USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=25 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 94 LYS NZ :NH3+ -124:sc= -0.0255 (180deg=-1.16) USER MOD Set 1.2: A 103 THR OG1 : rot -143:sc= -2.66! USER MOD Set 2.1: A 37 LYS NZ :NH3+ -174:sc= -0.298 (180deg=-0.502) USER MOD Set 2.2: A 67 HIS : no HD1:sc= -3.94! K(o=-4.2!,f=-1.2) USER MOD Single : A 4 LYS NZ :NH3+ 152:sc= 0.13 (180deg=0.00466) USER MOD Single : A 7 MET CE :methyl 134:sc= -0.224 (180deg=-1.34) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.736) USER MOD Single : A 12 ASN : amide:sc= 0.783 K(o=0.78,f=-0.56) USER MOD Single : A 19 LYS NZ :NH3+ -155:sc= -1.89! (180deg=-3.36!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -4.97! K(o=-5!,f=-1.5) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 40 HIS : no HD1:sc= -0.635 K(o=-0.64,f=-1.5) USER MOD Single : A 41 TYR OH : rot 169:sc= -1.13 USER MOD Single : A 45 CYS SG : rot 44:sc= -2.31! USER MOD Single : A 47 GLN : amide:sc= -4.69! C(o=-4.7!,f=-7.5!) USER MOD Single : A 57 LYS NZ :NH3+ -114:sc= -6.88! (180deg=-8.09!) USER MOD Single : A 62 ASN : amide:sc= -10.3! C(o=-10!,f=-0.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -1.64! C(o=-1.6!,f=-5.5!) USER MOD Single : A 70 THR OG1 : rot 122:sc= -4.84! USER MOD Single : A 74 SER OG : rot -84:sc= -0.125 USER MOD Single : A 77 TYR OH : rot 130:sc= -0.396 USER MOD Single : A 80 HIS : no HD1:sc= -0.0891 K(o=-0.089,f=-1.8!) USER MOD Single : A 82 SER OG : rot 150:sc= -0.336 USER MOD Single : A 83 CYS SG : rot 44:sc= -2.56 USER MOD Single : A 85 LYS NZ :NH3+ 156:sc= -0.0967 (180deg=-0.821) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -131:sc= -1.99 (180deg=-6.01!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.0166 (180deg=-0.447) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.248! USER MOD Single : A 110 ASN : amide:sc= -22.6! C(o=-23!,f=-17!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 167:sc= -0.898 (180deg=-1.06) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.464 -8.426 87.101 1.00 0.00 N ATOM 44 CA LYS A 4 -6.807 -8.030 88.377 1.00 0.00 C ATOM 45 C LYS A 4 -6.349 -9.272 89.148 1.00 0.00 C ATOM 46 O LYS A 4 -5.172 -9.475 89.369 1.00 0.00 O ATOM 47 CB LYS A 4 -7.809 -7.245 89.227 1.00 0.00 C ATOM 48 CG LYS A 4 -8.064 -5.869 88.591 1.00 0.00 C ATOM 49 CD LYS A 4 -7.041 -4.853 89.117 1.00 0.00 C ATOM 50 CE LYS A 4 -7.541 -4.256 90.435 1.00 0.00 C ATOM 51 NZ LYS A 4 -6.547 -3.269 90.940 1.00 0.00 N ATOM 0 HA LYS A 4 -5.936 -7.413 88.157 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.745 -7.798 89.307 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.424 -7.122 90.239 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.993 -5.941 87.506 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.075 -5.533 88.822 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.077 -5.338 89.268 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.888 -4.062 88.383 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.506 -3.772 90.285 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.692 -5.046 91.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.033 -2.549 91.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.840 -3.757 91.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.073 -2.811 90.136 1.00 0.00 H new ATOM 65 N GLU A 5 -7.268 -10.095 89.572 1.00 0.00 N ATOM 66 CA GLU A 5 -6.888 -11.313 90.349 1.00 0.00 C ATOM 67 C GLU A 5 -5.673 -12.001 89.715 1.00 0.00 C ATOM 68 O GLU A 5 -4.858 -12.585 90.400 1.00 0.00 O ATOM 69 CB GLU A 5 -8.071 -12.285 90.379 1.00 0.00 C ATOM 70 CG GLU A 5 -7.863 -13.311 91.497 1.00 0.00 C ATOM 71 CD GLU A 5 -8.831 -14.480 91.308 1.00 0.00 C ATOM 72 OE1 GLU A 5 -10.008 -14.224 91.116 1.00 0.00 O ATOM 73 OE2 GLU A 5 -8.378 -15.612 91.360 1.00 0.00 O ATOM 0 H GLU A 5 -8.269 -9.978 89.414 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.627 -11.015 91.365 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.000 -11.738 90.541 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.163 -12.792 89.418 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.835 -13.672 91.486 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.027 -12.844 92.468 1.00 0.00 H new ATOM 80 N PHE A 6 -5.538 -11.938 88.420 1.00 0.00 N ATOM 81 CA PHE A 6 -4.370 -12.592 87.763 1.00 0.00 C ATOM 82 C PHE A 6 -3.097 -11.779 88.041 1.00 0.00 C ATOM 83 O PHE A 6 -2.224 -12.202 88.778 1.00 0.00 O ATOM 84 CB PHE A 6 -4.630 -12.687 86.250 1.00 0.00 C ATOM 85 CG PHE A 6 -3.330 -12.838 85.491 1.00 0.00 C ATOM 86 CD1 PHE A 6 -2.304 -13.649 85.994 1.00 0.00 C ATOM 87 CD2 PHE A 6 -3.158 -12.165 84.277 1.00 0.00 C ATOM 88 CE1 PHE A 6 -1.107 -13.783 85.280 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.962 -12.299 83.564 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.936 -13.108 84.065 1.00 0.00 C ATOM 0 H PHE A 6 -6.183 -11.464 87.789 1.00 0.00 H new ATOM 0 HA PHE A 6 -4.233 -13.596 88.164 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -5.280 -13.537 86.041 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -5.154 -11.794 85.909 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.436 -14.170 86.931 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.950 -11.541 83.890 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.315 -14.407 85.667 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.830 -11.778 82.627 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.012 -13.212 83.515 1.00 0.00 H new ATOM 100 N MET A 7 -2.971 -10.622 87.452 1.00 0.00 N ATOM 101 CA MET A 7 -1.744 -9.808 87.684 1.00 0.00 C ATOM 102 C MET A 7 -1.665 -9.370 89.154 1.00 0.00 C ATOM 103 O MET A 7 -0.592 -9.219 89.708 1.00 0.00 O ATOM 104 CB MET A 7 -1.757 -8.581 86.763 1.00 0.00 C ATOM 105 CG MET A 7 -2.440 -7.400 87.462 1.00 0.00 C ATOM 106 SD MET A 7 -2.881 -6.144 86.236 1.00 0.00 S ATOM 107 CE MET A 7 -4.232 -7.052 85.443 1.00 0.00 C ATOM 0 H MET A 7 -3.659 -10.207 86.824 1.00 0.00 H new ATOM 0 HA MET A 7 -0.867 -10.414 87.458 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.737 -8.311 86.491 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.282 -8.818 85.837 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.333 -7.741 87.986 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.774 -6.973 88.212 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.089 -6.390 85.314 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.904 -7.415 84.469 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.518 -7.898 86.068 1.00 0.00 H new ATOM 117 N TRP A 8 -2.783 -9.163 89.795 1.00 0.00 N ATOM 118 CA TRP A 8 -2.741 -8.740 91.223 1.00 0.00 C ATOM 119 C TRP A 8 -1.948 -9.775 92.021 1.00 0.00 C ATOM 120 O TRP A 8 -1.689 -9.601 93.195 1.00 0.00 O ATOM 121 CB TRP A 8 -4.162 -8.631 91.784 1.00 0.00 C ATOM 122 CG TRP A 8 -4.116 -7.933 93.104 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.157 -8.548 94.308 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.015 -6.506 93.374 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.090 -7.587 95.301 1.00 0.00 N ATOM 126 CE2 TRP A 8 -3.998 -6.313 94.775 1.00 0.00 C ATOM 127 CE3 TRP A 8 -3.933 -5.370 92.546 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -3.911 -5.039 95.337 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -3.844 -4.086 93.110 1.00 0.00 C ATOM 130 CH2 TRP A 8 -3.830 -3.921 94.502 1.00 0.00 C ATOM 0 H TRP A 8 -3.716 -9.267 89.396 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.261 -7.764 91.300 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.799 -8.082 91.090 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.598 -9.623 91.899 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.230 -9.614 94.468 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.107 -7.794 96.300 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.939 -5.486 91.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.906 -4.917 96.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.786 -3.220 92.467 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.757 -2.932 94.929 1.00 0.00 H new ATOM 141 N ALA A 9 -1.550 -10.848 91.385 1.00 0.00 N ATOM 142 CA ALA A 9 -0.762 -11.889 92.093 1.00 0.00 C ATOM 143 C ALA A 9 0.715 -11.501 92.040 1.00 0.00 C ATOM 144 O ALA A 9 1.396 -11.497 93.046 1.00 0.00 O ATOM 145 CB ALA A 9 -0.969 -13.245 91.420 1.00 0.00 C ATOM 0 H ALA A 9 -1.740 -11.044 90.402 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.089 -11.962 93.130 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.388 -14.004 91.944 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.026 -13.510 91.453 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.641 -13.190 90.382 1.00 0.00 H new ATOM 151 N LEU A 10 1.215 -11.145 90.883 1.00 0.00 N ATOM 152 CA LEU A 10 2.644 -10.728 90.798 1.00 0.00 C ATOM 153 C LEU A 10 2.902 -9.676 91.877 1.00 0.00 C ATOM 154 O LEU A 10 4.026 -9.323 92.174 1.00 0.00 O ATOM 155 CB LEU A 10 2.929 -10.061 89.444 1.00 0.00 C ATOM 156 CG LEU A 10 2.381 -10.891 88.270 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.671 -9.957 87.283 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.544 -11.585 87.550 1.00 0.00 C ATOM 0 H LEU A 10 0.700 -11.126 90.003 1.00 0.00 H new ATOM 0 HA LEU A 10 3.275 -11.608 90.922 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.481 -9.068 89.427 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.004 -9.928 89.324 1.00 0.00 H new ATOM 0 HG LEU A 10 1.682 -11.638 88.646 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.280 -10.539 86.448 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.849 -9.450 87.789 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.378 -9.217 86.909 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.158 -12.174 86.718 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.238 -10.834 87.172 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.064 -12.241 88.248 1.00 0.00 H new ATOM 170 N LYS A 11 1.848 -9.128 92.405 1.00 0.00 N ATOM 171 CA LYS A 11 1.972 -8.031 93.411 1.00 0.00 C ATOM 172 C LYS A 11 2.166 -8.532 94.851 1.00 0.00 C ATOM 173 O LYS A 11 3.236 -8.418 95.414 1.00 0.00 O ATOM 174 CB LYS A 11 0.690 -7.208 93.353 1.00 0.00 C ATOM 175 CG LYS A 11 0.703 -6.130 94.436 1.00 0.00 C ATOM 176 CD LYS A 11 -0.419 -5.133 94.146 1.00 0.00 C ATOM 177 CE LYS A 11 -0.785 -4.389 95.424 1.00 0.00 C ATOM 178 NZ LYS A 11 0.460 -4.013 96.148 1.00 0.00 N ATOM 0 H LYS A 11 0.889 -9.395 92.182 1.00 0.00 H new ATOM 0 HA LYS A 11 2.860 -7.451 93.160 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.591 -6.745 92.371 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.174 -7.858 93.488 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.564 -6.580 95.419 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.667 -5.621 94.451 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.102 -4.426 93.380 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.292 -5.656 93.755 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.364 -3.497 95.186 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.412 -5.017 96.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.267 -3.206 96.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.789 -4.820 96.