USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot 120:sc= -0.79! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -9.67! C(o=-21!,f=-10!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ 162:sc= 0.0971! (180deg=-0.221) USER MOD Set 2.2: A 103 THR OG1 : rot -170:sc= -1.03! USER MOD Set 3.1: A 37 LYS NZ :NH3+ -169:sc= -0.617 (180deg=-1.08) USER MOD Set 3.2: A 67 HIS : no HE2:sc= -2.32 K(o=-2.9,f=-8.1!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 163:sc= -0.276 (180deg=-1.42!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.355 X(o=-0.35,f=-0.33) USER MOD Single : A 19 LYS NZ :NH3+ 133:sc= 0.21 (180deg=-0.00893) USER MOD Single : A 21 TYR OH : rot -9:sc= 0.0476 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.63 F(o=-4.7!,f=-1.6) USER MOD Single : A 31 THR OG1 : rot -43:sc= 0.885 USER MOD Single : A 40 HIS : no HE2:sc= -2.93! C(o=-2.9!,f=-9.6!) USER MOD Single : A 41 TYR OH : rot -149:sc= -1.12 USER MOD Single : A 45 CYS SG : rot 42:sc= -0.241! USER MOD Single : A 47 GLN :FLIP amide:sc= -5.8! C(o=-11!,f=-5.8!) USER MOD Single : A 57 LYS NZ :NH3+ -132:sc= -0.118 (180deg=-1.08) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.13! C(o=-12!,f=-1.1!) USER MOD Single : A 66 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.483) USER MOD Single : A 68 HIS : no HE2:sc= -3.82 K(o=-3.8,f=-5.5!) USER MOD Single : A 70 THR OG1 : rot -169:sc= -9.07! USER MOD Single : A 74 SER OG : rot -74:sc= -0.806 USER MOD Single : A 77 TYR OH : rot -130:sc= -0.0128 USER MOD Single : A 80 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-6.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -68:sc= -3.32! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -127:sc= -2.3 (180deg=-7.8!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 97 LYS NZ :NH3+ 159:sc= -0.0237 (180deg=-0.237) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -137:sc= -0.426 (180deg=-1.55!) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.585 F(o=-2.6!,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.429 -7.365 86.571 1.00 0.00 N ATOM 44 CA LYS A 4 -6.298 -7.174 88.040 1.00 0.00 C ATOM 45 C LYS A 4 -5.877 -8.484 88.707 1.00 0.00 C ATOM 46 O LYS A 4 -4.782 -8.616 89.204 1.00 0.00 O ATOM 47 CB LYS A 4 -7.640 -6.737 88.603 1.00 0.00 C ATOM 48 CG LYS A 4 -8.244 -5.672 87.684 1.00 0.00 C ATOM 49 CD LYS A 4 -9.347 -4.912 88.410 1.00 0.00 C ATOM 50 CE LYS A 4 -10.515 -5.851 88.701 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.713 -5.043 89.093 1.00 0.00 N ATOM 0 HA LYS A 4 -5.541 -6.415 88.237 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.312 -7.592 88.681 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.514 -6.338 89.609 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.468 -4.979 87.360 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.647 -6.142 86.787 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.962 -4.495 89.341 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.685 -4.073 87.801 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.740 -6.453 87.821 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.250 -6.542 89.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.511 -5.680 89.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.493 -4.487 89.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.968 -4.401 88.316 1.00 0.00 H new ATOM 65 N GLU A 5 -6.743 -9.456 88.723 1.00 0.00 N ATOM 66 CA GLU A 5 -6.402 -10.748 89.372 1.00 0.00 C ATOM 67 C GLU A 5 -5.009 -11.203 88.935 1.00 0.00 C ATOM 68 O GLU A 5 -4.118 -11.366 89.744 1.00 0.00 O ATOM 69 CB GLU A 5 -7.441 -11.808 88.988 1.00 0.00 C ATOM 70 CG GLU A 5 -7.247 -13.043 89.862 1.00 0.00 C ATOM 71 CD GLU A 5 -8.237 -14.127 89.440 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.567 -14.183 88.269 1.00 0.00 O ATOM 73 OE2 GLU A 5 -8.654 -14.879 90.296 1.00 0.00 O ATOM 0 H GLU A 5 -7.676 -9.410 88.313 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.406 -10.615 90.454 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.448 -11.411 89.118 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.336 -12.073 87.936 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.226 -13.412 89.767 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.397 -12.787 90.911 1.00 0.00 H new ATOM 80 N PHE A 6 -4.806 -11.399 87.665 1.00 0.00 N ATOM 81 CA PHE A 6 -3.469 -11.840 87.189 1.00 0.00 C ATOM 82 C PHE A 6 -2.382 -10.840 87.624 1.00 0.00 C ATOM 83 O PHE A 6 -1.442 -11.208 88.289 1.00 0.00 O ATOM 84 CB PHE A 6 -3.489 -11.962 85.660 1.00 0.00 C ATOM 85 CG PHE A 6 -2.121 -12.380 85.169 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.558 -13.592 85.600 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.406 -11.558 84.289 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.290 -13.976 85.151 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.139 -11.942 83.848 1.00 0.00 C ATOM 90 CZ PHE A 6 0.419 -13.155 84.278 1.00 0.00 C ATOM 0 H PHE A 6 -5.508 -11.273 86.936 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.238 -12.810 87.630 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.236 -12.693 85.353 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.772 -11.009 85.212 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.105 -14.229 86.279 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.835 -10.626 83.951 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.139 -14.910 85.482 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.413 -11.304 83.174 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.398 -13.452 83.932 1.00 0.00 H new ATOM 100 N MET A 7 -2.505 -9.585 87.261 1.00 0.00 N ATOM 101 CA MET A 7 -1.476 -8.565 87.663 1.00 0.00 C ATOM 102 C MET A 7 -1.368 -8.513 89.189 1.00 0.00 C ATOM 103 O MET A 7 -0.308 -8.665 89.753 1.00 0.00 O ATOM 104 CB MET A 7 -1.917 -7.201 87.145 1.00 0.00 C ATOM 105 CG MET A 7 -1.099 -6.087 87.808 1.00 0.00 C ATOM 106 SD MET A 7 -1.260 -4.556 86.853 1.00 0.00 S ATOM 107 CE MET A 7 -3.037 -4.626 86.533 1.00 0.00 C ATOM 0 H MET A 7 -3.276 -9.219 86.702 1.00 0.00 H new ATOM 0 HA MET A 7 -0.506 -8.834 87.244 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.792 -7.158 86.063 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.977 -7.053 87.349 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.445 -5.928 88.829 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.051 -6.380 87.869 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.390 -3.642 86.224 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.236 -5.348 85.741 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.558 -4.930 87.441 1.00 0.00 H new ATOM 117 N TRP A 8 -2.468 -8.273 89.847 1.00 0.00 N ATOM 118 CA TRP A 8 -2.467 -8.175 91.344 1.00 0.00 C ATOM 119 C TRP A 8 -1.752 -9.370 91.988 1.00 0.00 C ATOM 120 O TRP A 8 -1.486 -9.360 93.175 1.00 0.00 O ATOM 121 CB TRP A 8 -3.911 -8.107 91.854 1.00 0.00 C ATOM 122 CG TRP A 8 -3.920 -7.888 93.338 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.230 -8.825 94.271 1.00 0.00 C ATOM 124 CD2 TRP A 8 -3.639 -6.661 94.066 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.144 -8.254 95.519 1.00 0.00 N ATOM 126 CE2 TRP A 8 -3.784 -6.916 95.448 1.00 0.00 C ATOM 127 CE3 TRP A 8 -3.268 -5.364 93.663 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -3.575 -5.913 96.399 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -3.057 -4.360 94.611 1.00 0.00 C ATOM 130 CH2 TRP A 8 -3.211 -4.630 95.978 1.00 0.00 C ATOM 0 H TRP A 8 -3.380 -8.138 89.411 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.927 -7.270 91.622 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.444 -7.298 91.355 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.435 -9.031 91.611 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.500 -9.851 94.066 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.323 -8.753 96.390 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.146 -5.144 92.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.694 -6.127 97.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.773 -3.369 94.289 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.049 -3.848 96.705 1.00 0.00 H new ATOM 141 N ALA A 9 -1.404 -10.397 91.242 1.00 0.00 N ATOM 142 CA ALA A 9 -0.694 -11.536 91.871 1.00 0.00 C ATOM 143 C ALA A 9 0.803 -11.246 91.907 1.00 0.00 C ATOM 144 O ALA A 9 1.442 -11.386 92.932 1.00 0.00 O ATOM 145 CB ALA A 9 -0.971 -12.815 91.094 1.00 0.00 C ATOM 0 H ALA A 9 -1.582 -10.486 90.242 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.053 -11.668 92.892 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.445 -13.647 91.563 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.042 -13.016 91.094 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.624 -12.699 90.067 1.00 0.00 H new ATOM 151 N LEU A 10 1.366 -10.827 90.816 1.00 0.00 N ATOM 152 CA LEU A 10 2.815 -10.508 90.811 1.00 0.00 C ATOM 153 C LEU A 10 3.086 -9.451 91.889 1.00 0.00 C ATOM 154 O LEU A 10 4.216 -9.117 92.185 1.00 0.00 O ATOM 155 CB LEU A 10 3.194 -9.928 89.441 1.00 0.00 C ATOM 156 CG LEU A 10 2.754 -10.880 88.284 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.566 -10.306 87.534 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.879 -11.087 87.271 1.00 0.00 C ATOM 0 H LEU A 10 0.886 -10.691 89.926 1.00 0.00 H new ATOM 0 HA LEU A 10 3.399 -11.407 91.008 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.723 -8.953 89.313 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.271 -9.770 89.396 1.00 0.00 H new ATOM 0 HG LEU A 10 2.492 -11.831 88.748 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.278 -10.987 86.733 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.729 -10.179 88.221 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.837 -9.339 87.109 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.538 -11.755 86.480 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.161 -10.127 86.839 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.742 -11.527 87.771 1.00 0.00 H new ATOM 170 N LYS A 11 2.036 -8.904 92.443 1.00 0.00 N ATOM 171 CA LYS A 11 2.156 -7.817 93.474 1.00 0.00 C ATOM 172 C LYS A 11 2.302 -8.344 94.913 1.00 0.00 C ATOM 173 O LYS A 11 3.364 -8.289 95.515 1.00 0.00 O ATOM 174 CB LYS A 11 0.858 -7.030 93.401 1.00 0.00 C ATOM 175 CG LYS A 11 0.791 -5.923 94.502 1.00 0.00 C ATOM 176 CD LYS A 11 0.428 -4.566 93.870 1.00 0.00 C ATOM 177 CE LYS A 11 1.638 -4.021 93.105 1.00 0.00 C ATOM 178 NZ LYS A 11 1.175 -3.217 91.942 1.00 0.00 N ATOM 0 H LYS A 11 1.076 -9.168 92.222 1.00 0.00 H new ATOM 0 HA LYS A 11 3.051 -7.233 93.260 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.766 -6.571 92.417 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.013 -7.709 93.516 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.049 -6.192 95.254 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.751 -5.849 95.013 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.420 -4.682 93.196 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.126 -3.861 94.644 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.250 -3.406 93.764 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.266 -4.844 92.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.999 -2.848 91.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.609 -3.817 91.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.594 -2.423 92.278 1.00 0.00 H new ATOM 192 N ASN A 12 1.215 -8.793 95.475 1.00 0.00 N ATOM 193 CA ASN A 12 1.215 -9.268 96.897 1.00 0.00 C ATOM 194 C ASN A 12 1.774 -10.681 97.010 1.00 0.00 C ATOM 195 O ASN A 12 1.497 -11.401 97.952 1.00 0.00 O ATOM 196 CB ASN A 12 -0.219 -9.245 97.423 1.00 0.00 C ATOM 197 CG ASN A 12 -0.217 -9.367 98.950 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.758 -10.302 99.492 1.00 0.00 O ATOM 199 ND2 ASN A 12 0.381 -8.460 99.666 1.00 0.00 N ATOM 0 H ASN A 12 0.311 -8.854 95.007 1.00 0.00 H new ATOM 0 HA ASN A 12 1.850 -8.606 97.486 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.710 -8.319 97.124 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.789 -10.064 96.985 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.393 -8.539 100.683 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.838 -7.670 99.210 1.00 0.00 H new ATOM 206 N GLY A 13 2.603 -11.063 96.097 1.00 0.00 N ATOM 207 CA GLY A 13 3.220 -12.396 96.190 1.00 0.00 C ATOM 208 C GLY A 13 2.171 -13.500 96.061 1.00 0.00 C ATOM 209 O GLY A 13 2.372 -14.605 96.539 1.00 0.00 O ATOM 0 H GLY A 13 2.880 -10.507 95.288 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.969 -12.509 95.406 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.739 -12.494 97.143 1.00 0.00 H new ATOM 213 N ASP A 14 1.054 -13.237 95.423 1.00 0.00 N ATOM 214 CA ASP A 14 0.037 -14.312 95.274 1.00 0.00 C ATOM 215 C ASP A 14 0.601 -15.283 94.268 1.00 0.00 C ATOM 216 O ASP A 14 0.020 -15.594 93.240 1.00 0.00 O ATOM 217 CB ASP A 14 -1.295 -13.755 94.784 1.00 0.00 C ATOM 218 CG ASP A 14 -1.493 -12.344 95.345 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.600 -11.526 95.159 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.534 -12.099 95.939 1.00 0.00 O ATOM 0 H ASP A 14 0.810 -12.338 95.007 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.162 -14.791 96.233 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.313 -13.731 93.694 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.112 -14.403 95.102 1.00 0.00 H new ATOM 225 N LEU A 15 1.764 -15.710 94.568 1.00 0.00 N ATOM 226 CA LEU A 15 2.500 -16.615 93.693 1.00 0.00 C ATOM 227 C LEU A 15 1.595 -17.764 93.267 1.00 0.00 C ATOM 228 O LEU A 15 1.755 -18.358 92.220 1.00 0.00 O ATOM 229 CB LEU A 15 3.731 -17.073 94.476 1.00 0.00 C ATOM 230 CG LEU A 15 4.595 -18.059 93.678 1.00 0.00 C ATOM 231 CD1 LEU A 15 3.956 -19.471 93.646 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.815 -17.514 92.247 1.00 0.00 C ATOM 0 H LEU A 15 2.259 -15.458 95.424 1.00 0.00 H new ATOM 0 HA LEU A 15 2.826 -16.135 92.770 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.331 -16.204 94.746 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.413 -17.543 95.407 