2.957 -11.296 1.00 0.18 C ATOM 1327 O VAL A 86 -6.036 -2.328 -12.101 1.00 0.26 O ATOM 1328 CB VAL A 86 -7.013 -4.330 -9.996 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.615 -5.731 -9.879 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.612 -3.834 -8.605 1.00 0.17 C ATOM 0 H VAL A 86 -4.267 -4.498 -9.385 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.997 -4.953 -11.798 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.748 -3.650 -10.427 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.496 -5.696 -9.238 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.900 -6.088 -10.869 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.879 -6.409 -9.447 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.493 -3.797 -7.964 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.878 -4.514 -8.174 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.179 -2.837 -8.685 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.308 -2.435 -10.752 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.896 -1.047 -11.128 1.00 0.18 C ATOM 1342 C GLY A 87 -2.716 -0.581 -10.268 1.00 0.10 C ATOM 1343 O GLY A 87 -2.298 -1.255 -9.348 1.00 0.08 O ATOM 0 H GLY A 87 -3.708 -2.902 -10.072 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.619 -1.017 -12.182 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.737 -0.365 -11.001 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.178 0.576 -10.566 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.029 1.099 -9.771 1.00 0.10 C ATOM 1349 C GLU A 88 -0.685 2.521 -10.212 1.00 0.10 C ATOM 1350 O GLU A 88 -0.973 2.928 -11.321 1.00 0.11 O ATOM 1351 CB GLU A 88 0.193 0.202 -9.977 1.00 0.17 C ATOM 1352 CG GLU A 88 0.469 0.040 -11.473 1.00 0.25 C ATOM 1353 CD GLU A 88 1.577 -0.996 -11.675 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.069 -1.507 -10.684 1.00 1.94 O ATOM 1355 OE2 GLU A 88 1.912 -1.259 -12.818 1.00 2.04 O ATOM 0 H GLU A 88 -2.487 1.180 -11.327 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.309 1.106 -8.717 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.062 0.636 -9.482 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.021 -0.773 -9.522 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.438 -0.275 -11.989 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.766 0.996 -11.905 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.055 3.273 -9.351 1.00 0.09 N ATOM 1363 CA PHE A 89 0.330 4.664 -9.716 1.00 0.09 C ATOM 1364 C PHE A 89 1.287 5.233 -8.663 1.00 0.09 C ATOM 1365 O PHE A 89 1.038 5.165 -7.481 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.921 5.553 -9.866 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.469 5.992 -8.520 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.800 6.978 -7.761 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.668 5.430 -8.034 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.326 7.393 -6.526 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.192 5.850 -6.796 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.523 6.830 -6.043 1.00 0.11 C ATOM 0 H PHE A 89 0.210 2.983 -8.410 1.00 0.09 H new ATOM 0 HA PHE A 89 0.843 4.648 -10.678 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.672 6.432 -10.461 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.691 5.007 -10.411 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.117 7.413 -8.130 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.184 4.677 -8.611 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.811 8.145 -5.946 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.110 5.418 -6.425 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.927 7.151 -5.094 1.00 0.11 H new ATOM 1382 N SER A 90 2.391 5.795 -9.092 1.00 0.13 N ATOM 1383 CA SER A 90 3.379 6.377 -8.128 1.00 0.14 C ATOM 1384 C SER A 90 3.240 7.900 -8.128 1.00 0.14 C ATOM 1385 O SER A 90 2.240 8.443 -8.555 1.00 0.17 O ATOM 1386 CB SER A 90 4.795 5.995 -8.562 1.00 0.15 C ATOM 1387 OG SER A 90 5.220 6.868 -9.600 1.00 0.16 O ATOM 0 H SER A 90 2.652 5.876 -10.075 1.00 0.13 H new ATOM 0 HA SER A 90 3.190 5.991 -7.126 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.477 6.060 -7.714 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.815 4.962 -8.909 1.00 0.15 H new ATOM 0 HG SER A 90 5.871 7.508 -9.243 1.00 0.16 H new ATOM 1393 N GLY A 91 4.234 8.596 -7.651 1.00 0.12 N ATOM 1394 CA GLY A 91 4.155 10.086 -7.621 1.00 0.13 C ATOM 1395 C GLY A 91 3.301 10.520 -6.430 1.00 0.13 C ATOM 1396 O GLY A 91 2.196 10.048 -6.243 1.00 0.13 O ATOM 0 H GLY A 91 