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.195 -3.749 95.461 1.00 0.00 H new ATOM 192 N ASN A 12 1.125 -9.018 95.474 1.00 0.00 N ATOM 193 CA ASN A 12 1.240 -9.446 96.901 1.00 0.00 C ATOM 194 C ASN A 12 1.909 -10.812 97.020 1.00 0.00 C ATOM 195 O ASN A 12 1.680 -11.543 97.962 1.00 0.00 O ATOM 196 CB ASN A 12 -0.161 -9.516 97.499 1.00 0.00 C ATOM 197 CG ASN A 12 -0.098 -9.267 99.006 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.843 -8.465 99.533 1.00 0.00 O ATOM 199 ND2 ASN A 12 0.772 -9.921 99.726 1.00 0.00 N ATOM 0 H ASN A 12 0.201 -9.137 95.058 1.00 0.00 H new ATOM 0 HA ASN A 12 1.855 -8.723 97.436 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.805 -8.775 97.026 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.602 -10.493 97.301 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.827 -9.759 100.732 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.397 -10.594 99.283 1.00 0.00 H new ATOM 206 N GLY A 13 2.752 -11.153 96.097 1.00 0.00 N ATOM 207 CA GLY A 13 3.449 -12.454 96.184 1.00 0.00 C ATOM 208 C GLY A 13 2.457 -13.607 96.114 1.00 0.00 C ATOM 209 O GLY A 13 2.773 -14.716 96.492 1.00 0.00 O ATOM 0 H GLY A 13 2.989 -10.585 95.284 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.170 -12.540 95.371 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.011 -12.508 97.116 1.00 0.00 H new ATOM 213 N ASP A 14 1.271 -13.384 95.615 1.00 0.00 N ATOM 214 CA ASP A 14 0.315 -14.514 95.513 1.00 0.00 C ATOM 215 C ASP A 14 0.873 -15.474 94.475 1.00 0.00 C ATOM 216 O ASP A 14 0.226 -15.878 93.527 1.00 0.00 O ATOM 217 CB ASP A 14 -1.062 -14.013 95.101 1.00 0.00 C ATOM 218 CG ASP A 14 -1.282 -12.601 95.652 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.481 -11.733 95.344 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.247 -12.412 96.373 1.00 0.00 O ATOM 0 H ASP A 14 0.930 -12.483 95.280 1.00 0.00 H new ATOM 0 HA ASP A 14 0.199 -15.013 96.475 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.148 -14.008 94.014 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.832 -14.685 95.478 1.00 0.00 H new ATOM 225 N LEU A 15 2.103 -15.805 94.676 1.00 0.00 N ATOM 226 CA LEU A 15 2.849 -16.713 93.774 1.00 0.00 C ATOM 227 C LEU A 15 1.992 -17.943 93.444 1.00 0.00 C ATOM 228 O LEU A 15 2.092 -18.526 92.379 1.00 0.00 O ATOM 229 CB LEU A 15 4.130 -17.099 94.537 1.00 0.00 C ATOM 230 CG LEU A 15 5.105 -17.934 93.687 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.788 -19.422 93.857 1.00 0.00 C ATOM 232 CD2 LEU A 15 5.025 -17.548 92.203 1.00 0.00 C ATOM 0 H LEU A 15 2.652 -15.468 95.467 1.00 0.00 H new ATOM 0 HA LEU A 15 3.095 -16.243 92.822 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.634 -16.193 94.873 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.859 -17.663 95.430 1.00 0.00 H new ATOM 0 HG LEU A 15 6.119 -17.731 94.032 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.479 -20.012 93.255 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.893 -19.699 94.906 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.766 -19.616 93.531 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.726 -18.156 91.631 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.013 -17.719 91.837 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.280 -16.495 92.087 1.00 0.00 H new ATOM 244 N ASP A 16 1.145 -18.332 94.345 1.00 0.00 N ATOM 245 CA ASP A 16 0.273 -19.506 94.098 1.00 0.00 C ATOM 246 C ASP A 16 -0.697 -19.193 92.951 1.00 0.00 C ATOM 247 O ASP A 16 -1.135 -20.072 92.234 1.00 0.00 O ATOM 248 CB ASP A 16 -0.517 -19.797 95.370 1.00 0.00 C ATOM 249 CG ASP A 16 0.433 -19.815 96.570 1.00 0.00 C ATOM 250 OD1 ASP A 16 1.031 -18.787 96.843 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.548 -20.857 97.195 1.00 0.00 O ATOM 0 H ASP A 16 1.017 -17.883 95.252 1.00 0.00 H new ATOM 0 HA ASP A 16 0.877 -20.371 93.826 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.287 -19.039 95.514 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.027 -20.756 95.282 1.00 0.00 H new ATOM 256 N GLU A 17 -1.049 -17.946 92.788 1.00 0.00 N ATOM 257 CA GLU A 17 -2.010 -17.567 91.708 1.00 0.00 C ATOM 258 C GLU A 17 -1.304 -17.493 90.348 1.00 0.00 C ATOM 259 O GLU A 17 -1.779 -18.042 89.373 1.00 0.00 O ATOM 260 CB GLU A 17 -2.637 -16.214 92.044 1.00 0.00 C ATOM 261 CG GLU A 17 -3.851 -16.431 92.949 1.00 0.00 C ATOM 262 CD GLU A 17 -4.396 -15.079 93.406 1.00 0.00 C ATOM 263 OE1 GLU A 17 -4.746 -14.283 92.551 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.453 -14.863 94.605 1.00 0.00 O ATOM 0 H GLU A 17 -0.712 -17.170 93.357 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.787 -18.329 91.645 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.907 -15.576 92.542 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.937 -15.702 91.130 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.623 -16.984 92.413 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.570 -17.033 93.813 1.00 0.00 H new ATOM 271 N VAL A 18 -0.175 -16.842 90.258 1.00 0.00 N ATOM 272 CA VAL A 18 0.517 -16.784 88.935 1.00 0.00 C ATOM 273 C VAL A 18 0.896 -18.214 88.571 1.00 0.00 C ATOM 274 O VAL A 18 0.858 -18.617 87.425 1.00 0.00 O ATOM 275 CB VAL A 18 1.794 -15.929 89.033 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.539 -14.534 88.464 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.217 -15.825 90.496 1.00 0.00 C ATOM 0 H VAL A 18 0.291 -16.357 91.025 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.134 -16.337 88.183 1.00 0.00 H new ATOM 0 HB VAL A 18 2.589 -16.400 88.455 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.449 -13.939 88.539 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.244 -14.616 87.418 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.742 -14.051 89.029 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.121 -15.221 90.571 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.419 -15.358 91.073 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.414 -16.822 90.890 1.00 0.00 H new ATOM 287 N LYS A 19 1.242 -18.984 89.560 1.00 0.00 N ATOM 288 CA LYS A 19 1.616 -20.395 89.341 1.00 0.00 C ATOM 289 C LYS A 19 0.565 -21.098 88.485 1.00 0.00 C ATOM 290 O LYS A 19 0.877 -21.906 87.632 1.00 0.00 O ATOM 291 CB LYS A 19 1.673 -21.070 90.712 1.00 0.00 C ATOM 292 CG LYS A 19 3.075 -20.945 91.307 1.00 0.00 C ATOM 293 CD LYS A 19 3.883 -22.186 90.943 1.00 0.00 C ATOM 294 CE LYS A 19 5.305 -22.045 91.474 1.00 0.00 C ATOM 295 NZ LYS A 19 5.318 -22.293 92.945 1.00 0.00 N ATOM 0 H LYS A 19 1.280 -18.682 90.533 1.00 0.00 H new ATOM 0 HA LYS A 19 2.576 -20.452 88.827 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.945 -20.612 91.381 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.403 -22.122 90.619 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.567 -20.050 90.925 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.016 -20.839 92.390 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.413 -23.075 91.365 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.899 -22.317 89.861 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.964 -22.752 90.970 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.686 -21.046 91.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.133 -21.807 93.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.439 -21.930 93.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.391 -23.315 93.124 1.00 0.00 H new ATOM 309 N ASP A 20 -0.676 -20.825 88.743 1.00 0.00 N ATOM 310 CA ASP A 20 -1.778 -21.497 87.996 1.00 0.00 C ATOM 311 C ASP A 20 -1.828 -21.046 86.527 1.00 0.00 C ATOM 312 O ASP A 20 -1.941 -21.856 85.625 1.00 0.00 O ATOM 313 CB ASP A 20 -3.113 -21.160 88.670 1.00 0.00 C ATOM 314 CG ASP A 20 -4.145 -22.242 88.339 1.00 0.00 C ATOM 315 OD1 ASP A 20 -3.809 -23.409 88.458 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.251 -21.884 87.970 1.00 0.00 O ATOM 0 H ASP A 20 -0.984 -20.156 89.449 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.595 -22.571 88.013 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.979 -21.089 89.749 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.469 -20.188 88.329 1.00 0.00 H new ATOM 321 N TYR A 21 -1.783 -19.767 86.280 1.00 0.00 N ATOM 322 CA TYR A 21 -1.878 -19.278 84.872 1.00 0.00 C ATOM 323 C TYR A 21 -0.765 -19.876 84.006 1.00 0.00 C ATOM 324 O TYR A 21 -1.029 -20.459 82.974 1.00 0.00 O ATOM 325 CB TYR A 21 -1.787 -17.751 84.857 1.00 0.00 C ATOM 326 CG TYR A 21 -3.092 -17.175 85.353 1.00 0.00 C ATOM 327 CD1 TYR A 21 -4.159 -16.991 84.466 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.237 -16.834 86.703 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.372 -16.466 84.929 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.451 -16.311 87.166 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.518 -16.126 86.279 1.00 0.00 C ATOM 332 OH TYR A 21 -6.713 -15.612 86.736 1.00 0.00 O ATOM 0 H TYR A 21 -1.685 -19.039 86.988 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.835 -19.594 84.458 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.964 -17.417 85.489 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.579 -17.396 83.848 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.047 -17.254 83.425 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.413 -16.974 87.387 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.195 -16.323 84.244 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.564 -16.050 88.208 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.645 -15.431 87.697 1.00 0.00 H new ATOM 342 N VAL A 22 0.473 -19.742 84.395 1.00 0.00 N ATOM 343 CA VAL A 22 1.559 -20.318 83.557 1.00 0.00 C ATOM 344 C VAL A 22 1.455 -21.844 83.568 1.00 0.00 C ATOM 345 O VAL A 22 1.992 -22.515 82.710 1.00 0.00 O ATOM 346 CB VAL A 22 2.926 -19.871 84.076 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.245 -20.566 85.398 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.994 -20.224 83.039 1.00 0.00 C ATOM 0 H VAL A 22 0.776 -19.266 85.245 1.00 0.00 H new ATOM 0 HA VAL A 22 1.451 -19.960 82.533 1.00 0.00 H new ATOM 0 HB VAL A 22 2.912 -18.794 84.243 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.221 -20.238 85.755 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.484 -20.311 86.136 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.258 -21.646 85.248 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.972 -19.908 83.402 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.999 -21.301 82.874 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.773 -19.714 82.101 1.00 0.00 H new ATOM 358 N ALA A 23 0.748 -22.403 84.518 1.00 0.00 N ATOM 359 CA ALA A 23 0.606 -23.883 84.545 1.00 0.00 C ATOM 360 C ALA A 23 0.008 -24.304 83.209 1.00 0.00 C ATOM 361 O ALA A 23 0.140 -25.430 82.771 1.00 0.00 O ATOM 362 CB ALA A 23 -0.336 -24.301 85.678 1.00 0.00 C ATOM 0 H ALA A 23 0.269 -21.902 85.266 1.00 0.00 H new ATOM 0 HA ALA A 23 1.574 -24.356 84.710 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.433 -25.387 85.689 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.070 -23.963 86.632 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.316 -23.851 85.521 1.00 0.00 H new ATOM 368 N LYS A 24 -0.635 -23.381 82.550 1.00 0.00 N ATOM 369 CA LYS A 24 -1.238 -23.682 81.229 1.00 0.00 C ATOM 370 C LYS A 24 -0.149 -24.194 80.284 1.00 0.00 C ATOM 371 O LYS A 24 0.002 -25.384 80.084 1.00 0.00 O ATOM 372 CB LYS A 24 -1.860 -22.400 80.659 1.00 0.00 C ATOM 373 CG LYS A 24 -3.254 -22.194 81.258 1.00 0.00 C ATOM 374 CD LYS A 24 -4.288 -22.981 80.443 1.00 0.00 C ATOM 375 CE LYS A 24 -5.480 -23.334 81.334 1.00 0.00 C ATOM 376 NZ LYS A 24 -6.661 -23.650 80.483 1.00 0.00 N ATOM 0 H LYS A 24 -0.768 -22.424 82.876 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.010 -24.444 81.335 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.225 -21.544 80.887 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.926 -22.468 79.573 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.267 -22.525 82.296 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.507 -21.134 81.258 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.621 -22.390 79.590 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.837 -23.890 80.044 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.235 -24.188 81.966 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.710 -22.501 81.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.471 -23.890 81.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.899 -22.823 79.