1.00 0.00 H new ATOM 0 HG LEU A 15 5.562 -18.156 94.172 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.592 -20.145 93.073 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.853 -19.847 94.664 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.973 -19.415 93.178 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.429 -18.215 91.681 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.852 -17.393 91.752 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.320 -16.549 92.299 1.00 0.00 H new ATOM 244 N ASP A 16 0.646 -18.068 94.084 1.00 0.00 N ATOM 245 CA ASP A 16 -0.308 -19.156 93.776 1.00 0.00 C ATOM 246 C ASP A 16 -1.175 -18.783 92.572 1.00 0.00 C ATOM 247 O ASP A 16 -1.578 -19.630 91.806 1.00 0.00 O ATOM 248 CB ASP A 16 -1.208 -19.372 94.978 1.00 0.00 C ATOM 249 CG ASP A 16 -0.354 -19.461 96.244 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.387 -20.426 96.376 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.451 -18.565 97.059 1.00 0.00 O ATOM 0 H ASP A 16 0.484 -17.599 94.975 1.00 0.00 H new ATOM 0 HA ASP A 16 0.250 -20.063 93.545 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.921 -18.552 95.064 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.788 -20.286 94.852 1.00 0.00 H new ATOM 256 N GLU A 17 -1.499 -17.528 92.425 1.00 0.00 N ATOM 257 CA GLU A 17 -2.382 -17.110 91.290 1.00 0.00 C ATOM 258 C GLU A 17 -1.591 -17.064 89.972 1.00 0.00 C ATOM 259 O GLU A 17 -2.048 -17.541 88.948 1.00 0.00 O ATOM 260 CB GLU A 17 -2.978 -15.726 91.586 1.00 0.00 C ATOM 261 CG GLU A 17 -4.168 -15.869 92.538 1.00 0.00 C ATOM 262 CD GLU A 17 -5.360 -16.456 91.779 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.197 -16.751 90.607 1.00 0.00 O ATOM 264 OE2 GLU A 17 -6.411 -16.589 92.384 1.00 0.00 O ATOM 0 H GLU A 17 -1.193 -16.772 93.038 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.184 -17.841 91.185 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.220 -15.081 92.030 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.297 -15.251 90.658 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.902 -16.515 93.375 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.432 -14.898 92.956 1.00 0.00 H new ATOM 271 N VAL A 18 -0.403 -16.530 89.988 1.00 0.00 N ATOM 272 CA VAL A 18 0.414 -16.492 88.729 1.00 0.00 C ATOM 273 C VAL A 18 0.717 -17.933 88.333 1.00 0.00 C ATOM 274 O VAL A 18 0.725 -18.303 87.175 1.00 0.00 O ATOM 275 CB VAL A 18 1.761 -15.763 88.984 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.790 -14.375 88.345 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.978 -15.604 90.473 1.00 0.00 C ATOM 0 H VAL A 18 0.041 -16.119 90.809 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.135 -15.966 87.948 1.00 0.00 H new ATOM 0 HB VAL A 18 2.548 -16.370 88.536 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.750 -13.901 88.548 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.652 -14.467 87.268 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.989 -13.765 88.763 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.924 -15.092 90.650 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.163 -15.019 90.899 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.003 -16.587 90.944 1.00 0.00 H new ATOM 287 N LYS A 19 0.984 -18.748 89.303 1.00 0.00 N ATOM 288 CA LYS A 19 1.298 -20.163 89.036 1.00 0.00 C ATOM 289 C LYS A 19 0.171 -20.825 88.230 1.00 0.00 C ATOM 290 O LYS A 19 0.399 -21.742 87.477 1.00 0.00 O ATOM 291 CB LYS A 19 1.503 -20.833 90.392 1.00 0.00 C ATOM 292 CG LYS A 19 2.011 -22.274 90.222 1.00 0.00 C ATOM 293 CD LYS A 19 2.788 -22.704 91.486 1.00 0.00 C ATOM 294 CE LYS A 19 4.249 -22.223 91.408 1.00 0.00 C ATOM 295 NZ LYS A 19 5.124 -23.329 90.928 1.00 0.00 N ATOM 0 H LYS A 19 0.997 -18.485 90.289 1.00 0.00 H new ATOM 0 HA LYS A 19 2.200 -20.263 88.432 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.218 -20.259 90.981 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.564 -20.837 90.945 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.172 -22.948 90.052 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.656 -22.342 89.346 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.309 -22.290 92.373 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.761 -23.789 91.586 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.324 -21.370 90.734 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.582 -21.884 92.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.755 -22.974 90.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.694 -23.689 91.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.535 -24.097 90.547 1.00 0.00 H new ATOM 309 N ASP A 20 -1.039 -20.378 88.412 1.00 0.00 N ATOM 310 CA ASP A 20 -2.208 -20.979 87.689 1.00 0.00 C ATOM 311 C ASP A 20 -2.205 -20.619 86.198 1.00 0.00 C ATOM 312 O ASP A 20 -2.318 -21.476 85.344 1.00 0.00 O ATOM 313 CB ASP A 20 -3.514 -20.471 88.312 1.00 0.00 C ATOM 314 CG ASP A 20 -4.697 -21.231 87.706 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.892 -22.385 88.067 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.399 -20.643 86.900 1.00 0.00 O ATOM 0 H ASP A 20 -1.277 -19.610 89.040 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.129 -22.062 87.783 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.493 -20.611 89.393 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.624 -19.402 88.132 1.00 0.00 H new ATOM 321 N TYR A 21 -2.111 -19.360 85.883 1.00 0.00 N ATOM 322 CA TYR A 21 -2.143 -18.952 84.443 1.00 0.00 C ATOM 323 C TYR A 21 -1.028 -19.644 83.634 1.00 0.00 C ATOM 324 O TYR A 21 -1.283 -20.219 82.593 1.00 0.00 O ATOM 325 CB TYR A 21 -1.988 -17.440 84.319 1.00 0.00 C ATOM 326 CG TYR A 21 -3.265 -16.771 84.758 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.498 -16.525 86.116 1.00 0.00 C ATOM 328 CD2 TYR A 21 -4.213 -16.388 83.796 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.696 -15.904 86.514 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.406 -15.766 84.200 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.646 -15.524 85.553 1.00 0.00 C ATOM 332 OH TYR A 21 -6.818 -14.914 85.939 1.00 0.00 O ATOM 0 H TYR A 21 -2.014 -18.596 86.551 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.107 -19.260 84.038 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.155 -17.097 84.932 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.758 -17.170 83.288 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.763 -16.810 86.854 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.026 -16.571 82.748 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.885 -15.719 87.561 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.139 -15.475 83.462 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.900 -14.951 86.915 1.00 0.00 H new ATOM 342 N VAL A 22 0.200 -19.591 84.077 1.00 0.00 N ATOM 343 CA VAL A 22 1.293 -20.245 83.293 1.00 0.00 C ATOM 344 C VAL A 22 1.110 -21.757 83.317 1.00 0.00 C ATOM 345 O VAL A 22 1.589 -22.460 82.444 1.00 0.00 O ATOM 346 CB VAL A 22 2.669 -19.846 83.844 1.00 0.00 C ATOM 347 CG1 VAL A 22 2.876 -20.388 85.249 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.770 -20.402 82.941 1.00 0.00 C ATOM 0 H VAL A 22 0.494 -19.129 84.938 1.00 0.00 H new ATOM 0 HA VAL A 22 1.241 -19.905 82.259 1.00 0.00 H new ATOM 0 HB VAL A 22 2.713 -18.757 83.872 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.859 -20.089 85.613 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.107 -19.988 85.910 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.810 -21.476 85.233 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.744 -20.116 83.337 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.698 -21.489 82.906 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.654 -19.998 81.935 1.00 0.00 H new ATOM 358 N ALA A 23 0.396 -22.270 84.284 1.00 0.00 N ATOM 359 CA ALA A 23 0.168 -23.734 84.331 1.00 0.00 C ATOM 360 C ALA A 23 -0.421 -24.149 82.990 1.00 0.00 C ATOM 361 O ALA A 23 -0.342 -25.287 82.562 1.00 0.00 O ATOM 362 CB ALA A 23 -0.832 -24.030 85.446 1.00 0.00 C ATOM 0 H ALA A 23 -0.036 -21.736 85.038 1.00 0.00 H new ATOM 0 HA ALA A 23 1.094 -24.277 84.521 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.013 -25.104 85.497 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.428 -23.685 86.398 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.769 -23.513 85.241 1.00 0.00 H new ATOM 368 N LYS A 24 -0.993 -23.197 82.336 1.00 0.00 N ATOM 369 CA LYS A 24 -1.604 -23.428 81.008 1.00 0.00 C ATOM 370 C LYS A 24 -0.585 -24.014 80.028 1.00 0.00 C ATOM 371 O LYS A 24 -0.518 -25.209 79.827 1.00 0.00 O ATOM 372 CB LYS A 24 -2.092 -22.095 80.484 1.00 0.00 C ATOM 373 CG LYS A 24 -2.836 -22.298 79.176 1.00 0.00 C ATOM 374 CD LYS A 24 -3.595 -21.016 78.843 1.00 0.00 C ATOM 375 CE LYS A 24 -2.618 -19.866 78.625 1.00 0.00 C ATOM 376 NZ LYS A 24 -3.311 -18.780 77.886 1.00 0.00 N ATOM 0 H LYS A 24 -1.067 -22.237 82.674 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.425 -24.138 81.105 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.747 -21.624 81.216 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.248 -21.422 80.332 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.136 -22.542 78.377 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.528 -23.136 79.260 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.199 -21.164 77.948 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.282 -20.771 79.653 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.251 -19.496 79.583 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.750 -20.210 78.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.653 -17.990 77.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.640 -19.140 76.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.126 -18.448 78.440 1.00 0.00 H new ATOM 390 N GLY A 25 0.207 -23.189 79.421 1.00 0.00 N ATOM 391 CA GLY A 25 1.214 -23.696 78.458 1.00 0.00 C ATOM 392 C GLY A 25 2.320 -22.657 78.264 1.00 0.00 C ATOM 393 O GLY A 25 2.390 -21.997 77.256 1.00 0.00 O ATOM 0 H GLY A 25 0.202 -22.177 79.550 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.641 -24.630 78.823 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.738 -23.915 77.502 1.00 0.00 H new ATOM 397 N GLU A 26 3.171 -22.514 79.240 1.00 0.00 N ATOM 398 CA GLU A 26 4.302 -21.518 79.176 1.00 0.00 C ATOM 399 C GLU A 26 3.915 -20.253 78.398 1.00 0.00 C ATOM 400 O GLU A 26 3.960 -20.211 77.176 1.00 0.00 O ATOM 401 CB GLU A 26 5.548 -22.163 78.546 1.00 0.00 C ATOM 402 CG GLU A 26 5.148 -23.084 77.392 1.00 0.00 C ATOM 403 CD GLU A 26 6.401 -23.645 76.737 1.00 0.00 C ATOM 404 OE1 GLU A 26 6.964 -24.572 77.286 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.768 -23.138 75.691 1.00 0.00 O ATOM 0 H GLU A 26 3.138 -23.054 80.105 1.00 0.00 H new ATOM 0 HA GLU A 26 4.527 -21.219 80.200 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.222 -21.387 78.183 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.092 -22.731 79.301 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.522 -23.897 77.761 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.557 -22.533 76.660 1.00 0.00 H new ATOM 412 N ASP A 27 3.569 -19.219 79.111 1.00 0.00 N ATOM 413 CA ASP A 27 3.202 -17.935 78.464 1.00 0.00 C ATOM 414 C ASP A 27 3.775 -16.822 79.333 1.00 0.00 C ATOM 415 O ASP A 27 3.149 -15.818 79.588 1.00 0.00 O ATOM 416 CB ASP A 27 1.675 -17.802 78.406 1.00 0.00 C ATOM 417 CG ASP A 27 1.070 -18.990 77.664 1.00 0.00 C ATOM 418 OD1 ASP A 27 0.788 -19.985 78.305 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.908 -18.885 76.469 1.00 0.00 O ATOM 0 H ASP A 27 3.525 -19.212 80.130 1.00 0.00 H new ATOM 0 HA ASP A 27 3.593 -17.884 77.448 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.269 -17.750 79.416 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.402 -16.874 77.904 1.00 0.00 H new ATOM 424 N VAL A 28 4.962 -17.011 79.821 1.00 0.00 N ATOM 425 CA VAL A 28 5.570 -15.982 80.708 1.00 0.00 C ATOM 426 C VAL A 28 6.157 -14.833 79.896 1.00 0.00 C ATOM 427 O VAL A 28 7.351 -14.691 79.736 1.00 0.00 O ATOM 428 CB VAL A 28 6.633 -16.642 81.563 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.946 -17.580 82.548 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.599 -17.468 80.695 1.00 0.00 C ATOM 0 H VAL A 28 5.541 -17.833 79.646 1.00 0.00 H new ATOM 0 HA VAL A 28 4.798 -15.557 81.350 1.00 0.00 H new ATOM 0 HB VAL A 28 7.199 -15.869 82.083 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.696 -18.065 83.173 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.263 -17.010 83.178 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.386 -18.338 81.999 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.353 -17.932 81.331 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.042 -18.243 80.167 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.087 -16.815 79.971 1.00 0.00 H new ATOM 440 N ASN A 29 5.301 -14.012 79.395 1.00 0.00 N ATOM 441 CA ASN A 29 5.727 -12.849 78.600 1.00 0.00 C ATOM 442 C ASN A 29 4.457 -12.106 78.205 1.00 0.00 C ATOM 443 O ASN A 29 4.323 -11.616 77.101 1.00 0.00 O ATOM 444 CB ASN A 29 6.469 -13.331 77.354 1.00 0.00 C ATOM 445 CG ASN A 29 5.803 -14.588 76.804 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.042 -15.740 77.358 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.071 -14.520 75.841 1.00 0.00 N flip ATOM 0 H ASN A 29 4.291 -14.101 79.507 1.00 0.00 H new ATOM 0 HA ASN A 29 6.398 -12.199 79.162 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.470 -12.548 76.595 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.511 -13.539 77.599 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.883 -13.617 75.406 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.643 -15.366 75.465 1.00 0.00 H new ATOM 454 N ARG A 30 3.507 -12.049 79.109 1.00 0.00 N ATOM 455 CA ARG A 30 2.206 -11.377 78.812 1.00 0.00 C ATOM 456 C ARG A 30 2.170 -9.992 79.437 1.00 0.00 C ATOM 457 O ARG A 30 1.974 -9.835 80.635 1.00 0.00 O ATOM 458 CB ARG A 30 1.080 -12.216 79.405 1.00 0.00 C ATOM 459 CG ARG A 30 0.888 -13.498 78.592 1.00 0.00 C ATOM 460 CD