5.098 8.199 -7.281 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.155 10.514 -7.542 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.722 10.458 -8.549 1.00 0.13 H new ATOM 1400 N ALA A 92 3.804 11.404 -5.614 1.00 0.15 N ATOM 1401 CA ALA A 92 3.015 11.851 -4.429 1.00 0.17 C ATOM 1402 C ALA A 92 1.631 12.340 -4.866 1.00 0.15 C ATOM 1403 O ALA A 92 1.465 13.466 -5.291 1.00 0.16 O ATOM 1404 CB ALA A 92 3.753 12.991 -3.718 1.00 0.20 C ATOM 0 H ALA A 92 4.723 11.835 -5.714 1.00 0.15 H new ATOM 0 HA ALA A 92 2.897 11.007 -3.749 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.174 13.315 -2.853 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.732 12.642 -3.389 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.878 13.828 -4.405 1.00 0.20 H new ATOM 1410 N ASN A 93 0.632 11.506 -4.741 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.752 11.918 -5.120 1.00 0.13 C ATOM 1412 C ASN A 93 -1.720 11.342 -4.077 1.00 0.12 C ATOM 1413 O ASN A 93 -2.495 10.447 -4.351 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.081 11.380 -6.519 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.205 12.212 -7.139 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.329 12.283 -8.345 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.039 12.843 -6.359 1.00 1.15 N ATOM 0 H ASN A 93 0.716 10.552 -4.391 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.841 13.004 -5.143 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.195 11.419 -7.152 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.382 10.334 -6.456 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.795 13.396 -6.762 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -2.935 12.783 -5.346 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.650 11.844 -2.874 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.525 11.341 -1.769 1.00 0.20 C ATOM 1426 C LYS A 94 -4.007 11.530 -2.113 1.00 0.18 C ATOM 1427 O LYS A 94 -4.834 10.702 -1.786 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.197 12.114 -0.483 1.00 0.29 C ATOM 1429 CG LYS A 94 -1.938 13.585 -0.837 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.913 14.435 0.435 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.666 14.101 1.260 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.454 15.164 2.284 1.00 1.19 N ATOM 0 H LYS A 94 -1.014 12.594 -2.603 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.339 10.276 -1.630 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.023 12.037 0.224 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.321 11.684 0.002 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -0.989 13.678 -1.365 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.715 13.947 -1.511 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -1.915 15.494 0.176 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.811 14.249 1.025 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.785 13.132 1.744 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.206 14.027 0.610 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.564 15.349 2.387 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -0.936 16.036 1.984 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -0.842 14.850 3.196 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.360 12.610 -2.749 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.793 12.829 -3.081 1.00 0.20 C ATOM 1448 C GLU A 95 -6.258 11.758 -4.070 1.00 0.17 C ATOM 1449 O GLU A 95 -7.418 11.398 -4.113 1.00 0.18 O ATOM 1450 CB GLU A 95 -5.960 14.214 -3.709 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.806 15.294 -2.634 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.203 16.653 -3.213 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.390 16.871 -3.399 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -5.316 17.452 -3.461 1.00 1.86 O ATOM 0 H GLU A 95 -3.723 13.347 -3.052 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.393 12.766 -2.173 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.217 14.360 -4.493 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -6.940 14.294 -4.180 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.432 15.057 -1.774 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.776 15.325 -2.280 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.361 11.244 -4.864 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.741 10.194 -5.851 1.00 0.14 C ATOM 1463 C LYS A 96 -6.071 8.895 -5.117 1.00 0.12 C ATOM 1464 O LYS A 96 -6.933 8.149 -5.529 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.587 