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.439 -24.458 79.867 1.00 0.00 H new ATOM 390 N GLY A 25 0.616 -23.312 79.704 1.00 0.00 N ATOM 391 CA GLY A 25 1.691 -23.769 78.777 1.00 0.00 C ATOM 392 C GLY A 25 2.657 -22.626 78.450 1.00 0.00 C ATOM 393 O GLY A 25 2.514 -21.943 77.457 1.00 0.00 O ATOM 0 H GLY A 25 0.546 -22.302 79.829 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.239 -24.595 79.230 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.246 -24.148 77.857 1.00 0.00 H new ATOM 397 N GLU A 26 3.647 -22.441 79.279 1.00 0.00 N ATOM 398 CA GLU A 26 4.672 -21.372 79.051 1.00 0.00 C ATOM 399 C GLU A 26 4.062 -20.136 78.380 1.00 0.00 C ATOM 400 O GLU A 26 3.854 -20.095 77.184 1.00 0.00 O ATOM 401 CB GLU A 26 5.825 -21.912 78.193 1.00 0.00 C ATOM 402 CG GLU A 26 5.292 -22.838 77.100 1.00 0.00 C ATOM 403 CD GLU A 26 6.457 -23.295 76.222 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.523 -23.536 76.768 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.268 -23.394 75.023 1.00 0.00 O ATOM 0 H GLU A 26 3.795 -22.995 80.123 1.00 0.00 H new ATOM 0 HA GLU A 26 5.054 -21.073 80.027 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.369 -21.083 77.741 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.532 -22.452 78.822 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.796 -23.700 77.546 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.547 -22.319 76.497 1.00 0.00 H new ATOM 412 N ASP A 27 3.815 -19.117 79.152 1.00 0.00 N ATOM 413 CA ASP A 27 3.261 -17.850 78.599 1.00 0.00 C ATOM 414 C ASP A 27 3.810 -16.705 79.445 1.00 0.00 C ATOM 415 O ASP A 27 3.161 -15.701 79.657 1.00 0.00 O ATOM 416 CB ASP A 27 1.732 -17.859 78.680 1.00 0.00 C ATOM 417 CG ASP A 27 1.175 -18.953 77.768 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.248 -18.786 76.561 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.683 -19.939 78.291 1.00 0.00 O ATOM 0 H ASP A 27 3.976 -19.108 80.159 1.00 0.00 H new ATOM 0 HA ASP A 27 3.546 -17.737 77.553 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.413 -18.032 79.708 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.337 -16.888 78.383 1.00 0.00 H new ATOM 424 N VAL A 28 5.001 -16.871 79.950 1.00 0.00 N ATOM 425 CA VAL A 28 5.610 -15.823 80.812 1.00 0.00 C ATOM 426 C VAL A 28 6.178 -14.691 79.951 1.00 0.00 C ATOM 427 O VAL A 28 7.373 -14.476 79.889 1.00 0.00 O ATOM 428 CB VAL A 28 6.716 -16.452 81.657 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.082 -17.408 82.670 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.680 -17.234 80.754 1.00 0.00 C ATOM 0 H VAL A 28 5.582 -17.696 79.800 1.00 0.00 H new ATOM 0 HA VAL A 28 4.847 -15.403 81.467 1.00 0.00 H new ATOM 0 HB VAL A 28 7.269 -15.669 82.177 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.863 -17.863 83.279 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.397 -16.855 83.312 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.534 -18.188 82.141 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.467 -17.680 81.362 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.134 -18.020 80.233 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.125 -16.557 80.025 1.00 0.00 H new ATOM 440 N ASN A 29 5.321 -13.964 79.297 1.00 0.00 N ATOM 441 CA ASN A 29 5.774 -12.839 78.447 1.00 0.00 C ATOM 442 C ASN A 29 4.539 -12.133 77.889 1.00 0.00 C ATOM 443 O ASN A 29 4.504 -11.718 76.747 1.00 0.00 O ATOM 444 CB ASN A 29 6.631 -13.372 77.301 1.00 0.00 C ATOM 445 CG ASN A 29 6.036 -14.676 76.774 1.00 0.00 C ATOM 446 OD1 ASN A 29 5.395 -14.691 75.742 1.00 0.00 O ATOM 447 ND2 ASN A 29 6.222 -15.777 77.443 1.00 0.00 N ATOM 0 H ASN A 29 4.311 -14.106 79.317 1.00 0.00 H new ATOM 0 HA ASN A 29 6.371 -12.140 79.032 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.682 -12.635 76.500 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.651 -13.540 77.645 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.829 -16.654 77.101 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.760 -15.763 78.309 1.00 0.00 H new ATOM 454 N ARG A 30 3.519 -12.010 78.695 1.00 0.00 N ATOM 455 CA ARG A 30 2.265 -11.344 78.238 1.00 0.00 C ATOM 456 C ARG A 30 2.152 -9.960 78.875 1.00 0.00 C ATOM 457 O ARG A 30 1.946 -9.834 80.066 1.00 0.00 O ATOM 458 CB ARG A 30 1.060 -12.183 78.672 1.00 0.00 C ATOM 459 CG ARG A 30 1.128 -13.569 78.030 1.00 0.00 C ATOM 460 CD ARG A 30 -0.165 -14.332 78.333 1.00 0.00 C ATOM 461 NE ARG A 30 -0.197 -14.713 79.774 1.00 0.00 N ATOM 462 CZ ARG A 30 -1.320 -15.085 80.325 1.00 0.00 C ATOM 463 NH1 ARG A 30 -2.416 -15.115 79.617 1.00 0.00 N ATOM 464 NH2 ARG A 30 -1.349 -15.424 81.585 1.00 0.00 N ATOM 0 H ARG A 30 3.501 -12.345 79.658 1.00 0.00 H new ATOM 0 HA ARG A 30 2.287 -11.249 77.152 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.044 -12.277 79.758 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.136 -11.684 78.382 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.265 -13.477 76.953 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.987 -14.119 78.415 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.029 -13.713 78.091 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.227 -15.224 77.709 1.00 0.00 H new ATOM 0 HE ARG A 30 0.658 -14.683 80.329 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.395 -14.848 78.633 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.294 -15.406 80.048 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.494 -15.398 82.140 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.227 -15.715 82.015 1.00 0.00 H new ATOM 478 N THR A 31 2.257 -8.918 78.098 1.00 0.00 N ATOM 479 CA THR A 31 2.124 -7.557 78.684 1.00 0.00 C ATOM 480 C THR A 31 0.761 -7.475 79.380 1.00 0.00 C ATOM 481 O THR A 31 -0.246 -7.216 78.754 1.00 0.00 O ATOM 482 CB THR A 31 2.201 -6.507 77.570 1.00 0.00 C ATOM 483 OG1 THR A 31 3.213 -6.875 76.643 1.00 0.00 O ATOM 484 CG2 THR A 31 2.532 -5.141 78.171 1.00 0.00 C ATOM 0 H THR A 31 2.427 -8.949 77.093 1.00 0.00 H new ATOM 0 HA THR A 31 2.926 -7.368 79.397 1.00 0.00 H new ATOM 0 HB THR A 31 1.240 -6.452 77.059 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.262 -6.205 75.929 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.586 -4.397 77.376 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.755 -4.858 78.881 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.492 -5.193 78.685 1.00 0.00 H new ATOM 492 N LEU A 32 0.709 -7.737 80.661 1.00 0.00 N ATOM 493 CA LEU A 32 -0.613 -7.714 81.359 1.00 0.00 C ATOM 494 C LEU A 32 -1.084 -6.275 81.613 1.00 0.00 C ATOM 495 O LEU A 32 -2.266 -6.028 81.740 1.00 0.00 O ATOM 496 CB LEU A 32 -0.564 -8.540 82.669 1.00 0.00 C ATOM 497 CG LEU A 32 0.385 -7.947 83.734 1.00 0.00 C ATOM 498 CD1 LEU A 32 1.793 -7.763 83.168 1.00 0.00 C ATOM 499 CD2 LEU A 32 -0.142 -6.598 84.245 1.00 0.00 C ATOM 0 H LEU A 32 1.512 -7.963 81.248 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.347 -8.183 80.703 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.569 -8.606 83.086 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.247 -9.557 82.437 1.00 0.00 H new ATOM 0 HG LEU A 32 0.427 -8.650 84.566 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.442 -7.344 83.937 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.185 -8.728 82.848 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.757 -7.085 82.315 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.543 -6.200 84.994 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.217 -5.898 83.413 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.127 -6.737 84.691 1.00 0.00 H new ATOM 511 N GLU A 33 -0.198 -5.319 81.665 1.00 0.00 N ATOM 512 CA GLU A 33 -0.653 -3.913 81.881 1.00 0.00 C ATOM 513 C GLU A 33 -1.017 -3.294 80.528 1.00 0.00 C ATOM 514 O GLU A 33 -2.151 -3.337 80.093 1.00 0.00 O ATOM 515 CB GLU A 33 0.456 -3.093 82.536 1.00 0.00 C ATOM 516 CG GLU A 33 -0.022 -1.648 82.703 1.00 0.00 C ATOM 517 CD GLU A 33 0.879 -0.918 83.701 1.00 0.00 C ATOM 518 OE1 GLU A 33 1.517 -1.588 84.495 1.00 0.00 O ATOM 519 OE2 GLU A 33 0.911 0.300 83.655 1.00 0.00 O ATOM 0 H GLU A 33 0.810 -5.446 81.569 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.523 -3.913 82.538 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.715 -3.518 83.506 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.357 -3.123 81.924 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.005 -1.136 81.741 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.054 -1.635 83.053 1.00 0.00 H new ATOM 526 N GLY A 34 -0.049 -2.724 79.865 1.00 0.00 N ATOM 527 CA GLY A 34 -0.290 -2.099 78.530 1.00 0.00 C ATOM 528 C GLY A 34 1.059 -1.957 77.829 1.00 0.00 C ATOM 529 O GLY A 34 1.148 -1.797 76.628 1.00 0.00 O ATOM 0 H GLY A 34 0.914 -2.663 80.195 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.966 -2.715 77.937 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.765 -1.125 78.645 1.00 0.00 H new ATOM 533 N GLY A 35 2.108 -2.031 78.595 1.00 0.00 N ATOM 534 CA GLY A 35 3.481 -1.923 78.036 1.00 0.00 C ATOM 535 C GLY A 35 4.467 -2.484 79.063 1.00 0.00 C ATOM 536 O GLY A 35 5.644 -2.192 79.034 1.00 0.00 O ATOM 0 H GLY A 35 2.071 -2.165 79.606 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.554 -2.476 77.099 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.718 -0.883 77.811 1.00 0.00 H new ATOM 540 N ARG A 36 3.981 -3.278 79.987 1.00 0.00 N ATOM 541 CA ARG A 36 4.872 -3.854 81.038 1.00 0.00 C ATOM 542 C ARG A 36 4.714 -5.383 81.084 1.00 0.00 C ATOM 543 O ARG A 36 3.642 -5.912 80.860 1.00 0.00 O ATOM 544 CB ARG A 36 4.480 -3.262 82.393 1.00 0.00 C ATOM 545 CG ARG A 36 4.192 -1.757 82.251 1.00 0.00 C ATOM 546 CD ARG A 36 4.319 -1.087 83.625 1.00 0.00 C ATOM 547 NE ARG A 36 3.394 0.088 83.712 1.00 0.00 N ATOM 548 CZ ARG A 36 3.404 1.030 82.807 1.00 0.00 C ATOM 549 NH1 ARG A 36 4.295 1.023 81.855 1.00 0.00 N ATOM 550 NH2 ARG A 36 2.533 2.001 82.875 1.00 0.00 N ATOM 0 H ARG A 36 3.001 -3.552 80.057 1.00 0.00 H new ATOM 0 HA ARG A 36 5.910 -3.613 80.808 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.599 -3.773 82.781 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.283 -3.420 83.113 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.891 -1.306 81.547 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.191 -1.603 81.849 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.083 -1.804 84.411 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.347 -0.763 83.787 1.00 0.00 H new ATOM 0 HE ARG A 36 2.743 0.154 84.494 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.991 0.278 81.813 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.296 1.762 81.152 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.850 2.021 83.632 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.536 2.739 82.171 1.00 0.00 H new ATOM 564 N LYS A 37 5.779 -6.093 81.382 1.00 0.00 N ATOM 565 CA LYS A 37 5.708 -7.590 81.448 1.00 0.00 C ATOM 566 C LYS A 37 5.513 -8.026 82.916 1.00 0.00 C ATOM 567 O LYS A 37 5.710 -7.235 83.815 1.00 0.00 O ATOM 568 CB LYS A 37 7.019 -8.183 80.893 1.00 0.00 C ATOM 569 CG LYS A 37 8.073 -7.079 80.759 1.00 0.00 C ATOM 570 CD LYS A 37 8.480 -6.574 82.153 1.00 0.00 C ATOM 571 CE LYS A 37 9.099 -5.179 82.038 1.00 0.00 C ATOM 572 NZ LYS A 37 10.066 -5.152 80.905 1.00 0.00 N ATOM 0 H LYS A 37 6.698 -5.698 81.583 1.00 0.00 H new ATOM 0 HA LYS A 37 4.869 -7.950 80.853 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.383 -8.967 81.556 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.838 -8.645 79.922 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.947 -7.460 80.231 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.676 -6.255 80.165 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.609 -6.543 82.807 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.194 -7.263 82.605 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.318 -4.436 81.880 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.605 -4.917 82.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.559 -4.237 80.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.760 -5.918 81.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.555 -5.283 80.009 1.00 0.00 H new ATOM 586 N PRO A 38 5.122 -9.271 83.117 1.00 0.00 N ATOM 587 CA PRO A 38 4.880 -9.821 84.476 1.00 0.00 C ATOM 588 C PRO A 38 6.180 -9.984 85.287 1.00 0.00 C ATOM 589 O PRO A 38 6.243 -10.797 86.191 1.00 0.00 O ATOM 590 CB PRO A 38 4.253 -11.201 84.222 1.00 0.00 C ATOM 591 CG PRO A 38 4.436 -11.525 82.717 1.00 0.00 C ATOM 592 CD PRO A 38 4.871 -10.226 82.015 1.00 0.00 C ATOM 0 HA PRO A 38 4.248 -9.152 85.060 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.734 -11.960 84.839 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.196 -11.197 84.488 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.186 -12.304 82.581 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.506 -11.899 82.289 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.767 -10.381 81.414 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.095 -9.860 81.343 1.00 0.00 H new ATOM 600 N LEU A 39 7.213 -9.237 84.988 1.00 0.00 N ATOM 601 CA LEU A 39 8.489 -9.388 85.765 1.00 0.00 C ATOM 602 C LEU A 39 8.757 -8.114 86.587 1.00 0.00 C ATOM 603 O LEU A 39 9.479 -8.134 87.565 1.00 0.00 O ATOM 604 CB LEU A 39 9.643 -9.628 84.774 1.00 0.00 C ATOM 605 CG LEU A 39 10.879 -10.311 85.430 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.556 -10.943 86.788 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.405 -11.403 84.491 1.00 0.00 C ATOM 0 H LEU A 39 7.232 -8.535 84.248 1.00 0.00 H new ATOM 0 HA LEU A 39 8.408 -10.232 86.450 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.285 -10.249 83.953 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.948 -8.674 84.343 1.00 0.00 H new ATOM 0 HG LEU A 39 11.627 -9.536 85.597 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.455 -11.404 87.198 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.199 -10.173 87.472 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.784 -11.702 86.662 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.271 -11.886 84.944 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.624 -12.144 84.321 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.695 -10.956 83.540 1.00 0.00 H new ATOM 619 N HIS A 40 8.188 -7.005 86.197 1.00 0.00 N ATOM 620 CA HIS A 40 8.432 -5.737 86.951 1.00 0.00 C ATOM 621 C HIS A 40 7.699 -5.766 88.295 1.00 0.00 C ATOM 622 O HIS A 40 8.256 -5.423 89.320 1.00 0.00 O ATOM 623 CB HIS A 40 7.929 -4.547 86.127 1.00 0.00 C ATOM 624 CG HIS A 40 8.316 -3.265 86.813 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.570 -2.693 86.658 1.00 0.00 N ATOM 626 CD2 HIS A 40 7.627 -2.431 87.660 1.00 0.00 C ATOM 627 CE1 HIS A 40 9.597 -1.568 87.397 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.438 -1.362 88.028 1.00 0.00 N ATOM 0 H HIS A 40 7.567 -6.920 85.392 1.00 0.00 H new ATOM 0 HA HIS A 40 9.502 -5.637 87.132 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.355 -4.579 85.124 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.846 -4.600 86.015 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.610 -2.582 87.990 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.452 -0.912 87.471 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.199 -0.587 88.647 1.00 0.00 H new ATOM 636 N TYR A 41 6.462 -6.179 88.309 1.00 0.00 N ATOM 637 CA TYR A 41 5.718 -6.234 89.598 1.00 0.00 C ATOM 638 C TYR A 41 6.352 -7.311 90.462 1.00 0.00 C ATOM 639 O TYR A 41 6.535 -7.151 91.654 1.00 0.00 O ATOM 640 CB TYR A 41 4.263 -6.597 89.326 1.00 0.00 C ATOM 641 CG TYR A 41 3.801 -5.841 88.115 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.078 -6.333 86.836 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.113 -4.637 88.274 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.664 -5.615 85.711 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.696 -3.921 87.154 1.00 0.00 C ATOM 646 CZ TYR A 41 2.972 -4.406 85.871 1.00 0.00 C ATOM 647 OH TYR A 41 2.565 -3.693 84.766 1.00 0.00 O ATOM 0 H TYR A 41 5.936 -6.479 87.488 1.00 0.00 H new ATOM 0 HA TYR A 41 5.758 -5.268 90.102 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.165 -7.670 89.163 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.643 -6.348 90.187 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.610 -7.265 86.718 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.904 -4.261 89.265 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.876 -5.990 84.721 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.160 -2.992 87.276 1.00 0.00 H new ATOM 0 HH TYR A 41 1.946 -2.985 85.043 1.00 0.00 H new ATOM 657 N ALA A 42 6.711 -8.403 89.856 1.00 0.00 N ATOM 658 CA ALA A 42 7.358 -9.495 90.618 1.00 0.00 C ATOM 659 C ALA A 42 8.701 -8.982 91.104 1.00 0.00 C ATOM 660 O ALA A 42 8.992 -8.964 92.283 1.00 0.00 O ATOM 661 CB ALA A 42 7.579 -10.693 89.693 1.00 0.00 C ATOM 0 H ALA A 42 6.583 -8.585 88.861 1.00 0.00 H new ATOM 0 HA ALA A 42 6.735 -9.802 91.458 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.055 -11.500 90.250 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.619 -11.036 89.307 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.220 -10.398 88.862 1.00 0.00 H new ATOM 667 N ALA A 43 9.515 -8.540 90.194 1.00 0.00 N ATOM 668 CA ALA A 43 10.837 -8.008 90.590 1.00 0.00 C ATOM 669 C ALA A 43 10.626 -6.875 91.595 1.00 0.00 C ATOM 670 O ALA A 43 11.098 -6.922 92.713 1.00 0.00 O ATOM 671 CB ALA A 43 11.540 -7.454 89.345 1.00 0.00 C ATOM 0 H ALA A 43 9.320 -8.525 89.193 1.00 0.00 H new ATOM 0 HA ALA A 43 11.444 -8.795 91.038 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.517 -7.059 89.624 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.667 -8.252 88.614 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.936 -6.657 88.911 1.00 0.00 H new ATOM 677 N ASP A 44 9.925 -5.853 91.189 1.00 0.00 N ATOM 678 CA ASP A 44 9.681 -4.683 92.080 1.00 0.00 C ATOM 679 C ASP A 44 9.059 -5.093 93.422 1.00 0.00 C ATOM 680 O ASP A 44 9.342 -4.489 94.436 1.00 0.00 O ATOM 681 CB ASP A 44 8.737 -3.710 91.374 1.00 0.00 C ATOM 682 CG ASP A 44 8.570 -2.454 92.227 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.292 -2.595 93.407 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.723 -1.370 91.688 1.00 0.00 O ATOM 0 H ASP A 44 9.504 -5.778 90.263 1.00 0.00 H new ATOM 0 HA ASP A 44 10.644 -4.217 92.288 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.135 -3.447 90.394 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.768 -4.182 91.208 1.00 0.00 H new ATOM 689 N CYS A 45 8.202 -6.082 93.455 1.00 0.00 N ATOM 690 CA CYS A 45 7.571 -6.452 94.762 1.00 0.00 C ATOM 691 C CYS A 45 7.004 -7.870 94.711 1.00 0.00 C ATOM 692 O CYS A 45 5.834 -8.083 94.957 1.00 0.00 O ATOM 693 CB CYS A 45 6.410 -5.493 95.044 1.00 0.00 C ATOM 694 SG CYS A 45 7.048 -3.848 95.440 1.00 0.00 S ATOM 0 H CYS A 45 7.915 -6.641 92.651 1.00 0.00 H new ATOM 0 HA CYS A 45 8.333 -6.393 95.539 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.754 -5.438 94.175 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.810 -5.869 95.873 1.00 0.00 H new ATOM 0 HG CYS A 45 7.994 -3.537 94.605 1.00 0.00 H new ATOM 700 N GLY A 46 7.819 -8.842 94.414 1.00 0.00 N ATOM 701 CA GLY A 46 7.316 -10.253 94.370 1.00 0.00 C ATOM 702 C GLY A 46 7.993 -11.060 95.473 1.00 0.00 C ATOM 703 O GLY A 46 8.407 -12.180 95.256 1.00 0.00 O ATOM 0 H GLY A 46 8.810 -8.727 94.200 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.234 -10.271 94.502 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.526 -10.697 93.397 1.00 0.00 H new ATOM 707 N GLN A 47 8.139 -10.490 96.645 1.00 0.00 N ATOM 708 CA GLN A 47 8.835 -11.213 97.756 1.00 0.00 C ATOM 709 C GLN A 47 10.034 -11.969 97.157 1.00 0.00 C ATOM 710 O GLN A 47 10.547 -12.914 97.721 1.00 0.00 O ATOM 711 CB GLN A 47 7.881 -12.177 98.502 1.00 0.00 C ATOM 712 CG GLN A 47 6.496 -12.210 97.843 1.00 0.00 C ATOM 713 CD GLN A 47 5.870 -10.820 97.847 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.293 -10.396 96.866 1.00 0.00 O ATOM 715 NE2 GLN A 47 5.952 -10.093 98.914 1.00 0.00 N ATOM 0 H GLN A 47 7.806 -9.555 96.880 1.00 0.00 H new ATOM 0 HA GLN A 47 9.180 -10.492 98.497 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.307 -13.180 98.509 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.784 -11.864 99.542 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.582 -12.573 96.819 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.850 -12.908 98.375 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.437 -10.449 99.738 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.532 -9.164 98.931 1.00 0.00 H new ATOM 724 N LEU A 48 10.485 -11.512 96.013 1.00 0.00 N ATOM 725 CA LEU A 48 11.666 -12.114 95.319 1.00 0.00 C ATOM 726 C LEU A 48 11.458 -13.584 94.952 1.00 0.00 C ATOM 727 O LEU A 48 12.363 -14.239 94.476 1.00 0.00 O ATOM 728 CB LEU A 48 12.892 -11.991 96.206 1.00 0.00 C ATOM 729 CG LEU A 48 13.288 -10.509 96.413 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.565 -9.575 95.430 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.948 -10.081 97.843 1.00 0.00 C ATOM 0 H LEU A 48 10.070 -10.723 95.518 1.00 0.00 H new ATOM 0 HA LEU A 48 11.802 -11.564 94.388 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.693 -12.455 97.172 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.724 -12.533 95.757 1.00 0.00 H new ATOM 0 HG LEU A 48 14.360 -10.430 96.231 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.874 -8.546 95.612 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.820 -9.855 94.408 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.488 -9.661 95.572 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.228 -9.037 97.987 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.877 -10.197 98.013 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.497 -10.704 98.549 1.00 0.00 H new ATOM 743 N GLU A 49 10.296 -14.105 95.154 1.00 0.00 N ATOM 744 CA GLU A 49 10.045 -15.529 94.784 1.00 0.00 C ATOM 745 C GLU A 49 9.358 -15.582 93.419 1.00 0.00 C ATOM 746 O GLU A 49 9.603 -16.457 92.616 1.00 0.00 O ATOM 747 CB GLU A 49 9.140 -16.196 95.821 1.00 0.00 C ATOM 748 CG GLU A 49 8.017 -15.236 96.209 1.00 0.00 C ATOM 749 CD GLU A 49 7.043 -15.940 97.157 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.490 -16.424 98.185 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.867 -15.984 96.839 1.00 0.00 O ATOM 0 H GLU A 49 9.499 -13.614 95.560 1.00 0.00 H new ATOM 0 HA GLU A 49 10.998 -16.057 94.748 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.722 -17.117 95.415 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.719 -16.470 96.703 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.432 -14.350 96.690 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.491 -14.897 95.317 1.00 0.00 H new ATOM 758 N ILE A 50 8.469 -14.662 93.181 1.00 0.00 N ATOM 759 CA ILE A 50 7.704 -14.644 91.903 1.00 0.00 C ATOM 760 C ILE A 50 8.619 -14.399 90.709 1.00 0.00 C ATOM 761 O ILE A 50 8.431 -14.980 89.657 1.00 0.00 O ATOM 762 CB ILE A 50 6.659 -13.534 91.988 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.779 -13.776 93.237 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.812 -13.516 90.705 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.291 -13.619 92.908 1.00 0.00 C ATOM 0 H ILE A 50 8.235 -13.909 93.828 1.00 0.00 H new ATOM 0 HA ILE A 50 7.228 -15.614 91.759 1.00 0.00 H new ATOM 0 HB ILE A 50 7.144 -12.562 92.080 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.964 -14.777 93.626 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.056 -13.072 94.022 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.068 -12.722 90.771 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.458 -13.337 89.845 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.309 -14.476 90.588 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.699 -13.795 93.806 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.104 -12.609 92.542 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.010 -14.341 92.141 1.00 0.00 H new ATOM 777 N LEU A 51 9.588 -13.542 90.835 1.00 0.00 N ATOM 778 CA LEU A 51 10.465 -13.284 89.662 1.00 0.00 C ATOM 779 C LEU A 51 11.176 -14.584 89.268 1.00 0.00 C ATOM 780 O LEU A 51 11.136 -15.006 88.132 1.00 0.00 O ATOM 781 CB LEU A 51 11.510 -12.162 89.920 1.00 0.00 C ATOM 782 CG LEU A 51 11.780 -11.866 91.406 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.509 -11.405 92.133 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.366 -13.097 92.092 1.00 0.00 C ATOM 0 H LEU A 51 9.810 -13.017 91.681 1.00 0.00 H new ATOM 0 HA LEU A 51 9.829 -12.935 88.849 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.449 -12.442 89.443 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.167 -11.247 89.437 1.00 0.00 H new ATOM 0 HG LEU A 51 12.502 -11.051 91.456 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.740 -11.206 93.179 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.132 -10.496 91.665 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.751 -12.186 92.071 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.552 -12.874 93.143 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.662 -13.926 92.016 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.303 -13.372 91.608 1.00 0.00 H new ATOM 796 N GLU A 52 11.823 -15.216 90.199 1.00 0.00 N ATOM 797 CA GLU A 52 12.541 -16.484 89.891 1.00 0.00 C ATOM 798 C GLU A 52 11.565 -17.507 89.303 1.00 0.00 C ATOM 799 O GLU A 52 11.952 -18.387 88.561 1.00 0.00 O ATOM 800 CB GLU A 52 13.138 -17.056 91.190 1.00 0.00 C ATOM 801 CG GLU A 52 14.662 -16.918 91.187 1.00 0.00 C ATOM 802 CD GLU A 52 15.274 -18.027 90.328 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.679 -18.361 89.317 1.00 0.00 O ATOM 804 OE2 GLU A 52 16.323 -18.528 90.700 1.00 0.00 O ATOM 0 H GLU A 52 11.888 -14.909 91.169 1.00 0.00 H new ATOM 0 HA GLU A 52 13.333 -16.280 89.170 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.721 -16.532 92.050 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.862 -18.106 91.292 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.948 -15.941 90.797 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.045 -16.979 92.206 1.00 0.00 H new ATOM 811 N PHE A 53 10.313 -17.425 89.664 1.00 0.00 N ATOM 812 CA PHE A 53 9.318 -18.422 89.171 1.00 0.00 C ATOM 813 C PHE A 53 9.095 -18.328 87.659 1.00 0.00 C ATOM 814 O PHE A 53 9.629 -19.102 86.889 1.00 0.00 O ATOM 815 CB PHE A 53 7.979 -18.200 89.872 1.00 0.00 C ATOM 816 CG PHE A 53 6.942 -19.112 89.256 1.00 0.00 C ATOM 817 CD1 PHE A 53 7.140 -20.501 89.253 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.785 -18.570 88.684 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.181 -21.343 88.679 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.827 -19.414 88.112 1.00 0.00 C ATOM 821 CZ PHE A 53 5.025 -20.800 88.110 1.00 0.00 C ATOM 0 H PHE A 53 9.934 -16.707 90.282 1.00 0.00 H new ATOM 0 HA PHE A 53 9.720 -19.410 89.395 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.074 -18.405 90.938 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.671 -17.159 89.773 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.032 -20.920 89.694 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.632 -17.501 88.684 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.334 -22.412 88.675 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.934 -18.996 87.672 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.284 -21.450 87.669 1.00 0.00 H new ATOM 831 N LEU A 54 8.262 -17.422 87.225 1.00 0.00 N ATOM 832 CA LEU A 54 7.968 -17.336 85.767 1.00 0.00 C ATOM 833 C LEU A 54 9.260 -17.165 84.965 1.00 0.00 C ATOM 834 O LEU A 54 9.275 -17.321 83.762 1.00 0.00 O ATOM 835 CB LEU A 54 7.013 -16.169 85.475 1.00 0.00 C ATOM 836 CG LEU A 54 7.110 -15.081 86.546 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.565 -14.647 86.721 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.267 -13.873 86.110 1.00 0.00 C ATOM 0 H LEU A 54 7.776 -16.743 87.811 1.00 0.00 H new ATOM 0 HA LEU A 54 7.488 -18.267 85.465 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.247 -15.742 84.500 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.989 -16.540 85.424 1.00 0.00 H new ATOM 0 HG LEU A 54 6.740 -15.472 87.494 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.624 -13.872 87.485 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.166 -15.504 87.025 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.944 -14.255 85.777 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.331 -13.092 86.868 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.644 -13.490 85.162 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.228 -14.179 85.990 1.00 0.00 H new ATOM 850 N LEU A 55 10.342 -16.853 85.608 1.00 0.00 N ATOM 851 CA LEU A 55 11.615 -16.681 84.855 1.00 0.00 C ATOM 852 C LEU A 55 12.208 -18.053 84.522 1.00 0.00 C ATOM 853 O LEU A 55 12.650 -18.292 83.416 1.00 0.00 O ATOM 854 CB LEU A 55 12.603 -15.868 85.696 1.00 0.00 C ATOM 855 CG LEU A 55 13.754 -15.357 84.818 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.558 -14.320 85.602 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.680 -16.519 84.427 1.00 0.00 C ATOM 0 H LEU A 55 10.405 -16.709 86.616 1.00 0.00 H new ATOM 0 HA LEU A 55 11.418 -16.148 83.925 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.089 -15.026 86.161 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.998 -16.485 86.503 1.00 0.00 H new ATOM 0 HG LEU A 55 13.341 -14.910 83.914 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.378 -13.952 84.985 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.909 -13.488 85.877 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.961 -14.779 86.505 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.492 -16.143 83.804 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.093 -16.974 85.327 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.112 -17.265 83.871 1.00 0.00 H new ATOM 869 N LEU A 56 12.223 -18.964 85.459 1.00 0.00 N ATOM 870 CA LEU A 56 12.801 -20.307 85.147 1.00 0.00 C ATOM 871 C LEU A 56 11.963 -20.969 84.056 1.00 0.00 C ATOM 872 O LEU A 56 12.428 -21.831 83.333 1.00 0.00 O ATOM 873 CB LEU A 56 12.915 -21.211 86.393 1.00 0.00 C ATOM 874 CG LEU A 56 11.676 -21.119 87.287 1.00 0.00 C ATOM 875 CD1 LEU A 56 10.589 -22.063 86.771 1.00 0.00 C ATOM 876 CD2 LEU A 56 12.068 -21.536 88.708 1.00 0.00 C ATOM 0 H LEU A 56 11.869 -18.843 86.408 1.00 0.00 H new ATOM 0 HA LEU A 56 13.821 -20.164 84.790 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.058 -22.245 86.078 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.797 -20.927 86.967 1.00 0.00 H new ATOM 0 HG LEU A 56 11.295 -20.098 87.280 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.711 -21.992 87.413 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.318 -21.784 85.753 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.962 -23.087 86.780 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.195 -21.476 89.359 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.442 -22.560 88.697 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.845 -20.869 89.081 1.00 0.00 H new ATOM 888 N LYS A 57 10.746 -20.529 83.894 1.00 0.00 N ATOM 889 CA LYS A 57 9.890 -21.077 82.811 1.00 0.00 C ATOM 890 C LYS A 57 10.440 -20.503 81.506 1.00 0.00 C ATOM 891 O LYS A 57 11.384 -21.019 80.941 1.00 0.00 O ATOM 892 CB LYS A 57 8.441 -20.615 83.032 1.00 0.00 C ATOM 893 CG LYS A 57 7.540 -21.069 81.868 1.00 0.00 C ATOM 894 CD LYS A 57 7.388 -22.596 81.858 1.00 0.00 C ATOM 895 CE LYS A 57 6.990 -23.111 83.249 1.00 0.00 C ATOM 896 NZ LYS A 57 6.059 -22.145 83.907 1.00 0.00 N ATOM 0 H LYS A 57 10.308 -19.810 84.469 1.00 0.00 H new ATOM 0 HA LYS A 57 9.897 -22.167 82.791 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.064 -21.022 83.970 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.410 -19.529 83.120 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.559 -20.602 81.958 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.966 -20.735 80.922 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.633 -22.886 81.127 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.326 -23.058 81.548 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.512 -24.087 83.161 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.880 -23.246 83.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.523 -21.728 84.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.809 -21.391 83.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.196 -22.643 84.205 1.00 0.00 H new ATOM 910 N GLY A 58 9.906 -19.397 81.067 1.00 0.00 N ATOM 911 CA GLY A 58 10.445 -18.738 79.850 1.00 0.00 C ATOM 912 C GLY A 58 11.559 -17.806 80.326 1.00 0.00 C ATOM 913 O GLY A 58 12.495 -18.244 80.964 1.00 0.00 O ATOM 0 H GLY A 58 9.116 -18.921 81.503 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.829 -19.476 79.146 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.665 -18.179 79.332 1.00 0.00 H new ATOM 917 N ALA A 59 11.462 -16.527 80.076 1.00 0.00 N ATOM 918 CA ALA A 59 12.528 -15.615 80.587 1.00 0.00 C ATOM 919 C ALA A 59 12.378 -14.194 80.026 1.00 0.00 C ATOM 920 O ALA A 59 13.064 -13.799 79.105 1.00 0.00 O ATOM 921 CB ALA A 59 13.909 -16.176 80.225 1.00 0.00 C ATOM 0 H ALA A 59 10.709 -16.081 79.552 1.00 0.00 H new ATOM 0 HA ALA A 59 12.426 -15.557 81.671 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.683 -15.507 80.600 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.031 -17.161 80.676 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.995 -16.259 79.142 1.00 0.00 H new ATOM 927 N ASP A 60 11.517 -13.405 80.615 1.00 0.00 N ATOM 928 CA ASP A 60 11.367 -11.993 80.166 1.00 0.00 C ATOM 929 C ASP A 60 12.537 -11.211 80.764 1.00 0.00 C ATOM 930 O ASP A 60 12.612 -9.999 80.699 1.00 0.00 O ATOM 931 CB ASP A 60 10.033 -11.431 80.674 1.00 0.00 C ATOM 932 CG ASP A 60 9.896 -9.962 80.270 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.416 -9.121 80.984 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.271 -9.703 79.255 1.00 0.00 O ATOM 0 H ASP A 60 10.912 -13.680 81.388 1.00 0.00 H new ATOM 0 HA ASP A 60 11.371 -11.918 79.079 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.205 -12.009 80.262 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.979 -11.525 81.759 1.00 0.00 H new ATOM 939 N ILE A 61 13.444 -11.934 81.362 1.00 0.00 N ATOM 940 CA ILE A 61 14.639 -11.324 82.008 1.00 0.00 C ATOM 941 C ILE A 61 15.424 -10.492 80.996 1.00 0.00 C ATOM 942 O ILE A 61 16.164 -9.596 81.353 1.00 0.00 O ATOM 943 CB ILE A 61 15.523 -12.462 82.516 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.680 -11.911 83.350 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.089 -13.231 81.320 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.680 -13.039 83.642 1.00 0.00 C ATOM 0 H ILE A 61 13.404 -12.951 81.431 1.00 0.00 H new ATOM 0 HA ILE A 61 14.329 -10.672 82.825 1.00 0.00 H new ATOM 0 HB ILE A 61 14.922 -13.123 83.140 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.175 -11.101 82.815 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.303 -11.493 84.284 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.721 -14.045 81.677 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.269 -13.640 80.730 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.681 -12.557 80.701 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.506 -12.648 84.237 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.180 -13.835 84.194 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.065 -13.436 82.703 1.00 0.00 H new ATOM 958 N ASN A 62 15.278 -10.797 79.743 1.00 0.00 N ATOM 959 CA ASN A 62 16.027 -10.046 78.693 1.00 0.00 C ATOM 960 C ASN A 62 15.086 -9.674 77.547 1.00 0.00 C ATOM 961 O ASN A 62 15.126 -8.579 77.029 1.00 0.00 O ATOM 962 CB ASN A 62 17.155 -10.928 78.154 1.00 0.00 C ATOM 963 CG ASN A 62 16.563 -12.219 77.583 1.00 0.00 C ATOM 964 OD1 ASN A 62 17.014 -12.709 76.567 1.00 0.00 O ATOM 965 ND2 ASN A 62 15.561 -12.791 78.196 1.00 0.00 N ATOM 0 H ASN A 62 14.670 -11.538 79.393 1.00 0.00 H new ATOM 0 HA ASN A 62 16.441 -9.136 79.127 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.709 -10.396 77.381 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.862 -11.160 78.950 1.00 0.00 H new ATOM 0 HD21 ASN A 62 15.157 -13.649 77.822 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.183 -12.379 79.049 1.00 0.00 H new ATOM 972 N ALA A 63 14.235 -10.591 77.172 1.00 0.00 N ATOM 973 CA ALA A 63 13.242 -10.369 76.064 1.00 0.00 C ATOM 974 C ALA A 63 12.931 -8.881 75.814 1.00 0.00 C ATOM 975 O ALA A 63 13.050 -8.433 74.690 1.00 0.00 O ATOM 976 CB ALA A 63 11.955 -11.116 76.402 1.00 0.00 C ATOM 0 H ALA A 63 14.181 -11.516 77.598 1.00 0.00 H new ATOM 0 HA ALA A 63 13.687 -10.749 75.144 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.226 -10.963 75.606 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.167 -12.181 76.500 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.551 -10.738 77.341 1.00 0.00 H new ATOM 982 N PRO A 64 12.549 -8.153 76.843 1.00 0.00 N ATOM 983 CA PRO A 64 12.230 -6.719 76.741 1.00 0.00 C ATOM 984 C PRO A 64 12.799 -6.065 75.475 1.00 0.00 C ATOM 985 O PRO A 64 13.970 -6.178 75.158 1.00 0.00 O ATOM 986 CB PRO A 64 12.830 -6.180 78.040 1.00 0.00 C ATOM 987 CG PRO A 64 12.821 -7.382 79.040 1.00 0.00 C ATOM 988 CD PRO A 64 12.438 -8.635 78.226 1.00 0.00 C ATOM 0 HA PRO A 64 11.166 -6.507 76.639 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.843 -5.811 77.880 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.244 -5.345 78.425 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.799 -7.506 79.504 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.106 -7.210 79.845 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.112 -9.469 78.422 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.430 -8.978 78.458 1.00 0.00 H new ATOM 996 N ASP A 65 11.936 -5.391 74.750 1.00 0.00 N ATOM 997 CA ASP A 65 12.327 -4.712 73.483 1.00 0.00 C ATOM 998 C ASP A 65 11.731 -3.299 73.473 1.00 0.00 C ATOM 999 O ASP A 65 12.396 -2.332 73.157 1.00 0.00 O ATOM 1000 CB ASP A 65 11.747 -5.505 72.309 1.00 0.00 C ATOM 1001 CG ASP A 65 12.604 -6.748 72.049 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.610 -6.620 71.373 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.235 -7.807 72.533 1.00 0.00 O ATOM 0 H ASP A 65 10.952 -5.284 74.995 1.00 0.00 H new ATOM 0 HA ASP A 65 13.413 -4.657 73.402 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.721 -5.799 72.529 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.716 -4.880 71.416 1.00 0.00 H new ATOM 1008 N LYS A 66 10.474 -3.182 73.819 1.00 0.00 N ATOM 1009 CA LYS A 66 9.810 -1.851 73.841 1.00 0.00 C ATOM 1010 C LYS A 66 10.090 -1.193 75.196 1.00 0.00 C ATOM 1011 O LYS A 66 10.011 0.009 75.357 1.00 0.00 O ATOM 1012 CB LYS A 66 8.302 -2.059 73.663 1.00 0.00 C ATOM 1013 CG LYS A 66 7.664 -0.793 73.100 1.00 0.00 C ATOM 1014 CD LYS A 66 7.564 0.291 74.186 1.00 0.00 C ATOM 1015 CE LYS A 66 6.251 1.056 74.026 1.00 0.00 C ATOM 1016 NZ LYS A 66 6.168 2.115 75.068 1.00 0.00 N ATOM 0 H LYS A 66 9.876 -3.963 74.090 1.00 0.00 H new ATOM 0 HA LYS A 66 10.187 -1.213 73.041 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.119 -2.898 72.992 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.846 -2.311 74.620 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.255 -0.423 72.262 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.671 -1.021 72.713 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.613 -0.165 75.175 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.408 0.977 74.109 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.195 1.502 73.033 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.406 0.374 74.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.275 2.638 74.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.203 1.678 76.