ARG A 30 -0.400 -14.219 79.023 1.00 0.00 C ATOM 461 NE ARG A 30 -0.563 -15.496 78.242 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.528 -15.511 76.939 1.00 0.00 C ATOM 463 NH1 ARG A 30 -0.604 -14.399 76.253 1.00 0.00 N ATOM 464 NH2 ARG A 30 -0.472 -16.664 76.316 1.00 0.00 N ATOM 0 H ARG A 30 3.580 -12.443 80.047 1.00 0.00 H new ATOM 0 HA ARG A 30 2.089 -11.281 77.733 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.310 -12.465 80.441 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.154 -11.641 79.413 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.840 -13.259 77.530 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.745 -14.157 78.732 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.364 -14.438 80.090 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.261 -13.571 78.860 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.704 -16.372 78.745 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.692 -13.506 76.738 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.575 -14.426 75.234 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.456 -17.532 76.851 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.444 -16.692 75.297 1.00 0.00 H new ATOM 478 N THR A 31 2.305 -8.979 78.635 1.00 0.00 N ATOM 479 CA THR A 31 2.242 -7.608 79.189 1.00 0.00 C ATOM 480 C THR A 31 0.917 -7.435 79.907 1.00 0.00 C ATOM 481 O THR A 31 -0.112 -7.284 79.276 1.00 0.00 O ATOM 482 CB THR A 31 2.320 -6.603 78.047 1.00 0.00 C ATOM 483 OG1 THR A 31 3.597 -6.712 77.422 1.00 0.00 O ATOM 484 CG2 THR A 31 2.122 -5.175 78.583 1.00 0.00 C ATOM 0 H THR A 31 2.455 -9.041 77.628 1.00 0.00 H new ATOM 0 HA THR A 31 3.070 -7.446 79.880 1.00 0.00 H new ATOM 0 HB THR A 31 1.534 -6.814 77.322 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.292 -6.789 78.109 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.180 -4.465 77.758 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.145 -5.098 79.060 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.901 -4.949 79.311 1.00 0.00 H new ATOM 492 N LEU A 32 0.911 -7.478 81.214 1.00 0.00 N ATOM 493 CA LEU A 32 -0.400 -7.328 81.922 1.00 0.00 C ATOM 494 C LEU A 32 -0.858 -5.875 81.924 1.00 0.00 C ATOM 495 O LEU A 32 -2.041 -5.617 81.970 1.00 0.00 O ATOM 496 CB LEU A 32 -0.382 -7.921 83.358 1.00 0.00 C ATOM 497 CG LEU A 32 0.693 -7.335 84.309 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.103 -7.586 83.768 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.488 -5.836 84.570 1.00 0.00 C ATOM 0 H LEU A 32 1.729 -7.606 81.809 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.128 -7.914 81.360 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.363 -7.767 83.808 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.230 -8.998 83.286 1.00 0.00 H new ATOM 0 HG LEU A 32 0.581 -7.854 85.261 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.837 -7.164 84.455 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.270 -8.659 83.672 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.207 -7.114 82.791 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.266 -5.474 85.242 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.540 -5.292 83.627 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.489 -5.676 85.027 1.00 0.00 H new ATOM 511 N GLU A 33 0.038 -4.919 81.854 1.00 0.00 N ATOM 512 CA GLU A 33 -0.399 -3.489 81.836 1.00 0.00 C ATOM 513 C GLU A 33 -0.758 -3.064 80.403 1.00 0.00 C ATOM 514 O GLU A 33 -1.892 -3.149 79.984 1.00 0.00 O ATOM 515 CB GLU A 33 0.706 -2.586 82.382 1.00 0.00 C ATOM 516 CG GLU A 33 0.266 -1.115 82.311 1.00 0.00 C ATOM 517 CD GLU A 33 -1.034 -0.915 83.101 1.00 0.00 C ATOM 518 OE1 GLU A 33 -1.003 -1.099 84.306 1.00 0.00 O ATOM 519 OE2 GLU A 33 -2.033 -0.567 82.494 1.00 0.00 O ATOM 0 H GLU A 33 1.046 -5.067 81.809 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.280 -3.389 82.470 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.932 -2.857 83.413 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.621 -2.729 81.807 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.049 -0.473 82.715 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.118 -0.821 81.272 1.00 0.00 H new ATOM 526 N GLY A 34 0.202 -2.597 79.645 1.00 0.00 N ATOM 527 CA GLY A 34 -0.094 -2.171 78.245 1.00 0.00 C ATOM 528 C GLY A 34 1.173 -2.273 77.410 1.00 0.00 C ATOM 529 O GLY A 34 1.127 -2.509 76.216 1.00 0.00 O ATOM 0 H GLY A 34 1.174 -2.493 79.935 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.876 -2.800 77.819 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.468 -1.147 78.236 1.00 0.00 H new ATOM 533 N GLY A 35 2.309 -2.098 78.032 1.00 0.00 N ATOM 534 CA GLY A 35 3.602 -2.175 77.294 1.00 0.00 C ATOM 535 C GLY A 35 4.701 -2.701 78.237 1.00 0.00 C ATOM 536 O GLY A 35 5.886 -2.458 78.026 1.00 0.00 O ATOM 0 H GLY A 35 2.396 -1.903 79.029 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.502 -2.834 76.431 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.875 -1.191 76.913 1.00 0.00 H new ATOM 540 N ARG A 36 4.314 -3.396 79.284 1.00 0.00 N ATOM 541 CA ARG A 36 5.322 -3.938 80.275 1.00 0.00 C ATOM 542 C ARG A 36 5.349 -5.476 80.243 1.00 0.00 C ATOM 543 O ARG A 36 4.866 -6.099 79.317 1.00 0.00 O ATOM 544 CB ARG A 36 4.959 -3.430 81.680 1.00 0.00 C ATOM 545 CG ARG A 36 4.624 -1.922 81.610 1.00 0.00 C ATOM 546 CD ARG A 36 4.781 -1.264 82.999 1.00 0.00 C ATOM 547 NE ARG A 36 3.713 -0.209 83.188 1.00 0.00 N ATOM 548 CZ ARG A 36 3.471 0.688 82.268 1.00 0.00 C ATOM 549 NH1 ARG A 36 4.257 0.831 81.233 1.00 0.00 N ATOM 550 NH2 ARG A 36 2.454 1.494 82.420 1.00 0.00 N ATOM 0 H ARG A 36 3.342 -3.615 79.501 1.00 0.00 H new ATOM 0 HA ARG A 36 6.318 -3.587 80.006 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.106 -3.985 82.071 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.790 -3.598 82.365 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.282 -1.431 80.893 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.604 -1.787 81.251 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.702 -2.019 83.781 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.770 -0.814 83.089 1.00 0.00 H new ATOM 0 HE ARG A 36 3.170 -0.197 84.052 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.079 0.236 81.131 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.048 1.538 80.528 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.862 1.418 83.247 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.252 2.199 81.711 1.00 0.00 H new ATOM 564 N LYS A 37 5.954 -6.096 81.237 1.00 0.00 N ATOM 565 CA LYS A 37 6.061 -7.601 81.275 1.00 0.00 C ATOM 566 C LYS A 37 5.742 -8.086 82.711 1.00 0.00 C ATOM 567 O LYS A 37 5.614 -7.271 83.589 1.00 0.00 O ATOM 568 CB LYS A 37 7.500 -8.014 80.850 1.00 0.00 C ATOM 569 CG LYS A 37 8.484 -6.842 81.005 1.00 0.00 C ATOM 570 CD LYS A 37 8.608 -6.478 82.486 1.00 0.00 C ATOM 571 CE LYS A 37 9.392 -5.173 82.633 1.00 0.00 C ATOM 572 NZ LYS A 37 10.199 -4.909 81.405 1.00 0.00 N ATOM 0 H LYS A 37 6.382 -5.621 82.031 1.00 0.00 H new ATOM 0 HA LYS A 37 5.351 -8.060 80.586 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.834 -8.855 81.457 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.493 -8.352 79.814 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.460 -7.116 80.603 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.135 -5.981 80.435 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.617 -6.370 82.928 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.112 -7.279 83.026 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.704 -4.346 82.808 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.048 -5.231 83.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.863 -4.129 81.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.732 -5.765 81.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.565 -4.649 80.623 1.00 0.00 H new ATOM 586 N PRO A 38 5.572 -9.388 82.931 1.00 0.00 N ATOM 587 CA PRO A 38 5.272 -9.890 84.299 1.00 0.00 C ATOM 588 C PRO A 38 6.518 -9.985 85.225 1.00 0.00 C ATOM 589 O PRO A 38 6.544 -10.793 86.140 1.00 0.00 O ATOM 590 CB PRO A 38 4.680 -11.299 84.031 1.00 0.00 C ATOM 591 CG PRO A 38 5.069 -11.701 82.576 1.00 0.00 C ATOM 592 CD PRO A 38 5.691 -10.454 81.900 1.00 0.00 C ATOM 0 HA PRO A 38 4.605 -9.212 84.832 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.072 -12.022 84.746 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.596 -11.289 84.149 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.779 -12.528 82.583 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.192 -12.039 82.024 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.731 -10.627 81.623 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.158 -10.188 80.987 1.00 0.00 H new ATOM 600 N LEU A 39 7.542 -9.166 85.035 1.00 0.00 N ATOM 601 CA LEU A 39 8.754 -9.236 85.934 1.00 0.00 C ATOM 602 C LEU A 39 8.907 -7.941 86.760 1.00 0.00 C ATOM 603 O LEU A 39 9.482 -7.947 87.832 1.00 0.00 O ATOM 604 CB LEU A 39 10.010 -9.396 85.046 1.00 0.00 C ATOM 605 CG LEU A 39 11.239 -10.109 85.749 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.939 -10.758 87.119 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.731 -11.206 84.825 1.00 0.00 C ATOM 0 H LEU A 39 7.589 -8.458 84.302 1.00 0.00 H new ATOM 0 HA LEU A 39 8.637 -10.078 86.617 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.738 -9.965 84.157 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.326 -8.409 84.708 1.00 0.00 H new ATOM 0 HG LEU A 39 11.970 -9.323 85.937 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.847 -11.217 87.511 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.589 -9.995 87.814 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.170 -11.521 87.000 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.579 -11.715 85.284 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.928 -11.922 84.651 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.040 -10.770 83.875 1.00 0.00 H new ATOM 619 N HIS A 40 8.433 -6.836 86.259 1.00 0.00 N ATOM 620 CA HIS A 40 8.601 -5.554 87.004 1.00 0.00 C ATOM 621 C HIS A 40 7.719 -5.588 88.255 1.00 0.00 C ATOM 622 O HIS A 40 8.094 -5.103 89.301 1.00 0.00 O ATOM 623 CB HIS A 40 8.180 -4.382 86.111 1.00 0.00 C ATOM 624 CG HIS A 40 8.513 -3.094 86.790 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.732 -3.029 88.149 1.00 0.00 N ATOM 626 CD2 HIS A 40 8.660 -1.815 86.322 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.996 -1.755 88.458 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.964 -0.972 87.383 1.00 0.00 N ATOM 0 H HIS A 40 7.938 -6.763 85.370 1.00 0.00 H new ATOM 0 HA HIS A 40 9.645 -5.428 87.291 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.691 -4.441 85.150 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.110 -4.432 85.907 1.00 0.00 H new ATOM 0 HD1 HIS A 40 8.699 -3.812 88.802 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.556 -1.510 85.291 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.209 -1.405 89.457 1.00 0.00 H new ATOM 636 N TYR A 41 6.562 -6.178 88.155 1.00 0.00 N ATOM 637 CA TYR A 41 5.649 -6.272 89.340 1.00 0.00 C ATOM 638 C TYR A 41 6.210 -7.316 90.299 1.00 0.00 C ATOM 639 O TYR A 41 6.283 -7.115 91.495 1.00 0.00 O ATOM 640 CB TYR A 41 4.267 -6.699 88.855 1.00 0.00 C ATOM 641 CG TYR A 41 3.872 -5.812 87.718 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.320 -6.122 86.431 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.080 -4.685 87.935 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.977 -5.301 85.351 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.731 -3.859 86.851 1.00 0.00 C ATOM 646 CZ TYR A 41 3.186 -4.167 85.561 1.00 0.00 C ATOM 647 OH TYR A 41 2.871 -3.346 84.498 1.00 0.00 O ATOM 0 H TYR A 41 6.202 -6.603 87.301 1.00 0.00 H new ATOM 0 HA TYR A 41 5.573 -5.312 89.850 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.282 -7.741 88.536 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.541 -6.624 89.665 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.932 -6.997 86.270 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.736 -4.447 88.931 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.323 -5.543 84.357 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.113 -2.988 87.012 1.00 0.00 H new ATOM 0 HH TYR A 41 2.772 -2.424 84.815 1.00 0.00 H new ATOM 657 N ALA A 42 6.641 -8.419 89.755 1.00 0.00 N ATOM 658 CA ALA A 42 7.244 -9.485 90.586 1.00 0.00 C ATOM 659 C ALA A 42 8.557 -8.929 91.134 1.00 0.00 C ATOM 660 O ALA A 42 8.738 -8.762 92.315 1.00 0.00 O ATOM 661 CB ALA A 42 7.490 -10.718 89.680 1.00 0.00 C ATOM 0 H ALA A 42 6.598 -8.625 88.757 1.00 0.00 H new ATOM 0 HA ALA A 42 6.602 -9.788 91.413 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.935 -11.520 90.269 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.542 -11.058 89.263 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.166 -10.445 88.870 1.00 0.00 H new ATOM 667 N ALA A 43 9.468 -8.620 90.280 1.00 0.00 N ATOM 668 CA ALA A 43 10.759 -8.047 90.745 1.00 0.00 C ATOM 669 C ALA A 43 10.499 -6.908 91.764 1.00 0.00 C ATOM 670 O ALA A 43 10.898 -6.980 92.909 1.00 0.00 O ATOM 671 CB ALA A 43 11.497 -7.481 89.540 1.00 0.00 C ATOM 0 H ALA A 43 9.383 -8.737 89.270 1.00 0.00 H new ATOM 0 HA ALA A 43 11.353 -8.824 91.227 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.448 -7.056 89.862 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.682 -8.278 88.819 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.891 -6.704 89.074 1.00 0.00 H new ATOM 677 N ASP A 44 9.849 -5.851 91.346 1.00 0.00 N ATOM 678 CA ASP A 44 9.581 -4.697 92.254 1.00 0.00 C ATOM 679 C ASP A 44 8.758 -5.090 93.489 1.00 0.00 C ATOM 680 O ASP A 44 8.811 -4.425 94.500 1.00 0.00 O ATOM 681 CB ASP A 44 8.819 -3.632 91.470 1.00 0.00 C ATOM 682 CG ASP A 44 8.820 -2.318 92.255 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.072 -2.213 93.212 1.00 0.00 O ATOM 684 OD2 ASP A 44 9.557 -1.436 91.883 1.00 0.00 O ATOM 0 H ASP A 44 9.488 -5.739 90.399 1.00 0.00 H new ATOM 0 HA ASP A 44 10.542 -4.325 92.610 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.281 -3.485 90.494 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.795 -3.960 91.292 1.00 0.00 H new ATOM 689 N CYS A 45 7.996 -6.137 93.432 1.00 0.00 N ATOM 690 CA CYS A 45 7.170 -6.509 94.617 1.00 0.00 C ATOM 691 C CYS A 45 6.659 -7.944 94.442 1.00 0.00 C ATOM 692 O CYS A 45 5.462 -8.204 94.404 1.00 0.00 O ATOM 693 CB CYS A 45 5.986 -5.513 94.732 1.00 0.00 C ATOM 694 SG CYS A 45 5.781 -4.604 93.169 1.00 0.00 S ATOM 0 H CYS A 45 7.905 -6.752 92.624 1.00 0.00 H new ATOM 0 HA CYS A 45 7.764 -6.460 95.530 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.069 -6.052 94.972 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.167 -4.813 95.548 1.00 0.00 H new ATOM 0 HG CYS A 45 5.920 -5.423 92.169 1.00 0.00 H new ATOM 700 N GLY A 46 7.564 -8.872 94.317 1.00 0.00 N ATOM 701 CA GLY A 46 7.174 -10.312 94.126 1.00 0.00 C ATOM 702 C GLY A 46 7.635 -11.139 95.326 1.00 0.00 C ATOM 703 O GLY A 46 7.899 -12.323 95.202 1.00 0.00 O ATOM 0 H GLY A 46 8.569 -8.701 94.338 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.093 -10.393 94.011 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.622 -10.701 93.212 1.00 0.00 H new ATOM 707 N GLN A 47 7.792 -10.529 96.480 1.00 0.00 N ATOM 708 CA GLN A 47 8.289 -11.301 97.663 1.00 0.00 C ATOM 709 C GLN A 47 9.567 -12.031 97.248 1.00 0.00 C ATOM 710 O GLN A 47 10.068 -12.907 97.931 1.00 0.00 O ATOM 711 CB GLN A 47 7.227 -12.310 98.116 1.00 0.00 C ATOM 712 CG GLN A 47 6.093 -11.590 98.858 1.00 0.00 C ATOM 713 CD GLN A 47 5.480 -10.512 97.958 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.273 -10.774 96.704 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.193 -9.423 98.399 1.00 0.00 N flip ATOM 0 H GLN A 47 7.600 -9.542 96.651 1.00 0.00 H new ATOM 0 HA GLN A 47 8.494 -10.628 98.495 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.827 -12.840 97.252 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.680 -13.058 98.767 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.327 -12.307 99.153 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.476 -11.137 99.773 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.354 -9.213 99.384 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.790 -8.715 97.786 1.00 0.00 H new ATOM 724 N LEU A 48 10.091 -11.629 96.130 1.00 0.00 N ATOM 725 CA LEU A 48 11.346 -12.201 95.576 1.00 0.00 C ATOM 726 C LEU A 48 11.211 -13.690 95.245 1.00 0.00 C ATOM 727 O LEU A 48 12.163 -14.335 94.868 1.00 0.00 O ATOM 728 CB LEU A 48 12.492 -11.954 96.550 1.00 0.00 C ATOM 729 CG LEU A 48 13.002 -10.462 96.526 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.231 -9.519 95.563 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.915 -9.883 97.935 1.00 0.00 C ATOM 0 H LEU A 48 9.682 -10.895 95.552 1.00 0.00 H new ATOM 0 HA LEU A 48 11.560 -11.697 94.634 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.166 -12.206 97.559 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.320 -12.620 96.307 1.00 0.00 H new ATOM 0 HG LEU A 48 14.026 -10.509 96.154 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.656 -8.517 95.618 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.315 -9.893 94.543 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.180 -9.484 95.851 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.266 -8.851 97.927 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.880 -9.912 98.277 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.536 -10.472 98.609 1.00 0.00 H new ATOM 743 N GLU A 49 10.037 -14.222 95.347 1.00 0.00 N ATOM 744 CA GLU A 49 9.792 -15.647 95.005 1.00 0.00 C ATOM 745 C GLU A 49 9.160 -15.686 93.627 1.00 0.00 C ATOM 746 O GLU A 49 9.445 -16.551 92.811 1.00 0.00 O ATOM 747 CB GLU A 49 8.846 -16.250 96.040 1.00 0.00 C ATOM 748 CG GLU A 49 9.033 -15.527 97.370 1.00 0.00 C ATOM 749 CD GLU A 49 8.370 -16.328 98.490 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.198 -16.117 98.747 1.00 0.00 O ATOM 751 OE2 GLU A 49 9.061 -17.140 99.075 1.00 0.00 O ATOM 0 H GLU A 49 9.209 -13.717 95.662 1.00 0.00 H new ATOM 0 HA GLU A 49 10.719 -16.220 95.005 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.813 -16.158 95.704 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.048 -17.314 96.159 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.095 -15.401 97.580 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.598 -14.529 97.317 1.00 0.00 H new ATOM 758 N ILE A 50 8.280 -14.755 93.374 1.00 0.00 N ATOM 759 CA ILE A 50 7.593 -14.718 92.070 1.00 0.00 C ATOM 760 C ILE A 50 8.603 -14.514 90.945 1.00 0.00 C ATOM 761 O ILE A 50 8.627 -15.262 89.992 1.00 0.00 O ATOM 762 CB ILE A 50 6.568 -13.571 92.072 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.646 -13.697 93.346 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.784 -13.616 90.759 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.119 -13.628 93.040 1.00 0.00 C ATOM 0 H ILE A 50 8.012 -14.017 94.025 1.00 0.00 H new ATOM 0 HA ILE A 50 7.081 -15.666 91.905 1.00 0.00 H new ATOM 0 HB ILE A 50 7.058 -12.599 92.131 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.863 -14.641 93.845 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.901 -12.901 94.045 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.052 -12.808 90.744 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.471 -13.499 89.921 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.270 -14.573 90.675 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.557 -13.722 93.969 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.885 -12.673 92.570 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.846 -14.440 92.367 1.00 0.00 H new ATOM 777 N LEU A 51 9.420 -13.500 91.022 1.00 0.00 N ATOM 778 CA LEU A 51 10.374 -13.253 89.912 1.00 0.00 C ATOM 779 C LEU A 51 11.055 -14.574 89.503 1.00 0.00 C ATOM 780 O LEU A 51 11.007 -14.963 88.352 1.00 0.00 O ATOM 781 CB LEU A 51 11.423 -12.139 90.216 1.00 0.00 C ATOM 782 CG LEU A 51 11.641 -11.867 91.714 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.355 -11.387 92.414 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.216 -13.126 92.373 1.00 0.00 C ATOM 0 H LEU A 51 9.467 -12.840 91.798 1.00 0.00 H new ATOM 0 HA LEU A 51 9.791 -12.870 89.074 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.376 -12.421 89.767 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.105 -11.215 89.733 1.00 0.00 H new ATOM 0 HG LEU A 51 12.356 -11.051 91.821 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.560 -11.208 93.470 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.011 -10.463 91.950 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.582 -12.150 92.319 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.373 -12.941 93.436 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.517 -13.953 92.248 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.167 -13.380 91.904 1.00 0.00 H new ATOM 796 N GLU A 52 11.671 -15.272 90.413 1.00 0.00 N ATOM 797 CA GLU A 52 12.325 -16.563 90.039 1.00 0.00 C ATOM 798 C GLU A 52 11.327 -17.492 89.334 1.00 0.00 C ATOM 799 O GLU A 52 11.711 -18.319 88.548 1.00 0.00 O ATOM 800 CB GLU A 52 12.833 -17.316 91.293 1.00 0.00 C ATOM 801 CG GLU A 52 13.539 -16.391 92.282 1.00 0.00 C ATOM 802 CD GLU A 52 13.983 -17.211 93.509 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.320 -18.375 93.335 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.977 -16.662 94.605 1.00 0.00 O ATOM 0 H GLU A 52 11.752 -15.010 91.395 1.00 0.00 H new ATOM 0 HA GLU A 52 13.157 -16.313 89.381 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.991 -17.799 91.789 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.518 -18.106 90.986 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.403 -15.924 91.809 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.870 -15.587 92.589 1.00 0.00 H new ATOM 811 N PHE A 53 10.067 -17.417 89.662 1.00 0.00 N ATOM 812 CA PHE A 53 9.073 -18.356 89.062 1.00 0.00 C ATOM 813 C PHE A 53 8.889 -18.166 87.555 1.00 0.00 C ATOM 814 O PHE A 53 9.382 -18.918 86.758 1.00 0.00 O ATOM 815 CB PHE A 53 7.731 -18.162 89.765 1.00 0.00 C ATOM 816 CG PHE A 53 6.678 -19.022 89.111 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.822 -20.405 89.121 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.560 -18.438 88.510 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.849 -21.215 88.536 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.588 -19.241 87.923 1.00 0.00 C ATOM 821 CZ PHE A 53 4.733 -20.639 87.935 1.00 0.00 C ATOM 0 H PHE A 53 9.680 -16.743 90.323 1.00 0.00 H new ATOM 0 HA PHE A 53 9.456 -19.367 89.203 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.822 -18.423 90.819 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.436 -17.114 89.720 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.689 -20.853 89.583 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.451 -17.364 88.501 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.961 -22.289 88.549 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.723 -18.791 87.459 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.980 -21.265 87.479 1.00 0.00 H new ATOM 831 N LEU A 54 8.101 -17.221 87.152 1.00 0.00 N ATOM 832 CA LEU A 54 7.847 -17.067 85.700 1.00 0.00 C ATOM 833 C LEU A 54 9.163 -17.011 84.899 1.00 0.00 C ATOM 834 O LEU A 54 9.162 -17.034 83.684 1.00 0.00 O ATOM 835 CB LEU A 54 6.960 -15.827 85.455 1.00 0.00 C ATOM 836 CG LEU A 54 7.616 -14.461 85.816 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.549 -14.587 86.999 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.419 -13.883 84.641 1.00 0.00 C ATOM 0 H LEU A 54 7.624 -16.553 87.757 1.00 0.00 H new ATOM 0 HA LEU A 54 7.309 -17.944 85.340 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.673 -15.807 84.404 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.043 -15.936 86.034 1.00 0.00 H new ATOM 0 HG LEU A 54 6.792 -13.791 86.062 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.988 -13.614 87.221 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.991 -14.940 87.866 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.342 -15.297 86.763 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.860 -12.930 84.935 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.211 -14.579 84.364 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.757 -13.729 83.789 1.00 0.00 H new ATOM 850 N LEU A 55 10.282 -16.947 85.575 1.00 0.00 N ATOM 851 CA LEU A 55 11.606 -16.892 84.886 1.00 0.00 C ATOM 852 C LEU A 55 12.095 -18.314 84.616 1.00 0.00 C ATOM 853 O LEU A 55 12.603 -18.620 83.563 1.00 0.00 O ATOM 854 CB LEU A 55 12.580 -16.165 85.826 1.00 0.00 C ATOM 855 CG LEU A 55 13.756 -15.592 85.032 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.621 -14.753 85.979 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.587 -16.738 84.410 1.00 0.00 C ATOM 0 H LEU A 55 10.334 -16.930 86.594 1.00 0.00 H new ATOM 0 HA LEU A 55 11.534 -16.367 83.934 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.060 -15.362 86.349 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.947 -16.856 86.585 1.00 0.00 H new ATOM 0 HG LEU A 55 13.388 -14.964 84.221 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.465 -14.337 85.428 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.023 -13.942 86.395 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.991 -15.383 86.788 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.421 -16.319 83.847 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.970 -17.381 85.202 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.956 -17.323 83.741 1.00 0.00 H new ATOM 869 N LEU A 56 11.945 -19.192 85.555 1.00 0.00 N ATOM 870 CA LEU A 56 12.421 -20.588 85.309 1.00 0.00 C ATOM 871 C LEU A 56 11.651 -21.214 84.139 1.00 0.00 C ATOM 872 O LEU A 56 12.165 -22.071 83.439 1.00 0.00 O ATOM 873 CB LEU A 56 12.374 -21.485 86.565 1.00 0.00 C ATOM 874 CG LEU A 56 11.171 -21.199 87.462 1.00 0.00 C ATOM 875 CD1 LEU A 56 9.906 -21.839 86.882 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.432 -21.753 88.871 1.00 0.00 C ATOM 0 H LEU A 56 11.524 -19.019 86.468 1.00 0.00 H new ATOM 0 HA LEU A 56 13.476 -20.519 85.042 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.349 -22.530 86.257 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.290 -21.344 87.139 1.00 0.00 H new ATOM 0 HG LEU A 56 11.024 -20.120 87.516 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.059 -21.625 87.534 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.713 -21.430 85.890 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.045 -22.918 86.809 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.572 -21.547 89.508 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.592 -22.830 88.815 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.317 -21.276 89.291 1.00 0.00 H new ATOM 888 N LYS A 57 10.443 -20.783 83.886 1.00 0.00 N ATOM 889 CA LYS A 57 9.704 -21.336 82.727 1.00 0.00 C ATOM 890 C LYS A 57 10.371 -20.753 81.472 1.00 0.00 C ATOM 891 O LYS A 57 11.304 -21.312 80.930 1.00 0.00 O ATOM 892 CB LYS A 57 8.212 -20.912 82.814 1.00 0.00 C ATOM 893 CG LYS A 57 7.315 -22.126 83.091 1.00 0.00 C ATOM 894 CD LYS A 57 7.433 -22.556 84.556 1.00 0.00 C ATOM 895 CE LYS A 57 6.320 -23.566 84.869 1.00 0.00 C ATOM 896 NZ LYS A 57 5.020 -22.851 85.028 1.00 0.00 N ATOM 0 H LYS A 57 9.945 -20.078 84.430 1.00 0.00 H new ATOM 0 HA LYS A 57 9.733 -22.425 82.704 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.085 -20.173 83.605 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.910 -20.436 81.881 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.278 -21.880 82.860 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.599 -22.952 82.439 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.410 -23.003 84.740 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.350 -21.689 85.211 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.246 -24.300 84.067 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.559 -24.113 85.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.547 -23.178 85.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.192 -21.827 85.