9.971 -6.831 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.989 8.954 -7.900 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.811 8.708 -8.859 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.334 8.162 -10.192 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.278 7.038 -9.934 1.00 2.05 N ATOM 0 H LYS A 96 -4.376 11.507 -4.872 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.621 10.517 -6.408 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.313 10.915 -7.302 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.708 9.616 -6.294 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.287 8.017 -7.429 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.852 9.320 -8.456 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.265 9.637 -9.025 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.110 8.001 -8.415 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.837 8.953 -10.748 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.503 7.818 -10.808 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.936 6.181 -10.413 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.337 6.862 -8.911 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -6.220 7.286 -10.298 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.401 8.613 -4.029 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.708 7.355 -3.285 1.00 0.11 C ATOM 1485 C LEU A 97 -7.218 7.262 -3.076 1.00 0.11 C ATOM 1486 O LEU A 97 -7.799 6.196 -3.104 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.014 7.375 -1.911 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.542 6.963 -2.036 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.864 7.185 -0.677 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.438 5.472 -2.457 1.00 0.13 C ATOM 0 H LEU A 97 -4.663 9.192 -3.627 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.350 6.499 -3.857 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.081 8.374 -1.480 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.529 6.698 -1.229 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.047 7.563 -2.799 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.815 6.898 -0.743 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.936 8.237 -0.402 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.359 6.578 0.080 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.388 5.190 -2.543 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.921 4.847 -1.706 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.931 5.330 -3.419 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.853 8.378 -2.864 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.328 8.360 -2.649 1.00 0.14 C ATOM 1504 C GLU A 98 -10.028 7.951 -3.946 1.00 0.13 C ATOM 1505 O GLU A 98 -10.809 7.022 -3.979 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.800 9.755 -2.230 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.211 9.664 -1.643 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.658 11.048 -1.169 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.399 12.008 -1.876 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.253 11.125 -0.106 1.00 2.05 O ATOM 0 H GLU A 98 -7.418 9.300 -2.830 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.572 7.644 -1.864 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.115 10.176 -1.494 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.795 10.425 -3.090 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.904 9.284 -2.393 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.225 8.961 -0.810 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.760 8.652 -5.012 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.410 8.328 -6.312 1.00 0.14 C ATOM 1519 C ALA A 99 -10.068 6.901 -6.755 1.00 0.12 C ATOM 1520 O ALA A 99 -10.915 6.182 -7.236 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.927 9.315 -7.376 1.00 0.15 C ATOM 0 H ALA A 99 -9.114 9.441 -5.038 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.490 8.403 -6.188 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.400 9.082 -8.330 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.192 10.330 -7.078 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.845 9.238 -7.479 1.00 0.15 H new ATOM 1527 N THR A 100 -8.835 6.490 -6.618 1.00 0.11 N ATOM 1528 CA THR A 100 -8.452 5.114 -7.063 1.00 0.11 C ATOM 1529 C THR A 100 -9.154 4.059 -6.207 1.00 0.10 C ATOM 1530 O THR A 100 -9.673 3.085 -6.716 1.00 0.11 O ATOM 1531 CB THR A 100 -6.938 4.936 -6.948 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.289 