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.968 2.771 74.961 1.00 0.00 H new ATOM 1030 N HIS A 67 10.429 -1.995 76.167 1.00 0.00 N ATOM 1031 CA HIS A 67 10.736 -1.477 77.523 1.00 0.00 C ATOM 1032 C HIS A 67 12.180 -0.986 77.558 1.00 0.00 C ATOM 1033 O HIS A 67 12.657 -0.509 78.568 1.00 0.00 O ATOM 1034 CB HIS A 67 10.557 -2.620 78.523 1.00 0.00 C ATOM 1035 CG HIS A 67 9.377 -3.462 78.118 1.00 0.00 C ATOM 1036 ND1 HIS A 67 8.182 -3.447 78.820 1.00 0.00 N ATOM 1037 CD2 HIS A 67 9.195 -4.349 77.086 1.00 0.00 C ATOM 1038 CE1 HIS A 67 7.341 -4.301 78.207 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.909 -4.878 77.144 1.00 0.00 N ATOM 0 H HIS A 67 10.507 -3.008 76.072 1.00 0.00 H new ATOM 0 HA HIS A 67 10.072 -0.651 77.776 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.459 -3.231 78.558 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.405 -2.220 79.525 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.937 -4.598 76.342 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.330 -4.496 78.534 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.490 -5.560 76.511 1.00 0.00 H new ATOM 1047 N HIS A 68 12.872 -1.103 76.458 1.00 0.00 N ATOM 1048 CA HIS A 68 14.293 -0.658 76.403 1.00 0.00 C ATOM 1049 C HIS A 68 15.001 -0.993 77.715 1.00 0.00 C ATOM 1050 O HIS A 68 15.979 -0.368 78.076 1.00 0.00 O ATOM 1051 CB HIS A 68 14.353 0.855 76.178 1.00 0.00 C ATOM 1052 CG HIS A 68 15.724 1.233 75.686 1.00 0.00 C ATOM 1053 ND1 HIS A 68 16.854 0.488 75.995 1.00 0.00 N ATOM 1054 CD2 HIS A 68 16.163 2.271 74.905 1.00 0.00 C ATOM 1055 CE1 HIS A 68 17.906 1.085 75.406 1.00 0.00 C ATOM 1056 NE2 HIS A 68 17.540 2.177 74.729 1.00 0.00 N ATOM 0 H HIS A 68 12.510 -1.492 75.587 1.00 0.00 H new ATOM 0 HA HIS A 68 14.788 -1.175 75.581 1.00 0.00 H new ATOM 0 HB2 HIS A 68 13.598 1.156 75.452 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.130 1.381 77.106 1.00 0.00 H new ATOM 0 HD1 HIS A 68 16.882 -0.358 76.565 1.00 0.00 H new ATOM 0 HD2 HIS A 68 15.535 3.045 74.489 1.00 0.00 H new ATOM 0 HE1 HIS A 68 18.922 0.725 75.472 1.00 0.00 H new ATOM 1064 N ILE A 69 14.526 -1.962 78.443 1.00 0.00 N ATOM 1065 CA ILE A 69 15.206 -2.287 79.719 1.00 0.00 C ATOM 1066 C ILE A 69 14.850 -3.690 80.191 1.00 0.00 C ATOM 1067 O ILE A 69 13.784 -4.213 79.919 1.00 0.00 O ATOM 1068 CB ILE A 69 14.791 -1.268 80.784 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.038 -0.693 81.454 1.00 0.00 C ATOM 1070 CG2 ILE A 69 13.893 -1.938 81.839 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.841 -1.804 82.131 1.00 0.00 C ATOM 0 H ILE A 69 13.712 -2.532 78.214 1.00 0.00 H new ATOM 0 HA ILE A 69 16.283 -2.246 79.557 1.00 0.00 H new ATOM 0 HB ILE A 69 14.231 -0.463 80.308 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.657 -0.189 80.712 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.750 0.056 82.191 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.605 -1.203 82.591 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.999 -2.334 81.357 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.438 -2.752 82.317 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.726 -1.377 82.603 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.224 -2.289 82.887 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.146 -2.538 81.386 1.00 0.00 H new ATOM 1083 N THR A 70 15.748 -4.276 80.936 1.00 0.00 N ATOM 1084 CA THR A 70 15.511 -5.626 81.500 1.00 0.00 C ATOM 1085 C THR A 70 15.117 -5.448 82.984 1.00 0.00 C ATOM 1086 O THR A 70 15.377 -4.410 83.558 1.00 0.00 O ATOM 1087 CB THR A 70 16.784 -6.460 81.318 1.00 0.00 C ATOM 1088 OG1 THR A 70 16.869 -7.453 82.332 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.011 -5.539 81.373 1.00 0.00 C ATOM 0 H THR A 70 16.649 -3.865 81.179 1.00 0.00 H new ATOM 0 HA THR A 70 14.703 -6.155 80.994 1.00 0.00 H new ATOM 0 HB THR A 70 16.752 -6.958 80.349 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.923 -8.340 81.918 1.00 0.00 H new ATOM 0 HG21 THR A 70 18.917 -6.131 81.244 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.945 -4.798 80.577 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.043 -5.033 82.338 1.00 0.00 H new ATOM 1097 N PRO A 71 14.434 -6.413 83.550 1.00 0.00 N ATOM 1098 CA PRO A 71 13.929 -6.307 84.940 1.00 0.00 C ATOM 1099 C PRO A 71 15.027 -6.228 86.029 1.00 0.00 C ATOM 1100 O PRO A 71 14.742 -5.801 87.130 1.00 0.00 O ATOM 1101 CB PRO A 71 13.062 -7.567 85.116 1.00 0.00 C ATOM 1102 CG PRO A 71 12.928 -8.213 83.720 1.00 0.00 C ATOM 1103 CD PRO A 71 14.088 -7.677 82.884 1.00 0.00 C ATOM 0 HA PRO A 71 13.386 -5.371 85.074 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.524 -8.259 85.820 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.082 -7.309 85.519 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.969 -9.300 83.789 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.971 -7.959 83.265 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.930 -8.369 82.874 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.795 -7.517 81.846 1.00 0.00 H new ATOM 1111 N LEU A 72 16.255 -6.636 85.790 1.00 0.00 N ATOM 1112 CA LEU A 72 17.247 -6.554 86.908 1.00 0.00 C ATOM 1113 C LEU A 72 17.318 -5.120 87.407 1.00 0.00 C ATOM 1114 O LEU A 72 17.418 -4.881 88.593 1.00 0.00 O ATOM 1115 CB LEU A 72 18.675 -7.016 86.513 1.00 0.00 C ATOM 1116 CG LEU A 72 18.699 -7.903 85.260 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.479 -8.841 85.201 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.754 -7.015 84.014 1.00 0.00 C ATOM 0 H LEU A 72 16.601 -7.008 84.905 1.00 0.00 H new ATOM 0 HA LEU A 72 16.897 -7.235 87.684 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.299 -6.139 86.341 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.116 -7.563 87.346 1.00 0.00 H new ATOM 0 HG LEU A 72 19.587 -8.534 85.301 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.533 -9.452 84.300 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.475 -9.488 86.078 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.565 -8.248 85.183 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.771 -7.641 83.122 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.876 -6.370 83.988 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.654 -6.401 84.044 1.00 0.00 H new ATOM 1130 N LEU A 73 17.272 -4.156 86.528 1.00 0.00 N ATOM 1131 CA LEU A 73 17.348 -2.747 86.998 1.00 0.00 C ATOM 1132 C LEU A 73 16.041 -2.389 87.700 1.00 0.00 C ATOM 1133 O LEU A 73 15.978 -1.477 88.505 1.00 0.00 O ATOM 1134 CB LEU A 73 17.611 -1.803 85.821 1.00 0.00 C ATOM 1135 CG LEU A 73 18.931 -2.208 85.138 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.678 -3.316 84.107 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.551 -0.995 84.436 1.00 0.00 C ATOM 0 H LEU A 73 17.186 -4.281 85.519 1.00 0.00 H new ATOM 0 HA LEU A 73 18.175 -2.639 87.700 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.788 -1.852 85.108 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.669 -0.772 86.171 1.00 0.00 H new ATOM 0 HG LEU A 73 19.617 -2.577 85.901 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.619 -3.593 83.632 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.254 -4.187 84.606 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.981 -2.956 83.350 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.484 -1.290 83.956 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.859 -0.617 83.683 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.752 -0.214 85.169 1.00 0.00 H new ATOM 1149 N SER A 74 14.996 -3.110 87.418 1.00 0.00 N ATOM 1150 CA SER A 74 13.707 -2.823 88.093 1.00 0.00 C ATOM 1151 C SER A 74 13.913 -2.925 89.608 1.00 0.00 C ATOM 1152 O SER A 74 13.527 -2.055 90.369 1.00 0.00 O ATOM 1153 CB SER A 74 12.659 -3.842 87.646 1.00 0.00 C ATOM 1154 OG SER A 74 12.779 -5.016 88.439 1.00 0.00 O ATOM 0 H SER A 74 14.979 -3.882 86.752 1.00 0.00 H new ATOM 0 HA SER A 74 13.364 -1.822 87.833 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.659 -3.421 87.748 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.797 -4.085 86.592 1.00 0.00 H new ATOM 0 HG SER A 74 13.481 -5.591 88.069 1.00 0.00 H new ATOM 1160 N ALA A 75 14.525 -3.989 90.043 1.00 0.00 N ATOM 1161 CA ALA A 75 14.768 -4.175 91.503 1.00 0.00 C ATOM 1162 C ALA A 75 15.852 -3.205 91.979 1.00 0.00 C ATOM 1163 O ALA A 75 15.827 -2.735 93.099 1.00 0.00 O ATOM 1164 CB ALA A 75 15.217 -5.615 91.758 1.00 0.00 C ATOM 0 H ALA A 75 14.870 -4.743 89.449 1.00 0.00 H new ATOM 0 HA ALA A 75 13.848 -3.974 92.052 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.396 -5.757 92.824 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.439 -6.303 91.426 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.136 -5.813 91.206 1.00 0.00 H new ATOM 1170 N VAL A 76 16.806 -2.913 91.142 1.00 0.00 N ATOM 1171 CA VAL A 76 17.898 -1.986 91.540 1.00 0.00 C ATOM 1172 C VAL A 76 17.309 -0.773 92.285 1.00 0.00 C ATOM 1173 O VAL A 76 17.486 -0.633 93.479 1.00 0.00 O ATOM 1174 CB VAL A 76 18.659 -1.561 90.273 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.549 -0.349 90.555 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.534 -2.737 89.807 1.00 0.00 C ATOM 0 H VAL A 76 16.876 -3.280 90.193 1.00 0.00 H new ATOM 0 HA VAL A 76 18.593 -2.478 92.220 1.00 0.00 H new ATOM 0 HB VAL A 76 17.940 -1.288 89.500 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.078 -0.066 89.645 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.933 0.485 90.891 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.272 -0.601 91.331 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.080 -2.450 88.908 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.242 -2.998 90.594 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.901 -3.597 89.588 1.00 0.00 H new ATOM 1186 N TYR A 77 16.606 0.095 91.605 1.00 0.00 N ATOM 1187 CA TYR A 77 16.013 1.278 92.305 1.00 0.00 C ATOM 1188 C TYR A 77 14.774 0.823 93.088 1.00 0.00 C ATOM 1189 O TYR A 77 13.708 1.392 92.965 1.00 0.00 O ATOM 1190 CB TYR A 77 15.608 2.352 91.279 1.00 0.00 C ATOM 1191 CG TYR A 77 16.318 2.116 89.968 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.765 1.248 89.021 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.518 2.780 89.691 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.409 1.042 87.795 1.00 0.00 C ATOM 1195 CE2 TYR A 77 18.165 2.572 88.466 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.611 1.704 87.518 1.00 0.00 C ATOM 1197 OH TYR A 77 18.248 1.506 86.308 1.00 0.00 O ATOM 0 H TYR A 77 16.417 0.039 90.604 1.00 0.00 H new ATOM 0 HA TYR A 77 16.750 1.703 92.987 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.529 2.330 91.126 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.855 3.342 91.662 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.839 0.735 89.236 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.945 3.452 90.421 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.979 0.373 87.064 1.00 0.00 H new ATOM 0 HE2 TYR A 77 19.093 3.082 88.253 1.00 0.00 H new ATOM 0 HH TYR A 77 18.467 2.373 85.908 1.00 0.00 H new ATOM 1207 N GLU A 78 14.901 -0.206 93.886 1.00 0.00 N ATOM 1208 CA GLU A 78 13.725 -0.698 94.661 1.00 0.00 C ATOM 1209 C GLU A 78 14.111 -0.905 96.125 1.00 0.00 C ATOM 1210 O GLU A 78 13.274 -0.863 97.004 1.00 0.00 O ATOM 1211 CB GLU A 78 13.257 -2.037 94.078 1.00 0.00 C ATOM 1212 CG GLU A 78 11.792 -2.271 94.450 1.00 0.00 C ATOM 1213 CD GLU A 78 10.915 -1.355 93.597 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.138 -1.305 92.399 1.00 0.00 O ATOM 1215 OE2 GLU A 78 10.042 -0.715 94.158 1.00 0.00 O ATOM 0 H GLU A 78 15.767 -0.725 94.034 1.00 0.00 H new ATOM 0 HA GLU A 78 12.925 0.040 94.598 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.372 -2.034 92.994 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.875 -2.849 94.462 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.522 -3.314 94.284 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.634 -2.066 95.509 1.00 0.00 H new ATOM 1222 N GLY A 79 15.362 -1.153 96.395 1.00 0.00 N ATOM 1223 CA GLY A 79 15.774 -1.395 97.803 1.00 0.00 C ATOM 1224 C GLY A 79 15.638 -2.887 98.074 1.00 0.00 C ATOM 1225 O GLY A 79 16.018 -3.390 99.113 1.00 0.00 O ATOM 0 H GLY A 79 16.112 -1.198 95.705 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.802 -1.069 97.962 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.149 -0.823 98.488 1.00 0.00 H new ATOM 1229 N HIS A 80 15.114 -3.603 97.116 1.00 0.00 N ATOM 1230 CA HIS A 80 14.959 -5.070 97.271 1.00 0.00 C ATOM 1231 C HIS A 80 16.304 -5.714 96.962 1.00 0.00 C ATOM 1232 O HIS A 80 16.896 -6.371 97.793 1.00 0.00 O ATOM 1233 CB HIS A 80 13.899 -5.570 96.280 1.00 0.00 C ATOM 1234 CG HIS A 80 12.541 -5.550 96.928 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.792 -6.699 97.134 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.777 -4.516 