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.413 -23.048 84.207 1.00 0.00 H new ATOM 910 N GLY A 58 9.933 -19.598 81.042 1.00 0.00 N ATOM 911 CA GLY A 58 10.573 -18.941 79.876 1.00 0.00 C ATOM 912 C GLY A 58 11.698 -18.083 80.417 1.00 0.00 C ATOM 913 O GLY A 58 12.646 -18.584 80.994 1.00 0.00 O ATOM 0 H GLY A 58 9.155 -19.083 81.454 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.956 -19.684 79.176 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.851 -18.333 79.331 1.00 0.00 H new ATOM 917 N ALA A 59 11.579 -16.796 80.295 1.00 0.00 N ATOM 918 CA ALA A 59 12.635 -15.901 80.847 1.00 0.00 C ATOM 919 C ALA A 59 12.432 -14.476 80.374 1.00 0.00 C ATOM 920 O ALA A 59 13.052 -14.015 79.433 1.00 0.00 O ATOM 921 CB ALA A 59 14.007 -16.400 80.430 1.00 0.00 C ATOM 0 H ALA A 59 10.800 -16.322 79.839 1.00 0.00 H new ATOM 0 HA ALA A 59 12.566 -15.914 81.935 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.773 -15.741 80.837 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.158 -17.410 80.811 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.076 -16.408 79.342 1.00 0.00 H new ATOM 927 N ASP A 60 11.603 -13.768 81.072 1.00 0.00 N ATOM 928 CA ASP A 60 11.377 -12.346 80.738 1.00 0.00 C ATOM 929 C ASP A 60 12.584 -11.598 81.282 1.00 0.00 C ATOM 930 O ASP A 60 12.688 -10.388 81.205 1.00 0.00 O ATOM 931 CB ASP A 60 10.086 -11.834 81.394 1.00 0.00 C ATOM 932 CG ASP A 60 9.765 -10.453 80.830 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.356 -9.494 81.305 1.00 0.00 O ATOM 934 OD2 ASP A 60 8.942 -10.373 79.941 1.00 0.00 O ATOM 0 H ASP A 60 11.067 -14.117 81.867 1.00 0.00 H new ATOM 0 HA ASP A 60 11.264 -12.201 79.664 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.264 -12.522 81.198 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.207 -11.781 82.476 1.00 0.00 H new ATOM 939 N ILE A 61 13.497 -12.347 81.833 1.00 0.00 N ATOM 940 CA ILE A 61 14.730 -11.775 82.418 1.00 0.00 C ATOM 941 C ILE A 61 15.366 -10.791 81.455 1.00 0.00 C ATOM 942 O ILE A 61 16.079 -9.894 81.855 1.00 0.00 O ATOM 943 CB ILE A 61 15.678 -12.940 82.645 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.836 -12.501 83.543 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.216 -13.479 81.297 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.815 -13.653 83.711 1.00 0.00 C ATOM 0 H ILE A 61 13.432 -13.363 81.901 1.00 0.00 H new ATOM 0 HA ILE A 61 14.509 -11.244 83.344 1.00 0.00 H new ATOM 0 HB ILE A 61 15.131 -13.744 83.138 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.343 -11.640 83.106 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.457 -12.188 84.516 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.893 -14.313 81.483 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.382 -13.818 80.682 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.752 -12.686 80.776 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.640 -13.339 84.351 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.304 -14.501 84.167 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.204 -13.945 82.736 1.00 0.00 H new ATOM 958 N ASN A 62 15.130 -10.970 80.185 1.00 0.00 N ATOM 959 CA ASN A 62 15.738 -10.070 79.173 1.00 0.00 C ATOM 960 C ASN A 62 14.717 -9.710 78.086 1.00 0.00 C ATOM 961 O ASN A 62 14.827 -8.670 77.471 1.00 0.00 O ATOM 962 CB ASN A 62 16.927 -10.799 78.554 1.00 0.00 C ATOM 963 CG ASN A 62 16.457 -12.147 77.968 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.242 -12.564 78.203 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.202 -12.822 77.295 1.00 0.00 N flip ATOM 0 H ASN A 62 14.537 -11.708 79.805 1.00 0.00 H new ATOM 0 HA ASN A 62 16.061 -9.142 79.645 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.375 -10.187 77.771 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.697 -10.967 79.307 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.152 -12.501 77.108 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.880 -13.712 76.914 1.00 0.00 H new ATOM 972 N ALA A 63 13.719 -10.552 77.879 1.00 0.00 N ATOM 973 CA ALA A 63 12.633 -10.269 76.854 1.00 0.00 C ATOM 974 C ALA A 63 12.566 -8.790 76.394 1.00 0.00 C ATOM 975 O ALA A 63 12.713 -8.524 75.214 1.00 0.00 O ATOM 976 CB ALA A 63 11.250 -10.717 77.350 1.00 0.00 C ATOM 0 H ALA A 63 13.606 -11.433 78.379 1.00 0.00 H new ATOM 0 HA ALA A 63 12.918 -10.860 75.984 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.502 -10.497 76.589 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.264 -11.789 77.547 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.002 -10.183 78.267 1.00 0.00 H new ATOM 982 N PRO A 64 12.320 -7.862 77.322 1.00 0.00 N ATOM 983 CA PRO A 64 12.209 -6.418 77.048 1.00 0.00 C ATOM 984 C PRO A 64 12.536 -5.998 75.613 1.00 0.00 C ATOM 985 O PRO A 64 13.572 -6.318 75.072 1.00 0.00 O ATOM 986 CB PRO A 64 13.114 -5.834 78.127 1.00 0.00 C ATOM 987 CG PRO A 64 13.016 -6.854 79.317 1.00 0.00 C ATOM 988 CD PRO A 64 12.224 -8.084 78.778 1.00 0.00 C ATOM 0 HA PRO A 64 11.186 -6.045 77.099 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.140 -5.734 77.773 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.783 -4.840 78.428 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.008 -7.150 79.658 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.506 -6.407 80.170 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.673 -9.030 79.082 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.191 -8.095 79.127 1.00 0.00 H new ATOM 996 N ASP A 65 11.652 -5.247 75.021 1.00 0.00 N ATOM 997 CA ASP A 65 11.854 -4.734 73.632 1.00 0.00 C ATOM 998 C ASP A 65 11.399 -3.278 73.602 1.00 0.00 C ATOM 999 O ASP A 65 11.971 -2.431 72.939 1.00 0.00 O ATOM 1000 CB ASP A 65 10.980 -5.547 72.669 1.00 0.00 C ATOM 1001 CG ASP A 65 11.663 -6.876 72.376 1.00 0.00 C ATOM 1002 OD1 ASP A 65 12.838 -6.847 72.084 1.00 0.00 O ATOM 1003 OD2 ASP A 65 10.997 -7.894 72.446 1.00 0.00 O ATOM 0 H ASP A 65 10.773 -4.958 75.451 1.00 0.00 H new ATOM 0 HA ASP A 65 12.900 -4.818 73.338 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.997 -5.718 73.107 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.824 -4.992 71.744 1.00 0.00 H new ATOM 1008 N LYS A 66 10.347 -2.997 74.308 1.00 0.00 N ATOM 1009 CA LYS A 66 9.785 -1.626 74.360 1.00 0.00 C ATOM 1010 C LYS A 66 10.438 -0.860 75.511 1.00 0.00 C ATOM 1011 O LYS A 66 10.776 0.308 75.402 1.00 0.00 O ATOM 1012 CB LYS A 66 8.285 -1.772 74.588 1.00 0.00 C ATOM 1013 CG LYS A 66 7.563 -0.475 74.249 1.00 0.00 C ATOM 1014 CD LYS A 66 7.868 0.605 75.303 1.00 0.00 C ATOM 1015 CE LYS A 66 6.656 1.545 75.506 1.00 0.00 C ATOM 1016 NZ LYS A 66 6.086 1.950 74.182 1.00 0.00 N ATOM 0 H LYS A 66 9.838 -3.681 74.868 1.00 0.00 H new ATOM 0 HA LYS A 66 9.974 -1.074 73.439 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.895 -2.583 73.973 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.094 -2.040 75.627 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.872 -0.127 73.263 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.488 -0.652 74.202 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.126 0.131 76.250 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.735 1.187 74.991 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.893 1.042 76.100 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.963 2.430 76.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.575 2.850 74.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.856 2.066 73.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.430 1.216 73.847 1.00 0.00 H new ATOM 1030 N HIS A 67 10.665 -1.531 76.603 1.00 0.00 N ATOM 1031 CA HIS A 67 11.312 -0.890 77.770 1.00 0.00 C ATOM 1032 C HIS A 67 12.811 -0.793 77.496 1.00 0.00 C ATOM 1033 O HIS A 67 13.514 -0.027 78.112 1.00 0.00 O ATOM 1034 CB HIS A 67 11.086 -1.793 79.006 1.00 0.00 C ATOM 1035 CG HIS A 67 9.728 -1.534 79.609 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.468 -0.423 80.395 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.553 -2.229 79.545 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.173 -0.490 80.764 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.576 -1.568 80.271 1.00 0.00 N ATOM 0 H HIS A 67 10.424 -2.513 76.735 1.00 0.00 H new ATOM 0 HA HIS A 67 10.897 0.102 77.946 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.168 -2.841 78.718 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.862 -1.604 79.748 1.00 0.00 H new ATOM 0 HD1 HIS A 67 10.132 0.309 80.647 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.408 -3.155 79.009 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.681 0.244 81.385 1.00 0.00 H new ATOM 1047 N HIS A 68 13.312 -1.567 76.588 1.00 0.00 N ATOM 1048 CA HIS A 68 14.771 -1.521 76.321 1.00 0.00 C ATOM 1049 C HIS A 68 15.500 -1.712 77.658 1.00 0.00 C ATOM 1050 O HIS A 68 16.516 -1.084 77.918 1.00 0.00 O ATOM 1051 CB HIS A 68 15.168 -0.168 75.701 1.00 0.00 C ATOM 1052 CG HIS A 68 14.042 0.369 74.869 1.00 0.00 C ATOM 1053 ND1 HIS A 68 13.445 -0.387 73.881 1.00 0.00 N ATOM 1054 CD2 HIS A 68 13.397 1.586 74.854 1.00 0.00 C ATOM 1055 CE1 HIS A 68 12.488 0.367 73.309 1.00 0.00 C ATOM 1056 NE2 HIS A 68 12.412 1.579 73.865 1.00 0.00 N ATOM 0 H HIS A 68 12.781 -2.227 76.020 1.00 0.00 H new ATOM 0 HA HIS A 68 15.043 -2.307 75.616 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.419 0.542 76.489 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.059 -0.289 75.086 1.00 0.00 H new ATOM 0 HD1 HIS A 68 13.686 -1.346 73.629 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.619 2.417 75.507 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.858 0.032 72.498 1.00 0.00 H new ATOM 1064 N ILE A 69 14.976 -2.562 78.530 1.00 0.00 N ATOM 1065 CA ILE A 69 15.645 -2.760 79.844 1.00 0.00 C ATOM 1066 C ILE A 69 15.571 -4.176 80.329 1.00 0.00 C ATOM 1067 O ILE A 69 14.845 -5.017 79.866 1.00 0.00 O ATOM 1068 CB ILE A 69 15.078 -1.768 80.899 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.217 -0.878 81.421 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.376 -2.469 82.109 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.302 -1.708 82.089 1.00 0.00 C ATOM 0 H ILE A 69 14.130 -3.111 78.380 1.00 0.00 H new ATOM 0 HA ILE A 69 16.704 -2.547 79.698 1.00 0.00 H new ATOM 0 HB ILE A 69 14.313 -1.178 80.393 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.646 -0.311 80.595 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.819 -0.154 82.132 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.006 -1.714 82.803 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.541 -3.069 81.747 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.091 -3.113 82.621 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.094 -1.051 82.448 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.876 -2.255 82.930 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.715 -2.414 81.369 1.00 0.00 H new ATOM 1083 N THR A 70 16.412 -4.395 81.264 1.00 0.00 N ATOM 1084 CA THR A 70 16.603 -5.684 81.906 1.00 0.00 C ATOM 1085 C THR A 70 16.076 -5.437 83.326 1.00 0.00 C ATOM 1086 O THR A 70 16.617 -4.628 84.025 1.00 0.00 O ATOM 1087 CB THR A 70 18.112 -5.949 81.860 1.00 0.00 C ATOM 1088 OG1 THR A 70 18.736 -5.488 83.018 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.698 -5.147 80.746 1.00 0.00 C ATOM 0 H THR A 70 17.023 -3.667 81.635 1.00 0.00 H new ATOM 0 HA THR A 70 16.102 -6.544 81.461 1.00 0.00 H new ATOM 0 HB THR A 70 18.261 -7.022 81.742 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.708 -5.507 82.896 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.773 -5.323 80.697 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.239 -5.444 79.803 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.511 -4.088 80.923 1.00 0.00 H new ATOM 1097 N PRO A 71 14.959 -6.017 83.665 1.00 0.00 N ATOM 1098 CA PRO A 71 14.306 -5.721 84.942 1.00 0.00 C ATOM 1099 C PRO A 71 15.160 -6.064 86.158 1.00 0.00 C ATOM 1100 O PRO A 71 14.815 -5.723 87.271 1.00 0.00 O ATOM 1101 CB PRO A 71 12.987 -6.529 84.910 1.00 0.00 C ATOM 1102 CG PRO A 71 12.870 -7.118 83.481 1.00 0.00 C ATOM 1103 CD PRO A 71 14.244 -6.980 82.824 1.00 0.00 C ATOM 0 HA PRO A 71 14.133 -4.650 85.049 1.00 0.00 H new ATOM 0 HB2 PRO A 71 12.999 -7.322 85.657 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.134 -5.890 85.138 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.565 -8.164 83.519 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.113 -6.585 82.906 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.764 -7.937 82.787 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.159 -6.624 81.797 1.00 0.00 H new ATOM 1111 N LEU A 72 16.288 -6.663 85.982 1.00 0.00 N ATOM 1112 CA LEU A 72 17.135 -6.920 87.164 1.00 0.00 C ATOM 1113 C LEU A 72 17.418 -5.548 87.789 1.00 0.00 C ATOM 1114 O LEU A 72 17.461 -5.391 88.996 1.00 0.00 O ATOM 1115 CB LEU A 72 18.436 -7.651 86.759 1.00 0.00 C ATOM 1116 CG LEU A 72 18.264 -8.500 85.477 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.009 -9.421 85.519 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.227 -7.566 84.258 1.00 0.00 C ATOM 0 H LEU A 72 16.659 -6.983 85.087 1.00 0.00 H new ATOM 0 HA LEU A 72 16.639 -7.573 87.882 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.227 -6.918 86.602 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.757 -8.296 87.577 1.00 0.00 H new ATOM 0 HG LEU A 72 19.119 -9.172 85.403 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.944 -9.990 84.592 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.090 -10.108 86.361 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.113 -8.810 85.633 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.106 -8.157 83.350 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.390 -6.874 84.355 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.159 -7.003 84.203 1.00 0.00 H new ATOM 1130 N LEU A 73 17.496 -4.546 86.946 1.00 0.00 N ATOM 1131 CA LEU A 73 17.655 -3.143 87.415 1.00 0.00 C ATOM 1132 C LEU A 73 16.336 -2.751 88.084 1.00 0.00 C ATOM 1133 O LEU A 73 16.260 -1.856 88.874 1.00 0.00 O ATOM 1134 CB LEU A 73 17.898 -2.242 86.211 1.00 0.00 C ATOM 1135 CG LEU