5.966 -7.676 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.537 3.579 -7.527 1.00 0.12 C ATOM 0 H THR A 100 -8.077 7.044 -6.219 1.00 0.11 H new ATOM 0 HA THR A 100 -8.759 4.988 -8.101 1.00 0.11 H new ATOM 0 HB THR A 100 -6.645 4.985 -5.899 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.340 5.990 -7.434 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.457 3.453 -7.445 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.038 2.785 -6.974 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.829 3.530 -8.576 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.181 4.236 -4.918 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.859 3.229 -4.052 1.00 0.11 C ATOM 1543 C ILE A 101 -11.343 3.177 -4.423 1.00 0.13 C ATOM 1544 O ILE A 101 -11.887 2.124 -4.684 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.690 3.627 -2.575 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.225 3.391 -2.150 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.626 2.777 -1.702 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.892 4.183 -0.875 1.00 0.18 C ATOM 0 H ILE A 101 -8.767 5.028 -4.427 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.416 2.244 -4.201 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.941 4.680 -2.448 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.059 2.328 -1.977 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.555 3.691 -2.956 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.505 3.060 -0.656 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.659 2.945 -2.006 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.379 1.722 -1.823 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.855 4.001 -0.594 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.037 5.247 -1.060 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.548 3.863 -0.066 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.001 4.302 -4.451 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.449 4.311 -4.806 1.00 0.17 C ATOM 1562 C ASN A 102 -13.633 3.765 -6.225 1.00 0.18 C ATOM 1563 O ASN A 102 -14.720 3.393 -6.621 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.980 5.744 -4.737 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.509 5.725 -4.744 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.116 5.022 -5.528 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.163 6.473 -3.897 1.00 1.03 N ATOM 0 H ASN A 102 -11.599 5.216 -4.243 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.999 3.684 -4.104 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.616 6.234 -3.834 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.609 6.321 -5.584 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.183 6.467 -3.893 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.654 7.063 -3.239 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.581 3.721 -6.996 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.697 3.207 -8.392 1.00 0.18 C ATOM 1576 C GLU A 103 -12.775 1.677 -8.382 1.00 0.19 C ATOM 1577 O GLU A 103 -13.743 1.089 -8.822 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.466 3.643 -9.197 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.772 3.564 -10.696 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.719 4.702 -11.085 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.537 5.797 -10.580 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.608 4.458 -11.885 1.00 2.01 O ATOM 0 H GLU A 103 -11.645 4.019 -6.720 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.601 3.611 -8.847 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.185 4.661 -8.927 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.617 3.004 -8.956 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.848 3.633 -11.271 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.225 2.602 -10.935 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.745 1.031 -7.906 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.726 -0.462 -7.885 1.00 0.19 C ATOM 1591 C LEU A 104 -12.285 -0.983 -6.558 1.00 0.19 C ATOM 1592 O LEU A 104 -12.009 -2.096 -6.156 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.280 -0.941 -8.058 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.676 -0.338 -9.334 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.171 -0.616 -9.355 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.337 -0.957 -10.576 1.00 0.35 C ATOM 0 H LEU A 104 -10.909 1.476 -7.528 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.346 -0.843 -8.696 