97.404 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.630 -6.331 97.703 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.569 -5.007 97.892 1.00 0.00 N ATOM 0 H HIS A 80 14.785 -3.227 96.227 1.00 0.00 H new ATOM 0 HA HIS A 80 14.644 -5.325 98.283 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.896 -4.941 95.390 1.00 0.00 H new ATOM 0 HB3 HIS A 80 14.141 -6.582 95.955 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.069 -3.476 97.401 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.843 -7.019 97.974 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.803 -4.474 98.304 1.00 0.00 H new ATOM 1246 N VAL A 81 16.785 -5.508 95.764 1.00 0.00 N ATOM 1247 CA VAL A 81 18.096 -6.084 95.347 1.00 0.00 C ATOM 1248 C VAL A 81 18.301 -7.479 95.948 1.00 0.00 C ATOM 1249 O VAL A 81 19.376 -8.045 95.889 1.00 0.00 O ATOM 1250 CB VAL A 81 19.230 -5.119 95.712 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.391 -4.099 94.576 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.889 -4.369 97.007 1.00 0.00 C ATOM 0 H VAL A 81 16.316 -4.956 95.046 1.00 0.00 H new ATOM 0 HA VAL A 81 18.103 -6.210 94.264 1.00 0.00 H new ATOM 0 HB VAL A 81 20.152 -5.682 95.857 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.195 -3.405 94.821 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.632 -4.621 93.650 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.460 -3.546 94.449 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.701 -3.686 97.257 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.969 -3.802 96.868 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.755 -5.085 97.818 1.00 0.00 H new ATOM 1262 N SER A 82 17.257 -8.067 96.454 1.00 0.00 N ATOM 1263 CA SER A 82 17.364 -9.451 96.971 1.00 0.00 C ATOM 1264 C SER A 82 17.212 -10.364 95.758 1.00 0.00 C ATOM 1265 O SER A 82 17.670 -11.490 95.729 1.00 0.00 O ATOM 1266 CB SER A 82 16.251 -9.712 97.990 1.00 0.00 C ATOM 1267 OG SER A 82 15.881 -11.086 97.950 1.00 0.00 O ATOM 0 H SER A 82 16.332 -7.645 96.531 1.00 0.00 H new ATOM 0 HA SER A 82 18.314 -9.626 97.477 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.590 -9.445 98.991 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.387 -9.085 97.769 1.00 0.00 H new ATOM 0 HG SER A 82 15.571 -11.367 98.836 1.00 0.00 H new ATOM 1273 N CYS A 83 16.567 -9.841 94.747 1.00 0.00 N ATOM 1274 CA CYS A 83 16.347 -10.597 93.486 1.00 0.00 C ATOM 1275 C CYS A 83 17.613 -10.507 92.633 1.00 0.00 C ATOM 1276 O CYS A 83 18.119 -11.498 92.147 1.00 0.00 O ATOM 1277 CB CYS A 83 15.168 -9.969 92.732 1.00 0.00 C ATOM 1278 SG CYS A 83 14.877 -8.292 93.354 1.00 0.00 S ATOM 0 H CYS A 83 16.176 -8.899 94.747 1.00 0.00 H new ATOM 0 HA CYS A 83 16.125 -11.642 93.701 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.380 -9.940 91.663 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.273 -10.577 92.863 1.00 0.00 H new ATOM 0 HG CYS A 83 16.014 -7.676 93.489 1.00 0.00 H new ATOM 1284 N VAL A 84 18.135 -9.321 92.456 1.00 0.00 N ATOM 1285 CA VAL A 84 19.378 -9.161 91.646 1.00 0.00 C ATOM 1286 C VAL A 84 20.355 -10.274 92.011 1.00 0.00 C ATOM 1287 O VAL A 84 20.964 -10.893 91.160 1.00 0.00 O ATOM 1288 CB VAL A 84 20.045 -7.821 91.968 1.00 0.00 C ATOM 1289 CG1 VAL A 84 19.153 -6.668 91.520 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.281 -7.727 93.473 1.00 0.00 C ATOM 0 H VAL A 84 17.753 -8.456 92.838 1.00 0.00 H new ATOM 0 HA VAL A 84 19.119 -9.202 90.588 1.00 0.00 H new ATOM 0 HB VAL A 84 20.996 -7.758 91.439 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.638 -5.720 91.754 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.986 -6.734 90.445 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.197 -6.724 92.040 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.756 -6.774 93.708 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.327 -7.796 93.996 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.929 -8.544 93.791 1.00 0.00 H new ATOM 1300 N LYS A 85 20.516 -10.519 93.278 1.00 0.00 N ATOM 1301 CA LYS A 85 21.461 -11.571 93.724 1.00 0.00 C ATOM 1302 C LYS A 85 21.208 -12.893 92.961 1.00 0.00 C ATOM 1303 O LYS A 85 21.934 -13.243 92.041 1.00 0.00 O ATOM 1304 CB LYS A 85 21.282 -11.762 95.241 1.00 0.00 C ATOM 1305 CG LYS A 85 22.611 -11.514 95.967 1.00 0.00 C ATOM 1306 CD LYS A 85 22.877 -10.005 96.059 1.00 0.00 C ATOM 1307 CE LYS A 85 24.282 -9.763 96.620 1.00 0.00 C ATOM 1308 NZ LYS A 85 25.297 -10.348 95.699 1.00 0.00 N ATOM 0 H LYS A 85 20.028 -10.030 94.029 1.00 0.00 H new ATOM 0 HA LYS A 85 22.487 -11.270 93.510 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.522 -11.076 95.614 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.929 -12.772 95.449 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.577 -11.949 96.966 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.425 -12.005 95.433 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.785 -9.549 95.073 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.132 -9.533 96.700 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.458 -8.694 96.739 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.372 -10.213 97.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 26.207 -9.863 95.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 25.411 -11.361 95.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.982 -10.229 94.715 1.00 0.00 H new ATOM 1322 N LEU A 86 20.199 -13.636 93.331 1.00 0.00 N ATOM 1323 CA LEU A 86 19.939 -14.930 92.620 1.00 0.00 C ATOM 1324 C LEU A 86 19.586 -14.686 91.151 1.00 0.00 C ATOM 1325 O LEU A 86 19.311 -15.614 90.411 1.00 0.00 O ATOM 1326 CB LEU A 86 18.833 -15.757 93.308 1.00 0.00 C ATOM 1327 CG LEU A 86 17.501 -15.000 93.432 1.00 0.00 C ATOM 1328 CD1 LEU A 86 17.650 -13.793 94.358 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.995 -14.534 92.060 1.00 0.00 C ATOM 0 H LEU A 86 19.549 -13.411 94.084 1.00 0.00 H new ATOM 0 HA LEU A 86 20.861 -15.510 92.667 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.671 -16.675 92.744 1.00 0.00 H new ATOM 0 HB3 LEU A 86 19.172 -16.049 94.302 1.00 0.00 H new ATOM 0 HG LEU A 86 16.772 -15.691 93.856 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.696 -13.271 94.432 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.957 -14.130 95.348 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.403 -13.116 93.955 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.051 -14.002 92.182 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.731 -13.869 91.607 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.843 -15.399 91.415 1.00 0.00 H new ATOM 1341 N LEU A 87 19.577 -13.457 90.714 1.00 0.00 N ATOM 1342 CA LEU A 87 19.216 -13.185 89.293 1.00 0.00 C ATOM 1343 C LEU A 87 20.372 -13.582 88.375 1.00 0.00 C ATOM 1344 O LEU A 87 20.286 -14.566 87.667 1.00 0.00 O ATOM 1345 CB LEU A 87 18.915 -11.690 89.110 1.00 0.00 C ATOM 1346 CG LEU A 87 17.542 -11.504 88.464 1.00 0.00 C ATOM 1347 CD1 LEU A 87 17.161 -10.023 88.506 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.589 -11.975 87.010 1.00 0.00 C ATOM 0 H LEU A 87 19.802 -12.635 91.274 1.00 0.00 H new ATOM 0 HA LEU A 87 18.333 -13.770 89.036 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.942 -11.185 90.076 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.683 -11.230 88.488 1.00 0.00 H new ATOM 0 HG LEU A 87 16.802 -12.090 89.009 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.182 -9.886 88.046 1.00 0.00 H new ATOM 0 HD12 LEU A 87 17.126 -9.686 89.542 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.903 -9.441 87.960 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.609 -11.841 86.552 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.328 -11.391 86.462 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.864 -13.029 86.978 1.00 0.00 H new ATOM 1360 N LEU A 88 21.441 -12.827 88.354 1.00 0.00 N ATOM 1361 CA LEU A 88 22.553 -13.198 87.442 1.00 0.00 C ATOM 1362 C LEU A 88 22.889 -14.669 87.638 1.00 0.00 C ATOM 1363 O LEU A 88 23.540 -15.284 86.816 1.00 0.00 O ATOM 1364 CB LEU A 88 23.798 -12.311 87.641 1.00 0.00 C ATOM 1365 CG LEU A 88 24.494 -12.560 88.989 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.470 -12.560 90.120 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.240 -13.905 88.959 1.00 0.00 C ATOM 0 H LEU A 88 21.587 -11.989 88.917 1.00 0.00 H new ATOM 0 HA LEU A 88 22.224 -13.031 86.416 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.505 -12.497 86.832 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.507 -11.263 87.575 1.00 0.00 H new ATOM 0 HG LEU A 88 25.212 -11.759 89.163 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.976 -12.737 91.069 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.965 -11.595 90.153 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.737 -13.348 89.947 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.729 -14.071 89.919 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.531 -14.710 88.769 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.990 -13.888 88.168 1.00 0.00 H new ATOM 1379 N SER A 89 22.412 -15.256 88.699 1.00 0.00 N ATOM 1380 CA SER A 89 22.670 -16.703 88.905 1.00 0.00 C ATOM 1381 C SER A 89 22.095 -17.439 87.693 1.00 0.00 C ATOM 1382 O SER A 89 22.461 -18.557 87.391 1.00 0.00 O ATOM 1383 CB SER A 89 21.976 -17.182 90.180 1.00 0.00 C ATOM 1384 OG SER A 89 22.613 -18.364 90.646 1.00 0.00 O ATOM 0 H SER A 89 21.860 -14.800 89.425 1.00 0.00 H new ATOM 0 HA SER A 89 23.738 -16.895 89.008 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.019 -16.406 90.945 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.922 -17.377 89.983 1.00 0.00 H new ATOM 0 HG SER A 89 22.171 -18.673 91.464 1.00 0.00 H new ATOM 1390 N LYS A 90 21.195 -16.792 86.993 1.00 0.00 N ATOM 1391 CA LYS A 90 20.574 -17.406 85.789 1.00 0.00 C ATOM 1392 C LYS A 90 21.209 -16.802 84.539 1.00 0.00 C ATOM 1393 O LYS A 90 21.061 -17.309 83.445 1.00 0.00 O ATOM 1394 CB LYS A 90 19.077 -17.094 85.787 1.00 0.00 C ATOM 1395 CG LYS A 90 18.366 -17.913 86.879 1.00 0.00 C ATOM 1396 CD LYS A 90 17.963 -17.006 88.050 1.00 0.00 C ATOM 1397 CE LYS A 90 16.657 -16.277 87.717 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.417 -15.200 88.720 1.00 0.00 N ATOM 0 H LYS A 90 20.863 -15.853 87.212 1.00 0.00 H new ATOM 0 HA LYS A 90 20.729 -18.485 85.800 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.919 -16.029 85.959 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.650 -17.326 84.811 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.481 -18.395 86.463 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.024 -18.706 87.234 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.838 -17.600 88.955 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.753 -16.282 88.250 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.712 -15.850 86.716 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.825 -16.981 87.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.442 -15.267 89.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.082 -15.309 89.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.560 -14.272 88.273 1.00 0.00 H new ATOM 1412 N GLY A 91 21.918 -15.717 84.701 1.00 0.00 N ATOM 1413 CA GLY A 91 22.580 -15.059 83.538 1.00 0.00 C ATOM 1414 C GLY A 91 22.306 -13.552 83.574 1.00 0.00 C ATOM 1415 O GLY A 91 22.955 -12.811 84.284 1.00 0.00 O ATOM 0 H GLY A 91 22.068 -15.255 85.598 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.654 -15.244 83.566 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.207 -15.484 82.606 1.00 0.00 H new ATOM 1419 N ALA A 92 21.343 -13.099 82.820 1.00 0.00 N ATOM 1420 CA ALA A 92 21.004 -11.644 82.810 1.00 0.00 C ATOM 1421 C ALA A 92 22.264 -10.782 82.761 1.00 0.00 C ATOM 1422 O ALA A 92 22.189 -9.584 82.944 1.00 0.00 O ATOM 1423 CB ALA A 92 20.236 -11.306 84.093 1.00 0.00 C ATOM 0 H ALA A 92 20.771 -13.677 82.205 1.00 0.00 H new ATOM 0 HA ALA A 92 20.403 -11.438 81.924 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.983 -10.246 84.097 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.321 -11.897 84.136 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.857 -11.534 84.959 1.00 0.00 H new ATOM 1429 N ASP A 93 23.414 -11.357 82.531 1.00 0.00 N ATOM 1430 CA ASP A 93 24.653 -10.523 82.506 1.00 0.00 C ATOM 1431 C ASP A 93 24.460 -9.331 83.443 1.00 0.00 C ATOM 1432 O ASP A 93 24.442 -9.476 84.651 1.00 0.00 O ATOM 1433 CB ASP A 93 24.915 -10.045 81.077 1.00 0.00 C ATOM 1434 CG ASP A 93 26.258 -9.316 81.018 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.388 -8.303 81.682 1.00 0.00 O ATOM 1436 OD2 ASP A 93 27.133 -9.786 80.308 1.00 0.00 O ATOM 0 H ASP A 93 23.550 -12.354 82.361 1.00 0.00 H new ATOM 0 HA ASP A 93 25.511 -11.107 82.839 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.921 -10.894 80.394 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.114 -9.380 80.753 1.00 0.00 H new ATOM 1441 N LYS A 94 24.288 -8.162 82.908 1.00 0.00 N ATOM 1442 CA LYS A 94 24.062 -6.983 83.778 1.00 0.00 C ATOM 1443 C LYS A 94 23.540 -5.836 82.916 1.00 0.00 C ATOM 1444 O LYS A 94 22.710 -5.053 83.333 1.00 0.00 O ATOM 1445 CB LYS A 94 25.372 -6.592 84.464 1.00 0.00 C ATOM 1446 CG LYS A 94 25.161 -5.311 85.268 1.00 0.00 C ATOM 1447 CD LYS A 94 24.171 -5.562 86.425 1.00 0.00 C ATOM 1448 CE LYS A 94 22.783 -4.998 86.070 1.00 0.00 C ATOM 1449 NZ LYS A 94 22.110 -4.512 87.300 1.00 0.00 N ATOM 0 H LYS A 94 24.294 -7.971 81.906 1.00 0.00 H new ATOM 0 HA LYS A 94 23.329 -7.216 84.550 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.705 -7.396 85.121 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.154 -6.443 83.720 1.00 0.00 H new ATOM 0 HG2 LYS A 94 26.114 -4.962 85.665 1.00 0.00 H new ATOM 0 HG3 LYS A 94 24.779 -4.524 84.618 1.00 0.00 H new ATOM 0 HD2 LYS A 94 24.097 -6.631 86.624 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.540 -5.093 87.337 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.884 -4.183 85.353 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.178 -5.769 85.