A 73 19.315 -2.502 85.655 1.00 0.00 C ATOM 1136 CD1 LEU A 73 19.234 -3.592 84.607 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.862 -1.233 85.036 1.00 0.00 C ATOM 0 H LEU A 73 17.455 -4.650 85.932 1.00 0.00 H new ATOM 0 HA LEU A 73 18.492 -3.044 88.106 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.152 -2.436 85.441 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.794 -1.196 86.499 1.00 0.00 H new ATOM 0 HG LEU A 73 19.979 -2.814 86.461 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.229 -3.786 84.206 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.841 -4.503 85.059 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.573 -3.273 83.801 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.862 -1.421 84.645 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.209 -0.913 84.224 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.910 -0.450 85.793 1.00 0.00 H new ATOM 1149 N SER A 74 15.279 -3.424 87.748 1.00 0.00 N ATOM 1150 CA SER A 74 13.966 -3.086 88.355 1.00 0.00 C ATOM 1151 C SER A 74 14.039 -3.187 89.900 1.00 0.00 C ATOM 1152 O SER A 74 13.650 -2.274 90.627 1.00 0.00 O ATOM 1153 CB SER A 74 12.876 -4.033 87.811 1.00 0.00 C ATOM 1154 OG SER A 74 12.772 -5.194 88.628 1.00 0.00 O ATOM 0 H SER A 74 15.265 -4.194 87.079 1.00 0.00 H new ATOM 0 HA SER A 74 13.712 -2.060 88.088 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.917 -3.515 87.781 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.114 -4.322 86.787 1.00 0.00 H new ATOM 0 HG SER A 74 13.536 -5.783 88.458 1.00 0.00 H new ATOM 1160 N ALA A 75 14.547 -4.293 90.410 1.00 0.00 N ATOM 1161 CA ALA A 75 14.646 -4.467 91.902 1.00 0.00 C ATOM 1162 C ALA A 75 15.695 -3.511 92.460 1.00 0.00 C ATOM 1163 O ALA A 75 15.588 -3.032 93.574 1.00 0.00 O ATOM 1164 CB ALA A 75 15.030 -5.907 92.233 1.00 0.00 C ATOM 0 H ALA A 75 14.895 -5.078 89.860 1.00 0.00 H new ATOM 0 HA ALA A 75 13.679 -4.245 92.354 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.100 -6.026 93.314 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.271 -6.585 91.842 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.993 -6.140 91.780 1.00 0.00 H new ATOM 1170 N VAL A 76 16.702 -3.226 91.692 1.00 0.00 N ATOM 1171 CA VAL A 76 17.753 -2.292 92.149 1.00 0.00 C ATOM 1172 C VAL A 76 17.131 -1.067 92.802 1.00 0.00 C ATOM 1173 O VAL A 76 17.329 -0.814 93.972 1.00 0.00 O ATOM 1174 CB VAL A 76 18.568 -1.882 90.936 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.456 -0.670 91.233 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.397 -3.082 90.508 1.00 0.00 C ATOM 0 H VAL A 76 16.841 -3.606 90.756 1.00 0.00 H new ATOM 0 HA VAL A 76 18.389 -2.776 92.890 1.00 0.00 H new ATOM 0 HB VAL A 76 17.901 -1.578 90.129 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.024 -0.407 90.340 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.833 0.174 91.528 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.145 -0.913 92.042 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.995 -2.818 89.636 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.056 -3.379 91.324 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.735 -3.911 90.257 1.00 0.00 H new ATOM 1186 N TYR A 77 16.392 -0.297 92.066 1.00 0.00 N ATOM 1187 CA TYR A 77 15.774 0.905 92.680 1.00 0.00 C ATOM 1188 C TYR A 77 14.679 0.441 93.656 1.00 0.00 C ATOM 1189 O TYR A 77 13.614 1.025 93.712 1.00 0.00 O ATOM 1190 CB TYR A 77 15.142 1.795 91.584 1.00 0.00 C ATOM 1191 CG TYR A 77 15.929 1.679 90.296 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.022 2.510 90.054 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.552 0.727 89.339 1.00 0.00 C ATOM 1194 CE1 TYR A 77 17.738 2.382 88.858 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.270 0.606 88.149 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.365 1.431 87.909 1.00 0.00 C ATOM 1197 OH TYR A 77 18.081 1.309 86.731 1.00 0.00 O ATOM 0 H TYR A 77 16.189 -0.443 91.077 1.00 0.00 H new ATOM 0 HA TYR A 77 16.534 1.483 93.206 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.108 1.496 91.415 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.123 2.833 91.915 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.315 3.249 90.785 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.703 0.085 89.523 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.585 3.024 88.669 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.976 -0.128 87.414 1.00 0.00 H new ATOM 0 HH TYR A 77 17.463 1.316 85.970 1.00 0.00 H new ATOM 1207 N GLU A 78 14.904 -0.626 94.408 1.00 0.00 N ATOM 1208 CA GLU A 78 13.823 -1.132 95.337 1.00 0.00 C ATOM 1209 C GLU A 78 14.384 -1.386 96.733 1.00 0.00 C ATOM 1210 O GLU A 78 13.674 -1.289 97.718 1.00 0.00 O ATOM 1211 CB GLU A 78 13.293 -2.465 94.788 1.00 0.00 C ATOM 1212 CG GLU A 78 11.863 -2.705 95.295 1.00 0.00 C ATOM 1213 CD GLU A 78 10.904 -1.754 94.574 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.313 -1.176 93.575 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.770 -1.629 95.024 1.00 0.00 O ATOM 0 H GLU A 78 15.773 -1.159 94.419 1.00 0.00 H new ATOM 0 HA GLU A 78 13.034 -0.383 95.398 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.305 -2.450 93.698 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.942 -3.282 95.103 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.570 -3.740 95.116 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.814 -2.542 96.372 1.00 0.00 H new ATOM 1222 N GLY A 79 15.635 -1.751 96.824 1.00 0.00 N ATOM 1223 CA GLY A 79 16.222 -2.058 98.161 1.00 0.00 C ATOM 1224 C GLY A 79 16.050 -3.548 98.398 1.00 0.00 C ATOM 1225 O GLY A 79 16.611 -4.120 99.307 1.00 0.00 O ATOM 0 H GLY A 79 16.273 -1.850 96.035 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.276 -1.783 98.190 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.722 -1.484 98.941 1.00 0.00 H new ATOM 1229 N HIS A 80 15.288 -4.191 97.564 1.00 0.00 N ATOM 1230 CA HIS A 80 15.089 -5.652 97.717 1.00 0.00 C ATOM 1231 C HIS A 80 16.363 -6.379 97.307 1.00 0.00 C ATOM 1232 O HIS A 80 16.936 -7.115 98.082 1.00 0.00 O ATOM 1233 CB HIS A 80 13.944 -6.110 96.809 1.00 0.00 C ATOM 1234 CG HIS A 80 12.617 -5.971 97.496 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.739 -7.043 97.577 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.997 -4.927 98.127 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.646 -6.631 98.231 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.750 -5.342 98.594 1.00 0.00 N ATOM 0 H HIS A 80 14.793 -3.765 96.780 1.00 0.00 H new ATOM 0 HA HIS A 80 14.849 -5.877 98.756 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.945 -5.520 95.892 1.00 0.00 H new ATOM 0 HB3 HIS A 80 14.099 -7.149 96.520 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.409 -3.936 98.245 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.790 -7.255 98.440 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.063 -4.785 99.103 1.00 0.00 H new ATOM 1246 N VAL A 81 16.812 -6.150 96.098 1.00 0.00 N ATOM 1247 CA VAL A 81 18.056 -6.794 95.594 1.00 0.00 C ATOM 1248 C VAL A 81 18.283 -8.190 96.201 1.00 0.00 C ATOM 1249 O VAL A 81 19.367 -8.738 96.134 1.00 0.00 O ATOM 1250 CB VAL A 81 19.232 -5.825 95.832 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.333 -4.798 94.661 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.948 -5.021 97.098 1.00 0.00 C ATOM 0 H VAL A 81 16.356 -5.530 95.428 1.00 0.00 H new ATOM 0 HA VAL A 81 17.966 -6.980 94.524 1.00 0.00 H new ATOM 0 HB VAL A 81 20.152 -6.404 95.910 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.167 -4.120 94.842 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.495 -5.330 93.723 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.408 -4.225 94.598 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.770 -4.330 97.282 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.023 -4.459 96.972 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.848 -5.700 97.945 1.00 0.00 H new ATOM 1262 N SER A 82 17.239 -8.793 96.695 1.00 0.00 N ATOM 1263 CA SER A 82 17.320 -10.175 97.192 1.00 0.00 C ATOM 1264 C SER A 82 17.118 -10.995 95.922 1.00 0.00 C ATOM 1265 O SER A 82 17.528 -12.131 95.788 1.00 0.00 O ATOM 1266 CB SER A 82 16.203 -10.416 98.220 1.00 0.00 C ATOM 1267 OG SER A 82 16.802 -10.694 99.473 1.00 0.00 O ATOM 0 H SER A 82 16.315 -8.367 96.773 1.00 0.00 H new ATOM 0 HA SER A 82 18.250 -10.424 97.703 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.559 -9.539 98.293 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.573 -11.249 97.908 1.00 0.00 H new ATOM 0 HG SER A 82 16.103 -10.849 100.142 1.00 0.00 H new ATOM 1273 N CYS A 83 16.468 -10.372 94.973 1.00 0.00 N ATOM 1274 CA CYS A 83 16.205 -11.033 93.676 1.00 0.00 C ATOM 1275 C CYS A 83 17.451 -10.909 92.788 1.00 0.00 C ATOM 1276 O CYS A 83 18.041 -11.893 92.423 1.00 0.00 O ATOM 1277 CB CYS A 83 15.011 -10.340 93.015 1.00 0.00 C ATOM 1278 SG CYS A 83 14.936 -8.617 93.563 1.00 0.00 S ATOM 0 H CYS A 83 16.107 -9.421 95.050 1.00 0.00 H new ATOM 0 HA CYS A 83 15.979 -12.090 93.820 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.106 -10.384 91.930 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.087 -10.856 93.275 1.00 0.00 H new ATOM 0 HG CYS A 83 14.628 -8.576 94.825 1.00 0.00 H new ATOM 1284 N VAL A 84 17.874 -9.705 92.461 1.00 0.00 N ATOM 1285 CA VAL A 84 19.115 -9.533 91.592 1.00 0.00 C ATOM 1286 C VAL A 84 20.132 -10.623 91.911 1.00 0.00 C ATOM 1287 O VAL A 84 20.754 -11.189 91.044 1.00 0.00 O ATOM 1288 CB VAL A 84 19.778 -8.198 91.943 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.858 -7.041 91.560 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.088 -8.181 93.438 1.00 0.00 C ATOM 0 H VAL A 84 17.426 -8.835 92.750 1.00 0.00 H new ATOM 0 HA VAL A 84 18.818 -9.579 90.544 1.00 0.00 H new ATOM 0 HB VAL A 84 20.708 -8.083 91.386 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.338 -6.096 91.813 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.661 -7.072 90.488 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.918 -7.128 92.105 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.561 -7.235 93.701 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.163 -8.293 94.003 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.762 -9.003 93.679 1.00 0.00 H new ATOM 1300 N LYS A 85 20.313 -10.892 93.167 1.00 0.00 N ATOM 1301 CA LYS A 85 21.305 -11.903 93.582 1.00 0.00 C ATOM 1302 C LYS A 85 20.937 -13.289 93.029 1.00 0.00 C ATOM 1303 O LYS A 85 21.594 -13.794 92.144 1.00 0.00 O ATOM 1304 CB LYS A 85 21.381 -11.907 95.124 1.00 0.00 C ATOM 1305 CG LYS A 85 22.656 -11.189 95.584 1.00 0.00 C ATOM 1306 CD LYS A 85 22.663 -11.062 97.110 1.00 0.00 C ATOM 1307 CE LYS A 85 23.660 -9.969 97.525 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.021 -10.142 98.952 1.00 0.00 N ATOM 0 H LYS A 85 19.807 -10.446 93.932 1.00 0.00 H new ATOM 0 HA LYS A 85 22.285 -11.654 93.175 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.504 -11.413 95.542 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.376 -12.932 95.495 1.00 0.00 H new ATOM 0 HG2 LYS A 85 23.535 -11.742 95.253 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.711 -10.200 95.128 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.664 -10.815 97.470 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.939 -12.014 97.564 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.554 -10.023 96.904 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.222 -8.984 97.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.696 -9.402 99.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.165 -10.069 99.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.456 -11.077 99.089 1.00 0.00 H new ATOM 1322 N LEU A 86 19.917 -13.923 93.527 1.00 0.00 N ATOM 1323 CA LEU A 86 19.583 -15.280 92.984 1.00 0.00 C ATOM 1324 C LEU A 86 19.271 -15.151 91.476 1.00 0.00 C ATOM 1325 O LEU A 86 19.142 -16.132 90.754 1.00 0.00 O ATOM 1326 CB LEU A 86 18.431 -15.899 93.830 1.00 0.00 C ATOM 1327 CG LEU A 86 17.060 -15.936 93.114 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.665 -14.545 92.606 1.00 0.00 C ATOM 1329 CD2 LEU A 86 17.024 -16.986 91.975 1.00 0.00 C ATOM 0 H LEU A 86 19.308 -13.578 94.269 1.00 0.00 H new ATOM 0 HA LEU A 86 20.422 -15.970 93.066 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.708 -16.915 94.110 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.329 -15.330 94.754 1.00 0.00 H new ATOM 0 HG LEU A 86 16.320 -16.246 93.852 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.697 -14.601 92.107 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.600 -13.855 93.448 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.416 -14.188 91.902 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.042 -16.976 91.502 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.787 -16.746 91.234 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.218 -17.976 92.387 1.00 0.00 H new ATOM 1341 N LEU A 87 19.187 -13.935 90.991 1.00 0.00 N ATOM 1342 CA LEU A 87 18.894 -13.725 89.532 1.00 0.00 C ATOM 1343 C LEU A 87 20.097 -14.056 88.616 1.00 0.00 C ATOM 1344 O LEU A 87 20.014 -14.958 87.810 1.00 0.00 O ATOM 1345 CB LEU A 87 18.474 -12.257 89.300 1.00 0.00 C ATOM 1346 CG LEU A 87 17.084 -12.179 88.666 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.605 -10.732 88.671 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.136 -12.705 87.235 1.00 0.00 C ATOM 0 H LEU A 87 19.307 -13.082 91.536 1.00 0.00 H new ATOM 0 HA LEU A 87 18.089 -14.411 89.269 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.476 -11.720 90.249 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.201 -11.765 88.654 1.00 0.00 H new ATOM 0 HG LEU A 87 16.389 -12.791 89.241 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.615 -10.675 88.219 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.557 -10.368 89.697 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.300 -10.117 88.100 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.143 -12.647 86.790 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.832 -12.102 86.651 