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.686 -0.650 -7.192 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.253 -2.029 -8.112 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.852 0.738 -9.344 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.735 -0.190 -10.259 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.705 -0.163 -8.480 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.000 -1.692 -9.342 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.901 -0.522 -11.475 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.172 -2.034 -10.577 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.408 -0.754 -10.557 1.00 0.35 H new ATOM 1672 N PHE B 3 19.417 2.704 1.555 1.00 0.00 N ATOM 1673 CA PHE B 3 19.196 3.635 0.401 1.00 0.00 C ATOM 1674 C PHE B 3 18.877 2.813 -0.849 1.00 0.00 C ATOM 1675 O PHE B 3 19.257 1.664 -0.958 1.00 0.00 O ATOM 1676 CB PHE B 3 20.471 4.456 0.164 1.00 0.00 C ATOM 1677 CG PHE B 3 20.540 5.592 1.161 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.898 5.336 2.499 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.248 6.908 0.750 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.964 6.395 3.425 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.314 7.966 1.677 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.672 7.710 3.015 1.00 0.00 C ATOM 0 HA PHE B 3 18.366 4.307 0.619 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.349 3.818 0.264 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.477 4.850 -0.852 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.122 4.328 2.815 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.974 7.105 -0.276 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.239 6.198 4.451 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.090 8.974 1.362 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.722 8.522 3.726 1.00 0.00 H new ATOM 1692 N ARG B 4 18.178 3.390 -1.791 1.00 0.00 N ATOM 1693 CA ARG B 4 17.828 2.637 -3.033 1.00 0.00 C ATOM 1694 C ARG B 4 17.761 3.618 -4.220 1.00 0.00 C ATOM 1695 O ARG B 4 18.783 4.044 -4.721 1.00 0.00 O ATOM 1696 CB ARG B 4 16.472 1.927 -2.816 1.00 0.00 C ATOM 1697 CG ARG B 4 16.692 0.467 -2.385 1.00 0.00 C ATOM 1698 CD ARG B 4 17.338 -0.345 -3.528 1.00 0.00 C ATOM 1699 NE ARG B 4 16.730 -1.704 -3.571 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.898 -2.460 -4.621 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.608 -2.030 -5.628 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.355 -3.646 -4.664 1.00 0.00 N ATOM 0 H ARG B 4 17.834 4.350 -1.755 1.00 0.00 H new ATOM 0 HA ARG B 4 18.585 1.885 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.896 2.454 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.888 1.957 -3.736 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.331 0.435 -1.503 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.739 0.017 -2.105 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.188 0.163 -4.480 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.414 -0.420 -3.373 1.00 0.00 H new ATOM 0 HE ARG B 4 16.183 -2.043 -2.780 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.032 -1.103 -5.594 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.739 -2.621 -6.449 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.800 -3.981 -3.877 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.486 -4.237 -5.485 1.00 0.00 H new ATOM 1716 N TYR B 5 16.578 3.975 -4.677 1.00 0.00 N ATOM 1717 CA TYR B 5 16.457 4.923 -5.838 1.00 0.00 C ATOM 1718 C TYR B 5 15.857 6.260 -5.381 1.00 0.00 C ATOM 1719 O TYR B 5 15.797 6.560 -4.205 1.00 0.00 O ATOM 1720 CB TYR B 5 15.602 4.286 -6.948 1.00 0.00 C ATOM 1721 CG TYR B 5 14.464 3.489 -6.365 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.670 2.158 -5.953 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.191 4.067 -6.260 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.597 1.410 -5.426 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.120 3.322 -5.740 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.322 1.994 -5.319 1.00 0.00 C ATOM 1727 OH TYR B 5 11.269 1.264 -4.807 1.00 0.00 O ATOM 0 H TYR B 5 15.690 3.650 -4.295 1.00 0.00 H new ATOM 0 HA TYR B 5 17.451 5.122 -6.238 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.208 5.065 -7.600 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.225 3.639 -7.565 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.649 1.711 -6.041 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.034 5.087 -6.579 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.754 