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.471 -13.742 87.241 1.00 0.00 H new ATOM 1360 N LEU A 88 21.200 -13.330 88.670 1.00 0.00 N ATOM 1361 CA LEU A 88 22.295 -13.666 87.715 1.00 0.00 C ATOM 1362 C LEU A 88 22.639 -15.130 87.835 1.00 0.00 C ATOM 1363 O LEU A 88 23.325 -15.693 87.002 1.00 0.00 O ATOM 1364 CB LEU A 88 23.540 -12.778 87.900 1.00 0.00 C ATOM 1365 CG LEU A 88 24.331 -13.094 89.186 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.369 -13.172 90.363 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.118 -14.420 89.059 1.00 0.00 C ATOM 0 H LEU A 88 21.377 -12.554 89.308 1.00 0.00 H new ATOM 0 HA LEU A 88 21.933 -13.464 86.707 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.197 -12.901 87.039 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.232 -11.733 87.919 1.00 0.00 H new ATOM 0 HG LEU A 88 25.054 -12.295 89.348 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.925 -13.395 91.273 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.855 -12.218 90.477 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.637 -13.959 90.183 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.663 -14.610 89.984 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.423 -15.239 88.873 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.823 -14.347 88.231 1.00 0.00 H new ATOM 1379 N SER A 89 22.140 -15.767 88.844 1.00 0.00 N ATOM 1380 CA SER A 89 22.416 -17.208 88.980 1.00 0.00 C ATOM 1381 C SER A 89 21.873 -17.891 87.721 1.00 0.00 C ATOM 1382 O SER A 89 22.252 -18.994 87.383 1.00 0.00 O ATOM 1383 CB SER A 89 21.726 -17.756 90.239 1.00 0.00 C ATOM 1384 OG SER A 89 22.631 -18.607 90.935 1.00 0.00 O ATOM 0 H SER A 89 21.558 -15.356 89.574 1.00 0.00 H new ATOM 0 HA SER A 89 23.485 -17.397 89.082 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.412 -16.935 90.883 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.827 -18.308 89.965 1.00 0.00 H new ATOM 0 HG SER A 89 22.196 -18.958 91.740 1.00 0.00 H new ATOM 1390 N LYS A 90 21.003 -17.214 87.013 1.00 0.00 N ATOM 1391 CA LYS A 90 20.426 -17.776 85.766 1.00 0.00 C ATOM 1392 C LYS A 90 21.062 -17.073 84.577 1.00 0.00 C ATOM 1393 O LYS A 90 20.901 -17.483 83.441 1.00 0.00 O ATOM 1394 CB LYS A 90 18.919 -17.507 85.759 1.00 0.00 C ATOM 1395 CG LYS A 90 18.202 -18.469 86.719 1.00 0.00 C ATOM 1396 CD LYS A 90 16.764 -17.947 87.019 1.00 0.00 C ATOM 1397 CE LYS A 90 16.694 -17.321 88.421 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.029 -18.360 89.431 1.00 0.00 N ATOM 0 H LYS A 90 20.667 -16.282 87.255 1.00 0.00 H new ATOM 0 HA LYS A 90 20.613 -18.848 85.710 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.725 -16.476 86.054 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.525 -17.629 84.750 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.152 -19.465 86.279 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.767 -18.558 87.647 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.477 -17.208 86.271 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.051 -18.768 86.946 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.390 -16.485 88.495 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.696 -16.923 88.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.277 -18.403 90.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.114 -19.285 88.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.931 -18.120 89.890 1.00 0.00 H new ATOM 1412 N GLY A 91 21.774 -16.003 84.840 1.00 0.00 N ATOM 1413 CA GLY A 91 22.441 -15.228 83.764 1.00 0.00 C ATOM 1414 C GLY A 91 22.056 -13.756 83.882 1.00 0.00 C ATOM 1415 O GLY A 91 22.712 -12.999 84.559 1.00 0.00 O ATOM 0 H GLY A 91 21.920 -15.632 85.779 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.523 -15.339 83.839 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.148 -15.614 82.788 1.00 0.00 H new ATOM 1419 N ALA A 92 21.004 -13.351 83.230 1.00 0.00 N ATOM 1420 CA ALA A 92 20.583 -11.931 83.300 1.00 0.00 C ATOM 1421 C ALA A 92 21.751 -11.015 82.969 1.00 0.00 C ATOM 1422 O ALA A 92 21.609 -9.808 83.012 1.00 0.00 O ATOM 1423 CB ALA A 92 20.086 -11.622 84.732 1.00 0.00 C ATOM 0 H ALA A 92 20.416 -13.948 82.649 1.00 0.00 H new ATOM 0 HA ALA A 92 19.784 -11.761 82.578 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.774 -10.579 84.792 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.241 -12.268 84.971 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.892 -11.801 85.443 1.00 0.00 H new ATOM 1429 N ASP A 93 22.894 -11.549 82.647 1.00 0.00 N ATOM 1430 CA ASP A 93 24.045 -10.668 82.331 1.00 0.00 C ATOM 1431 C ASP A 93 24.082 -9.512 83.331 1.00 0.00 C ATOM 1432 O ASP A 93 24.180 -9.730 84.525 1.00 0.00 O ATOM 1433 CB ASP A 93 23.831 -10.140 80.919 1.00 0.00 C ATOM 1434 CG ASP A 93 24.099 -11.255 79.897 1.00 0.00 C ATOM 1435 OD1 ASP A 93 23.165 -11.976 79.575 1.00 0.00 O ATOM 1436 OD2 ASP A 93 25.232 -11.357 79.445 1.00 0.00 O ATOM 0 H ASP A 93 23.079 -12.551 82.590 1.00 0.00 H new ATOM 0 HA ASP A 93 24.990 -11.207 82.395 1.00 0.00 H new ATOM 0 HB2 ASP A 93 22.811 -9.772 80.810 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.496 -9.296 80.732 1.00 0.00 H new ATOM 1441 N LYS A 94 23.975 -8.297 82.881 1.00 0.00 N ATOM 1442 CA LYS A 94 23.980 -7.186 83.843 1.00 0.00 C ATOM 1443 C LYS A 94 23.395 -5.952 83.160 1.00 0.00 C ATOM 1444 O LYS A 94 22.313 -5.505 83.480 1.00 0.00 O ATOM 1445 CB LYS A 94 25.415 -6.925 84.277 1.00 0.00 C ATOM 1446 CG LYS A 94 25.436 -6.123 85.584 1.00 0.00 C ATOM 1447 CD LYS A 94 24.879 -4.677 85.369 1.00 0.00 C ATOM 1448 CE LYS A 94 23.388 -4.572 85.770 1.00 0.00 C ATOM 1449 NZ LYS A 94 23.303 -4.018 87.150 1.00 0.00 N ATOM 0 H LYS A 94 23.886 -8.035 81.899 1.00 0.00 H new ATOM 0 HA LYS A 94 23.381 -7.427 84.722 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.939 -7.871 84.414 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.944 -6.377 83.497 1.00 0.00 H new ATOM 0 HG2 LYS A 94 24.840 -6.637 86.339 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.456 -6.070 85.965 1.00 0.00 H new ATOM 0 HD2 LYS A 94 25.465 -3.970 85.957 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.995 -4.394 84.323 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.853 -3.929 85.071 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.915 -5.553 85.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.342 -3.659 87.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 23.521 -4.766 87.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.987 -3.242 87.255 1.00 0.00 H new ATOM 1463 N THR A 95 24.114 -5.416 82.205 1.00 0.00 N ATOM 1464 CA THR A 95 23.647 -4.217 81.458 1.00 0.00 C ATOM 1465 C THR A 95 23.511 -4.653 80.004 1.00 0.00 C ATOM 1466 O THR A 95 23.919 -3.991 79.081 1.00 0.00 O ATOM 1467 CB THR A 95 24.697 -3.071 81.610 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.831 -3.565 82.310 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.108 -1.868 82.380 1.00 0.00 C ATOM 0 H THR A 95 25.024 -5.770 81.909 1.00 0.00 H new ATOM 0 HA THR A 95 22.697 -3.838 81.834 1.00 0.00 H new ATOM 0 HB THR A 95 24.982 -2.733 80.614 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.493 -2.849 82.406 1.00 0.00 H new ATOM 0 HG21 THR A 95 24.864 -1.088 82.469 1.00 0.00 H new ATOM 0 HG22 THR A 95 23.245 -1.478 81.840 1.00 0.00 H new ATOM 0 HG23 THR A 95 23.799 -2.189 83.375 1.00 0.00 H new ATOM 1477 N VAL A 96 22.939 -5.794 79.817 1.00 0.00 N ATOM 1478 CA VAL A 96 22.764 -6.329 78.445 1.00 0.00 C ATOM 1479 C VAL A 96 21.727 -5.481 77.685 1.00 0.00 C ATOM 1480 O VAL A 96 21.550 -5.646 76.491 1.00 0.00 O ATOM 1481 CB VAL A 96 22.328 -7.822 78.565 1.00 0.00 C ATOM 1482 CG1 VAL A 96 21.019 -8.113 77.825 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.425 -8.733 77.985 1.00 0.00 C ATOM 0 H VAL A 96 22.579 -6.391 80.562 1.00 0.00 H new ATOM 0 HA VAL A 96 23.694 -6.278 77.878 1.00 0.00 H new ATOM 0 HB VAL A 96 22.172 -8.020 79.625 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.762 -9.166 77.941 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.222 -7.497 78.240 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.141 -7.884 76.766 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.116 -9.775 78.071 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.584 -8.487 76.935 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.352 -8.583 78.538 1.00 0.00 H new ATOM 1493 N LYS A 97 21.064 -4.554 78.339 1.00 0.00 N ATOM 1494 CA LYS A 97 20.072 -3.713 77.588 1.00 0.00 C ATOM 1495 C LYS A 97 19.820 -2.362 78.283 1.00 0.00 C ATOM 1496 O LYS A 97 19.186 -1.492 77.712 1.00 0.00 O ATOM 1497 CB LYS A 97 18.739 -4.497 77.406 1.00 0.00 C ATOM 1498 CG LYS A 97 18.372 -4.603 75.911 1.00 0.00 C ATOM 1499 CD LYS A 97 17.209 -5.583 75.736 1.00 0.00 C ATOM 1500 CE LYS A 97 17.112 -6.012 74.271 1.00 0.00 C ATOM 1501 NZ LYS A 97 18.219 -6.973 73.949 1.00 0.00 N ATOM 0 H LYS A 97 21.161 -4.346 79.333 1.00 0.00 H new ATOM 0 HA LYS A 97 20.494 -3.494 76.607 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.836 -5.495 77.834 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.938 -3.994 77.948 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.096 -3.622 75.524 1.00 0.00 H new ATOM 0 HG3 LYS A 97 19.235 -4.941 75.337 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.358 -6.456 76.371 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.276 -5.115 76.050 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.146 -6.480 74.083 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.176 -5.139 73.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.964 -7.526 73.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.095 -6.444 73.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.366 -7.616 74.753 1.00 0.00 H new ATOM 1515 N GLY A 98 20.314 -2.138 79.482 1.00 0.00 N ATOM 1516 CA GLY A 98 20.073 -0.804 80.101 1.00 0.00 C ATOM 1517 C GLY A 98 20.971 0.197 79.365 1.00 0.00 C ATOM 1518 O GLY A 98 21.834 -0.205 78.593 1.00 0.00 O ATOM 0 H GLY A 98 20.855 -2.800 80.038 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.024 -0.520 80.011 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.308 -0.824 81.165 1.00 0.00 H new ATOM 1522 N PRO A 99 20.757 1.467 79.596 1.00 0.00 N ATOM 1523 CA PRO A 99 21.551 2.519 78.934 1.00 0.00 C ATOM 1524 C PRO A 99 23.028 2.102 78.803 1.00 0.00 C ATOM 1525 O PRO A 99 23.512 1.796 77.725 1.00 0.00 O ATOM 1526 CB PRO A 99 21.361 3.727 79.863 1.00 0.00 C ATOM 1527 CG PRO A 99 19.994 3.501 80.557 1.00 0.00 C ATOM 1528 CD PRO A 99 19.738 1.980 80.532 1.00 0.00 C ATOM 0 HA PRO A 99 21.238 2.727 77.911 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.167 3.791 80.594 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.366 4.660 79.300 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.012 3.875 81.581 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.201 4.037 80.036 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.847 1.540 81.523 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.729 1.750 80.190 1.00 0.00 H new ATOM 1536 N ASP A 100 23.737 2.090 79.884 1.00 0.00 N ATOM 1537 CA ASP A 100 25.161 1.700 79.826 1.00 0.00 C ATOM 1538 C ASP A 100 25.649 1.487 81.238 1.00 0.00 C ATOM 1539 O ASP A 100 25.142 0.654 81.971 1.00 0.00 O ATOM 1540 CB ASP A 100 25.960 2.822 79.153 1.00 0.00 C ATOM 1541 CG ASP A 100 27.411 2.388 78.993 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.800 1.430 79.645 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.114 3.023 78.228 1.00 0.00 O ATOM 0 H ASP A 100 23.390 2.335 80.811 1.00 0.00 H new ATOM 0 HA ASP A 100 25.289 0.783 79.251 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.530 3.055 78.179 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.905 3.731 79.752 1.00 0.00 H new ATOM 1548 N GLY A 101 26.601 2.260 81.638 1.00 0.00 N ATOM 1549 CA GLY A 101 27.125 2.130 83.011 1.00 0.00 C ATOM 1550 C GLY A 101 26.002 2.359 84.020 1.00 0.00 C ATOM 1551 O GLY A 101 26.222 2.340 85.216 1.00 0.00 O ATOM 0 H GLY A 101 27.043 2.982 81.070 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.556 1.139 83.153 1.00 0.00 H new ATOM 0 HA3 GLY A 101 27.925 2.852 83.174 1.00 0.00 H new ATOM 1555 N LEU A 102 24.784 2.544 83.580 1.00 0.00 N ATOM 1556 CA LEU A 102 23.701 2.760 84.569 1.00 0.00 C ATOM 1557 C LEU A 102 23.735 1.663 85.538 1.00 0.00 C ATOM 1558 O LEU A 102 24.124 1.870 86.674 1.00 0.00 O ATOM 1559 CB LEU A 102 22.313 2.820 83.926 1.00 0.00 C ATOM 1560 CG LEU A 102 21.270 3.326 84.941 1.00 0.00 C ATOM 1561 CD1 LEU A 102 19.912 3.515 84.253 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.120 2.368 86.142 1.00 0.00 C ATOM 0 H LEU A 102 24.502 2.554 82.600 1.00 0.00 H new ATOM 0 HA LEU A 102 23.873 3.724 85.048 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.336 3.480 83.059 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.029 1.831 83.566 1.00 0.00 H new ATOM 0 HG LEU A 102 21.624 4.284 85.323 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.183 3.873 84.980 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.010 4.244 83.448 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.577 2.563 83.841 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.375 2.764 86.832 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.802 1.387 85.788 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.077 2.275 86.655 1.00 0.00 H new ATOM 1574 N THR A 103 23.266 0.514 85.140 1.00 0.00 N ATOM 1575 CA THR A 103 23.210 -0.605 86.090 1.00 0.00 C ATOM 1576 C THR A 103 23.106 -0.011 87.486 1.00 0.00 C ATOM 1577 O THR A 103 22.110 0.572 87.873 1.00 0.00 O ATOM 1578 CB THR A 103 24.500 -1.437 85.972 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.750 -2.143 87.184 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.675 -0.513 85.684 1.00 0.00 C ATOM 0 H THR A 103 22.923 0.312 84.201 1.00 0.00 H new ATOM 0 HA THR A 103 22.357 -1.251 85.884 1.00 0.00 H new ATOM 0 HB THR A 103 24.380 -2.154 85.160 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.646 -2.539 87.153 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.589 -1.101 85.600 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.499 0.019 84.749 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.780 0.206 86.496 1.00 0.00 H new ATOM 1588 N ALA A 104 24.136 -0.108 88.215 1.00 0.00 N ATOM 1589 CA ALA A 104 24.131 0.433 89.583 1.00 0.00 C ATOM 1590 C ALA A 104 24.748 1.831 89.683 1.00 0.00 C ATOM 1591 O ALA A 104 24.413 2.599 90.579 1.00 0.00 O ATOM 1592 CB ALA A 104 24.931 -0.523 90.408 1.00 0.00 C ATOM 0 H ALA A 104 25.010 -0.548 87.928 1.00 0.00 H new ATOM 0 HA ALA A 104 23.101 0.536 89.925 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.964 -0.174 91.440 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.468 -1.509 90.373 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.945 -0.584 90.013 1.00 0.00 H new ATOM 1598 N LEU A 105 25.679 2.158 88.832 1.00 0.00 N ATOM 1599 CA LEU A 105 26.345 3.476 88.947 1.00 0.00 C ATOM 1600 C LEU A 105 25.366 4.624 88.998 1.00 0.00 C ATOM 1601 O LEU A 105 25.442 5.452 89.875 1.00 0.00 O ATOM 1602 CB LEU A 105 27.224 3.697 87.735 1.00 0.00 C ATOM 1603 CG LEU A 105 28.056 2.461 87.450 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.021 2.795 86.315 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.839 2.072 88.712 1.00 0.00 C ATOM 0 H LEU A 105 26.004 1.569 88.065 1.00 0.00 H new ATOM 0 HA LEU A 105 26.914 3.458 89.876 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.606 3.935 86.869 1.00 0.00 H new ATOM 0 HB3 LEU A 105 27.878 4.552 87.904 1.00 0.00 H new ATOM 0 HG LEU A 105 27.419 1.624 87.164 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.633 1.922 86.089 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.455 3.081 85.428 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.665 3.621 86.616 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.438 1.184 88.509 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.495 2.893 89.001 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.141 1.862 89.523 1.00 0.00 H new ATOM 1617 N GLU A 106 24.488 4.732 88.035 1.00 0.00 N ATOM 1618 CA GLU A 106 23.568 5.903 88.036 1.00 0.00 C ATOM 1619 C GLU A 106 22.333 5.563 88.852 1.00 0.00 C ATOM 1620 O GLU A 106 21.503 6.407 89.131 1.00 0.00 O ATOM 1621 CB GLU A 106 23.212 6.291 86.568 1.00 0.00 C ATOM 1622 CG GLU A 106 21.713 6.583 86.359 1.00 0.00 C ATOM 1623 CD GLU A 106 21.343 7.908 87.049 1.00 0.00 C ATOM 1624 OE1 GLU A 106 22.236 8.544 87.579 1.00 0.00 O ATOM 1625 OE2 GLU A 106 20.175 8.265 87.029 1.00 0.00 O ATOM 0 H GLU A 106 24.370 4.074 87.264 1.00 0.00 H new ATOM 0 HA GLU A 106 24.049 6.767 88.495 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.789 7.170 86.282 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.513 5.482 85.903 1.00 0.00 H new ATOM 0 HG2 GLU A 106 21.489 6.641 85.294 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.113 5.769 86.767 1.00 0.00 H new ATOM 1632 N ALA A 107 22.171 4.326 89.195 1.00 0.00 N ATOM 1633 CA ALA A 107 20.947 3.947 89.940 1.00 0.00 C ATOM 1634 C ALA A 107 21.005 4.296 91.422 1.00 0.00 C ATOM 1635 O ALA A 107 19.989 4.623 92.006 1.00 0.00 O ATOM 1636 CB ALA A 107 20.757 2.443 89.845 1.00 0.00 C ATOM 0 H ALA A 107 22.823 3.567 88.996 1.00 0.00 H new ATOM 0 HA ALA A 107 20.128 4.507 89.488 1.00 0.00 H new ATOM 0 HB1 ALA A 107 19.858 2.155 90.390 1.00 0.00 H new ATOM 0 HB2 ALA A 107 20.655 2.155 88.799 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.621 1.939 90.277 1.00 0.00 H new ATOM 1642 N THR A 108 22.123 4.132 92.072 1.00 0.00 N ATOM 1643 CA THR A 108 22.122 4.350 93.543 1.00 0.00 C ATOM 1644 C THR A 108 23.514 4.616 94.133 1.00 0.00 C ATOM 1645 O THR A 108 24.456 4.994 93.469 1.00 0.00 O ATOM 1646 CB THR A 108 21.660 3.029 94.115 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.600 3.111 95.535 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.690 1.944 93.705 1.00 0.00 C ATOM 0 H THR A 108 23.017 3.863 91.660 1.00 0.00 H new ATOM 0 HA THR A 108 21.505 5.218 93.775 1.00 0.00 H new ATOM 0 HB THR A 108 20.669 2.781 93.736 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.683 2.938 95.834 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.380 0.979 94.105 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.744 1.886 92.618 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.671 2.204 94.103 1.00 0.00 H new ATOM 1656 N ASP A 109 23.610 4.335 95.408 1.00 0.00 N ATOM 1657 CA ASP A 109 24.876 4.466 96.179 1.00 0.00 C ATOM 1658 C ASP A 109 24.875 3.414 97.287 1.00 0.00 C ATOM 1659 O ASP A 109 25.832 3.280 98.025 1.00 0.00 O ATOM 1660 CB ASP A 109 24.993 5.871 96.781 1.00 0.00 C ATOM 1661 CG ASP A 109 26.258 5.962 97.649 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.314 6.246 97.093 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.148 5.765 98.847 1.00 0.00 O ATOM 0 H ASP A 109 22.823 4.005 95.967 1.00 0.00 H new ATOM 0 HA ASP A 109 25.729 4.312 95.519 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.032 6.615 95.986 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.112 6.093 97.382 1.00 0.00 H new ATOM 1668 N ASN A 110 23.835 2.619 97.380 1.00 0.00 N ATOM 1669 CA ASN A 110 23.830 1.538 98.406 1.00 0.00 C ATOM 1670 C ASN A 110 24.744 0.448 97.830 1.00 0.00 C ATOM 1671 O ASN A 110 24.823 0.272 96.625 1.00 0.00 O ATOM 1672 CB ASN A 110 22.403 1.019 98.649 1.00 0.00 C ATOM 1673 CG ASN A 110 21.709 0.832 97.309 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.429 0.879 96.228 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.514 0.642 97.242 1.00 0.00 N flip ATOM 0 H ASN A 110 23.001 2.673 96.796 1.00 0.00 H new ATOM 0 HA ASN A 110 24.183 1.884 99.378 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.433 0.074 99.192 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.846 1.724 99.266 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.955 0.606 98.094 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.067 0.518 96.333 1.00 0.00 H new ATOM 1682 N GLN A 111 25.496 -0.219 98.642 1.00 0.00 N ATOM 1683 CA GLN A 111 26.472 -1.228 98.106 1.00 0.00 C ATOM 1684 C GLN A 111 25.838 -2.614 97.861 1.00 0.00 C ATOM 1685 O GLN A 111 26.515 -3.573 97.574 1.00 0.00 O ATOM 1686 CB GLN A 111 27.621 -1.303 99.094 1.00 0.00 C ATOM 1687 CG GLN A 111 28.542 -2.504 98.776 1.00 0.00 C ATOM 1688 CD GLN A 111 29.956 -2.247 99.295 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.771 -1.671 98.601 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.295 -2.675 100.480 1.00 0.00 N ATOM 0 H GLN A 111 25.488 -0.120 99.657 1.00 0.00 H new ATOM 0 HA GLN A 111 26.822 -0.909 97.124 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.197 -0.378 99.060 1.00 0.00 H new ATOM 0 HB3 GLN A 111 27.230 -1.397 100.107 1.00 0.00 H new ATOM 0 HG2 GLN A 111 28.140 -3.409 99.232 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.569 -2.674 97.700 1.00 0.00 H new ATOM 0 HE21 GLN A 111 29.611 -3.158 101.063 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.244 -2.526 100.824 1.00 0.00 H new ATOM 1699 N ALA A 112 24.547 -2.737 97.931 1.00 0.00 N ATOM 1700 CA ALA A 112 23.912 -4.066 97.663 1.00 0.00 C ATOM 1701 C ALA A 112 23.751 -4.224 96.152 1.00 0.00 C ATOM 1702 O ALA A 112 24.038 -5.244 95.532 1.00 0.00 O ATOM 1703 CB ALA A 112 22.532 -4.114 98.314 1.00 0.00 C ATOM 0 H ALA A 112 23.900 -1.983 98.161 1.00 0.00 H new ATOM 0 HA ALA A 112 24.533 -4.864 98.070 1.00 0.00 H new ATOM 0 HB1 ALA A 112 22.071 -5.082 98.118 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.632 -3.971 99.390 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.906 -3.324 97.899 1.00 0.00 H new ATOM 1709 N ILE A 113 23.314 -3.178 95.561 1.00 0.00 N ATOM 1710 CA ILE A 113 23.111 -3.139 94.091 1.00 0.00 C ATOM 1711 C ILE A 113 24.474 -3.141 93.464 1.00 0.00 C ATOM 1712 O ILE A 113 24.767 -3.870 92.533 1.00 0.00 O ATOM 1713 CB ILE A 113 22.474 -1.797 93.702 1.00 0.00 C ATOM 1714 CG1 ILE A 113 21.055 -1.619 94.298 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.418 -1.654 92.157 1.00 0.00 C ATOM 1716 CD1 ILE A 113 21.041 -1.863 95.792 1.00 0.00 C ATOM 0 H ILE A 113 23.077 -2.310 96.042 1.00 0.00 H new ATOM 0 HA ILE A 113 22.488 -3.976 93.776 1.00 0.00 H new ATOM 0 HB ILE A 113 23.105 -1.013 94.122 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.697 -0.611 94.091 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.366 -2.309 93.810 1.00 0.00 H new ATOM 0 HG21 ILE A 113 21.964 -0.698 91.896 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.428 -1.699 91.751 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.822 -2.465 91.738 1.00 0.00 H new ATOM 0 HD11 ILE A 113 20.029 -1.729 96.173 1.00 0.00 H new ATOM 0 HD12 ILE A 113 21.374 -2.880 95.998 1.00 0.00 H new ATOM 0 HD13 ILE A 113 21.710 -1.156 96.282 1.00 0.00 H new ATOM 1728 N LYS A 114 25.299 -2.270 93.940 1.00 0.00 N ATOM 1729 CA LYS A 114 26.638 -2.165 93.368 1.00 0.00 C ATOM 1730 C LYS A 114 27.242 -3.576 93.321 1.00 0.00 C ATOM 1731 O LYS A 114 28.189 -3.839 92.611 1.00 0.00 O ATOM 1732 CB LYS A 114 27.469 -1.210 94.223 1.00 0.00 C ATOM 1733 CG LYS A 114 26.717 0.147 94.374 1.00 0.00 C ATOM 1734 CD LYS A 114 27.001 1.064 93.170 1.00 0.00 C ATOM 1735 CE LYS A 114 26.581 2.502 93.502 1.00 0.00 C ATOM 1736 NZ LYS A 114 26.963 3.408 92.378 1.00 0.00 N ATOM 0 H LYS A 114 25.096 -1.626 94.705 1.00 0.00 H new ATOM 0 HA LYS A 114 26.616 -1.763 92.355 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.649 -1.648 95.205 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.443 -1.048 93.762 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.645 -0.033 94.456 1.00 0.00 H new ATOM 0 HG3 LYS A 114 27.028 0.640 95.295 1.00 0.00 H new ATOM 0 HD2 LYS A 114 28.062 1.034 92.920 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.457 0.709 92.295 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.505 2.548 93.670 1.00 0.00 H new ATOM 0 HE3 LYS A 114 27.061 2.828 94.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.372 4.284 92.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.664 2.934 91.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 26.119 3.638 91.815 1.00 0.00 H new ATOM 1750 N ALA A 115 26.661 -4.502 94.051 1.00 0.00 N ATOM 1751 CA ALA A 115 27.164 -5.884 94.022 1.00 0.00 C ATOM 1752 C ALA A 115 26.976 -6.423 92.602 1.00 0.00 C ATOM 1753 O ALA A 115 27.884 -6.998 92.027 1.00 0.00 O ATOM 1754 CB ALA A 115 26.383 -6.740 95.025 1.00 0.00 C ATOM 0 H ALA A 115 25.859 -4.344 94.662 1.00 0.00 H new ATOM 0 HA ALA A 115 28.218 -5.915 94.296 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.759 -7.763 95.000 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.509 -6.331 96.028 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.325 -6.735 94.761 1.00 0.00 H new ATOM 1760 N LEU A 116 25.816 -6.233 92.007 1.00 0.00 N ATOM 1761 CA LEU A 116 25.654 -6.742 90.611 1.00 0.00 C ATOM 1762 C LEU A 116 26.554 -5.950 89.700 1.00 0.00 C ATOM 1763 O LEU A 116 26.609 -6.180 88.511 1.00 0.00 O ATOM 1764 CB LEU A 116 24.203 -6.641 90.092 1.00 0.00 C ATOM 1765 CG LEU A 116 23.390 -7.950 90.244 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.156 -7.847 89.337 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.188 -9.196 89.808 1.00 0.00 C ATOM 0 H LEU A 116 25.005 -5.765 92.413 1.00 0.00 H new ATOM 0 HA LEU A 116 25.919 -7.799 90.619 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.691 -5.842 90.628 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.223 -6.357 89.040 1.00 0.00 H new ATOM 0 HG LEU A 116 23.132 -8.063 91.297 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.563 -8.758 89.424 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.553 -6.991 89.639 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.475 -7.719 88.302 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.571 -10.086 89.935 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.472 -9.098 88.760 1.00 0.00 H new ATOM 0 HD23 LEU A 116 25.085 -9.286 90.420 1.00 0.00 H new ATOM 1779 N LEU A 117 27.270 -5.034 90.243 1.00 0.00 N ATOM 1780 CA LEU A 117 28.189 -4.256 89.402 1.00 0.00 C ATOM 1781 C LEU A 117 29.365 -5.174 89.170 1.00 0.00 C ATOM 1782 O LEU A 117 29.446 -5.843 88.155 1.00 0.00 O ATOM 1783 CB LEU A 117 28.602 -2.961 90.137 1.00 0.00 C ATOM 1784 CG LEU A 117 29.076 -1.925 89.119 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.207 -2.538 88.277 1.00 0.00 C ATOM 1786 CD2 LEU A 117 27.878 -1.499 88.225 1.00 0.00 C ATOM 0 H LEU A 117 27.261 -4.788 91.233 1.00 0.00 H new ATOM 0 HA LEU A 117 27.745 -3.940 88.458 1.00 0.00 H new ATOM 0 HB2 LEU A 117 27.759 -2.568 90.705 1.00 0.00 H new ATOM 0 HB3 LEU A 117 29.397 -3.174 90.852 1.00 0.00 H new ATOM 0 HG LEU A 117 29.458 -1.038 89.624 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.554 -1.807 87.546 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.034 -2.820 88.929 1.00 0.00 H new ATOM 0 HD13 LEU A 117 29.836 -3.422 87.758 1.00 0.00 H new ATOM 0 HD21 LEU A 117 28.212 -0.760 87.497 1.00 0.00 H new ATOM 0 HD22 LEU A 117 27.486 -2.371 87.702 1.00 0.00 H new ATOM 0 HD23 LEU A 117 27.095 -1.067 88.848 1.00 0.00 H new ATOM 1798 N GLN A 118 30.217 -5.290 90.143 1.00 0.00 N ATOM 1799 CA GLN A 118 31.346 -6.243 90.036 1.00 0.00 C ATOM 1800 C GLN A 118 31.929 -6.254 88.608 1.00 0.00 C ATOM 1801 O GLN A 118 31.839 -5.237 87.950 1.00 0.00 O ATOM 1802 CB GLN A 118 30.775 -7.624 90.434 1.00 0.00 C ATOM 1803 CG GLN A 118 31.436 -8.153 91.710 1.00 0.00 C ATOM 1804 CD GLN A 118 32.798 -8.762 91.390 1.00 0.00 C ATOM 1805 OE1 GLN A 118 33.432 -8.381 90.320 1.00 0.00 O flip ATOM 1806 NE2 GLN A 118 33.298 -9.586 92.130 1.00 0.00 N flip ATOM 1807 OXT GLN A 118 32.466 -7.273 88.216 1.00 0.00 O ATOM 0 H GLN A 118 30.179 -4.761 91.014 1.00 0.00 H new ATOM 0 HA GLN A 118 32.172 -5.962 90.689 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.699 -7.545 90.586 1.00 0.00 H new ATOM 0 HB3 GLN A 118 30.931 -8.333 89.621 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.553 -7.343 92.430 1.00 0.00 H new ATOM 0 HG3 GLN A 118 30.796 -8.902 92.175 1.00 0.00 H new ATOM 0 HE21 GLN A 118 32.802 -9.885 92.969 1.00 0.00 H new ATOM 0 HE22 GLN A 118 34.214 -9.978 91.912 1.00 0.00 H new