0.391 -5.105 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.140 3.769 -5.663 1.00 0.00 H new ATOM 0 HH TYR B 5 11.592 0.388 -4.511 1.00 0.00 H new ATOM 1737 N VAL B 6 15.462 7.086 -6.316 1.00 0.00 N ATOM 1738 CA VAL B 6 14.922 8.436 -5.965 1.00 0.00 C ATOM 1739 C VAL B 6 13.487 8.367 -5.435 1.00 0.00 C ATOM 1740 O VAL B 6 12.678 7.572 -5.874 1.00 0.00 O ATOM 1741 CB VAL B 6 14.935 9.315 -7.221 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.882 10.791 -6.822 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.208 9.048 -8.016 1.00 0.00 C ATOM 0 H VAL B 6 15.490 6.882 -7.315 1.00 0.00 H new ATOM 0 HA VAL B 6 15.552 8.852 -5.179 1.00 0.00 H new ATOM 0 HB VAL B 6 14.066 9.078 -7.834 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.892 11.411 -7.719 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.969 10.983 -6.258 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.747 11.032 -6.205 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.217 9.673 -8.909 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.077 9.282 -7.401 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.241 7.998 -8.308 1.00 0.00 H new ATOM 1753 N CYS B 7 13.162 9.247 -4.520 1.00 0.00 N ATOM 1754 CA CYS B 7 11.776 9.310 -3.972 1.00 0.00 C ATOM 1755 C CYS B 7 11.050 10.473 -4.648 1.00 0.00 C ATOM 1756 O CYS B 7 11.170 11.608 -4.234 1.00 0.00 O ATOM 1757 CB CYS B 7 11.811 9.550 -2.455 1.00 0.00 C ATOM 1758 SG CYS B 7 13.119 8.559 -1.692 1.00 0.00 S ATOM 0 H CYS B 7 13.808 9.932 -4.126 1.00 0.00 H new ATOM 0 HA CYS B 7 11.262 8.368 -4.164 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.981 10.607 -2.251 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.847 9.292 -2.017 1.00 0.00 H new ATOM 1763 N GLU B 8 10.312 10.213 -5.692 1.00 0.00 N ATOM 1764 CA GLU B 8 9.604 11.330 -6.382 1.00 0.00 C ATOM 1765 C GLU B 8 8.299 11.643 -5.652 1.00 0.00 C ATOM 1766 O GLU B 8 7.269 11.883 -6.257 1.00 0.00 O ATOM 1767 CB GLU B 8 9.306 10.944 -7.835 1.00 0.00 C ATOM 1768 CG GLU B 8 8.858 9.480 -7.901 1.00 0.00 C ATOM 1769 CD GLU B 8 8.101 9.233 -9.211 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.755 9.002 -10.215 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.883 9.277 -9.185 1.00 0.00 O ATOM 0 H GLU B 8 10.169 9.287 -6.094 1.00 0.00 H new ATOM 0 HA GLU B 8 10.242 12.214 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.528 11.591 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.194 11.090 -8.449 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.724 8.821 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.219 9.246 -7.050 1.00 0.00 H new ATOM 1778 N GLY B 9 8.339 11.674 -4.353 1.00 0.00 N ATOM 1779 CA GLY B 9 7.110 12.011 -3.593 1.00 0.00 C ATOM 1780 C GLY B 9 6.804 13.498 -3.867 1.00 0.00 C ATOM 1781 O GLY B 9 6.796 13.891 -5.017 1.00 0.00 O ATOM 0 H GLY B 9 9.166 11.482 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.277 11.382 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.256 11.837 -2.527 1.00 0.00 H new ATOM 1785 N PRO B 10 6.590 14.313 -2.848 1.00 0.00 N ATOM 1786 CA PRO B 10 6.332 15.747 -3.079 1.00 0.00 C ATOM 1787 C PRO B 10 7.633 16.419 -3.551 1.00 0.00 C ATOM 1788 O PRO B 10 7.831 17.606 -3.379 1.00 0.00 O ATOM 1789 CB PRO B 10 5.886 16.297 -1.705 1.00 0.00 C ATOM 1790 CG PRO B 10 6.136 15.174 -0.657 1.00 0.00 C ATOM 1791 CD PRO B 10 6.574 13.909 -1.427 1.00 0.00 C ATOM 0 HA PRO B 10 5.576 15.932 -3.842 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.449 17.195 -1.449 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.833 16.576 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.906 15.477 0.053 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.231 14.978 -0.082 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.558 13.570 -1.102 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.881 13.085 -1.259 1.00 0.00 H new ATOM 1799 N SER B 11 8.522 15.658 -4.132 1.00 0.00 N ATOM 1800 CA SER B 11 9.818 16.225 -4.606 1.00 0.00 C ATOM 1801 C SER B 11 9.675 16.712 -6.050 1.00 0.00 C ATOM 1802 O SER B 11 10.471 17.494 -6.531 1.00 0.00 O ATOM 1803 CB SER B 11 10.893 15.137 -4.540 1.00 0.00 C ATOM 1804 OG SER B 11 12.170 15.726 -4.750 1.00 0.00 O ATOM 0 H SER B 11 8.404 14.659 -4.300 1.00 0.00 H new ATOM 0 HA SER B 11 10.101 17.065 -3.972 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.864 14.639 -3.571 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.702 14.375 -5.296 1.00 0.00 H new ATOM 0 HG SER B 11 12.861 15.033 -4.707 1.00 0.00 H new