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 21.189 -4.985 87.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.703 -4.726 88.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.966 -3.484 87.234 1.00 0.00 H new ATOM 1463 N THR A 95 24.012 -5.744 81.705 1.00 0.00 N ATOM 1464 CA THR A 95 23.543 -4.665 80.794 1.00 0.00 C ATOM 1465 C THR A 95 22.954 -5.318 79.552 1.00 0.00 C ATOM 1466 O THR A 95 23.332 -5.016 78.438 1.00 0.00 O ATOM 1467 CB THR A 95 24.720 -3.768 80.395 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.861 -4.571 80.129 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.033 -2.794 81.533 1.00 0.00 C ATOM 0 H THR A 95 24.707 -6.374 81.305 1.00 0.00 H new ATOM 0 HA THR A 95 22.793 -4.052 81.294 1.00 0.00 H new ATOM 0 HB THR A 95 24.457 -3.204 79.500 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.613 -3.997 79.872 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.870 -2.157 81.247 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.158 -2.175 81.733 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.294 -3.355 82.431 1.00 0.00 H new ATOM 1477 N VAL A 96 22.040 -6.230 79.743 1.00 0.00 N ATOM 1478 CA VAL A 96 21.433 -6.931 78.586 1.00 0.00 C ATOM 1479 C VAL A 96 20.446 -6.010 77.859 1.00 0.00 C ATOM 1480 O VAL A 96 20.007 -6.314 76.767 1.00 0.00 O ATOM 1481 CB VAL A 96 20.683 -8.165 79.096 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.061 -8.919 77.920 1.00 0.00 C ATOM 1483 CG2 VAL A 96 21.656 -9.083 79.835 1.00 0.00 C ATOM 0 H VAL A 96 21.689 -6.518 80.656 1.00 0.00 H new ATOM 0 HA VAL A 96 22.220 -7.222 77.891 1.00 0.00 H new ATOM 0 HB VAL A 96 19.892 -7.848 79.776 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.529 -9.796 78.290 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.363 -8.265 77.397 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.847 -9.234 77.234 1.00 0.00 H new ATOM 0 HG21 VAL A 96 21.123 -9.962 80.198 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.449 -9.395 79.156 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.091 -8.548 80.679 1.00 0.00 H new ATOM 1493 N LYS A 97 20.089 -4.887 78.434 1.00 0.00 N ATOM 1494 CA LYS A 97 19.130 -3.988 77.721 1.00 0.00 C ATOM 1495 C LYS A 97 19.104 -2.571 78.326 1.00 0.00 C ATOM 1496 O LYS A 97 18.342 -1.731 77.891 1.00 0.00 O ATOM 1497 CB LYS A 97 17.725 -4.606 77.777 1.00 0.00 C ATOM 1498 CG LYS A 97 17.178 -4.789 76.357 1.00 0.00 C ATOM 1499 CD LYS A 97 16.906 -3.416 75.731 1.00 0.00 C ATOM 1500 CE LYS A 97 15.985 -3.575 74.522 1.00 0.00 C ATOM 1501 NZ LYS A 97 16.473 -4.691 73.661 1.00 0.00 N ATOM 0 H LYS A 97 20.411 -4.560 79.345 1.00 0.00 H new ATOM 0 HA LYS A 97 19.461 -3.892 76.687 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.762 -5.568 78.289 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.059 -3.964 78.353 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.894 -5.342 75.749 1.00 0.00 H new ATOM 0 HG3 LYS A 97 16.260 -5.377 76.383 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.447 -2.755 76.466 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.844 -2.952 75.427 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.966 -3.777 74.853 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.956 -2.648 73.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.078 -4.589 72.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.511 -4.663 73.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.170 -5.600 74.066 1.00 0.00 H new ATOM 1515 N GLY A 98 19.924 -2.275 79.301 1.00 0.00 N ATOM 1516 CA GLY A 98 19.907 -0.898 79.871 1.00 0.00 C ATOM 1517 C GLY A 98 20.613 0.032 78.886 1.00 0.00 C ATOM 1518 O GLY A 98 21.157 -0.424 77.901 1.00 0.00 O ATOM 0 H GLY A 98 20.595 -2.918 79.721 1.00 0.00 H new ATOM 0 HA2 GLY A 98 18.882 -0.568 80.038 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.409 -0.880 80.838 1.00 0.00 H new ATOM 1522 N PRO A 99 20.607 1.308 79.176 1.00 0.00 N ATOM 1523 CA PRO A 99 21.272 2.291 78.310 1.00 0.00 C ATOM 1524 C PRO A 99 22.714 1.866 78.101 1.00 0.00 C ATOM 1525 O PRO A 99 23.080 1.337 77.069 1.00 0.00 O ATOM 1526 CB PRO A 99 21.187 3.620 79.080 1.00 0.00 C ATOM 1527 CG PRO A 99 20.433 3.339 80.408 1.00 0.00 C ATOM 1528 CD PRO A 99 19.959 1.872 80.375 1.00 0.00 C ATOM 0 HA PRO A 99 20.814 2.379 77.325 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.184 4.012 79.280 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.661 4.372 78.492 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.087 3.511 81.263 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.583 4.013 80.516 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.256 1.337 81.277 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.873 1.806 80.309 1.00 0.00 H new ATOM 1536 N ASP A 100 23.531 2.087 79.079 1.00 0.00 N ATOM 1537 CA ASP A 100 24.953 1.695 78.961 1.00 0.00 C ATOM 1538 C ASP A 100 25.460 1.240 80.329 1.00 0.00 C ATOM 1539 O ASP A 100 24.848 0.422 80.996 1.00 0.00 O ATOM 1540 CB ASP A 100 25.772 2.897 78.475 1.00 0.00 C ATOM 1541 CG ASP A 100 27.162 2.425 78.048 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.399 1.231 78.097 1.00 0.00 O ATOM 1543 OD2 ASP A 100 27.966 3.267 77.679 1.00 0.00 O ATOM 0 H ASP A 100 23.274 2.526 79.963 1.00 0.00 H new ATOM 0 HA ASP A 100 25.056 0.879 78.246 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.267 3.381 77.639 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.856 3.639 79.269 1.00 0.00 H new ATOM 1548 N GLY A 101 26.569 1.763 80.749 1.00 0.00 N ATOM 1549 CA GLY A 101 27.128 1.367 82.069 1.00 0.00 C ATOM 1550 C GLY A 101 26.143 1.724 83.186 1.00 0.00 C ATOM 1551 O GLY A 101 26.416 1.514 84.358 1.00 0.00 O ATOM 0 H GLY A 101 27.118 2.452 80.235 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.330 0.296 82.080 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.079 1.873 82.237 1.00 0.00 H new ATOM 1555 N LEU A 102 24.987 2.234 82.845 1.00 0.00 N ATOM 1556 CA LEU A 102 24.013 2.575 83.908 1.00 0.00 C ATOM 1557 C LEU A 102 23.862 1.380 84.800 1.00 0.00 C ATOM 1558 O LEU A 102 24.264 1.412 85.940 1.00 0.00 O ATOM 1559 CB LEU A 102 22.654 2.948 83.309 1.00 0.00 C ATOM 1560 CG LEU A 102 21.691 3.486 84.392 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.333 3.775 83.760 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.490 2.461 85.511 1.00 0.00 C ATOM 0 H LEU A 102 24.684 2.424 81.890 1.00 0.00 H new ATOM 0 HA LEU A 102 24.376 3.435 84.471 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.791 3.702 82.534 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.213 2.074 82.829 1.00 0.00 H new ATOM 0 HG LEU A 102 22.127 4.392 84.812 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.651 4.155 84.521 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.449 4.520 82.973 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.927 2.857 83.334 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.808 2.867 86.258 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.069 1.546 85.095 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.450 2.239 85.978 1.00 0.00 H new ATOM 1574 N THR A 103 23.263 0.331 84.306 1.00 0.00 N ATOM 1575 CA THR A 103 23.057 -0.849 85.171 1.00 0.00 C ATOM 1576 C THR A 103 23.111 -0.389 86.635 1.00 0.00 C ATOM 1577 O THR A 103 22.244 0.326 87.116 1.00 0.00 O ATOM 1578 CB THR A 103 24.153 -1.882 84.905 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.364 -2.653 86.077 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.451 -1.174 84.524 1.00 0.00 C ATOM 0 H THR A 103 22.913 0.246 83.352 1.00 0.00 H new ATOM 0 HA THR A 103 22.091 -1.307 84.961 1.00 0.00 H new ATOM 0 HB THR A 103 23.845 -2.532 84.086 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.318 -2.856 86.168 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.228 -1.915 84.336 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.291 -0.580 83.624 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.762 -0.521 85.339 1.00 0.00 H new ATOM 1588 N ALA A 104 24.130 -0.772 87.342 1.00 0.00 N ATOM 1589 CA ALA A 104 24.242 -0.342 88.769 1.00 0.00 C ATOM 1590 C ALA A 104 25.082 0.940 88.892 1.00 0.00 C ATOM 1591 O ALA A 104 24.924 1.707 89.831 1.00 0.00 O ATOM 1592 CB ALA A 104 24.893 -1.459 89.593 1.00 0.00 C ATOM 0 H ALA A 104 24.890 -1.361 87.002 1.00 0.00 H new ATOM 0 HA ALA A 104 23.240 -0.138 89.146 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.974 -1.144 90.633 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.281 -2.359 89.533 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.887 -1.669 89.199 1.00 0.00 H new ATOM 1598 N LEU A 105 26.000 1.171 87.979 1.00 0.00 N ATOM 1599 CA LEU A 105 26.880 2.374 88.074 1.00 0.00 C ATOM 1600 C LEU A 105 26.077 3.677 88.195 1.00 0.00 C ATOM 1601 O LEU A 105 26.064 4.312 89.229 1.00 0.00 O ATOM 1602 CB LEU A 105 27.740 2.475 86.812 1.00 0.00 C ATOM 1603 CG LEU A 105 28.353 1.121 86.453 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.355 1.320 85.317 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.071 0.530 87.666 1.00 0.00 C ATOM 0 H LEU A 105 26.175 0.573 87.171 1.00 0.00 H new ATOM 0 HA LEU A 105 27.489 2.253 88.970 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.132 2.834 85.982 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.533 3.207 86.966 1.00 0.00 H new ATOM 0 HG LEU A 105 27.564 0.436 86.143 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.799 0.361 85.052 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.843 1.735 84.449 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.138 2.006 85.639 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.504 -0.434 87.399 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.863 1.207 87.985 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.359 0.395 88.480 1.00 0.00 H new ATOM 1617 N GLU A 106 25.462 4.113 87.129 1.00 0.00 N ATOM 1618 CA GLU A 106 24.730 5.403 87.165 1.00 0.00 C ATOM 1619 C GLU A 106 23.353 5.224 87.809 1.00 0.00 C ATOM 1620 O GLU A 106 22.546 6.128 87.810 1.00 0.00 O ATOM 1621 CB GLU A 106 24.566 5.912 85.728 1.00 0.00 C ATOM 1622 CG GLU A 106 25.883 5.751 84.966 1.00 0.00 C ATOM 1623 CD GLU A 106 26.932 6.702 85.547 1.00 0.00 C ATOM 1624 OE1 GLU A 106 26.979 7.839 85.107 1.00 0.00 O ATOM 1625 OE2 GLU A 106 27.671 6.277 86.419 1.00 0.00 O ATOM 0 H GLU A 106 25.437 3.626 86.233 1.00 0.00 H new ATOM 0 HA GLU A 106 25.294 6.122 87.759 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.774 5.357 85.224 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.266 6.960 85.736 1.00 0.00 H new ATOM 0 HG2 GLU A 106 26.232 4.721 85.037 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.731 5.964 83.908 1.00 0.00 H new ATOM 1632 N ALA A 107 23.071 4.071 88.354 1.00 0.00 N ATOM 1633 CA ALA A 107 21.734 3.868 88.983 1.00 0.00 C ATOM 1634 C ALA A 107 21.646 4.510 90.375 1.00 0.00 C ATOM 1635 O ALA A 107 20.699 5.211 90.666 1.00 0.00 O ATOM 1636 CB ALA A 107 21.446 2.377 89.125 1.00 0.00 C ATOM 0 H ALA A 107 23.700 3.269 88.391 1.00 0.00 H new ATOM 0 HA ALA A 107 21.001 4.345 88.332 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.468 2.238 89.585 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.454 1.910 88.140 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.210 1.917 89.751 1.00 0.00 H new ATOM 1642 N THR A 108 22.571 4.250 91.266 1.00 0.00 N ATOM 1643 CA THR A 108 22.424 4.833 92.632 1.00 0.00 C ATOM 1644 C THR A 108 23.767 5.020 93.336 1.00 0.00 C ATOM 1645 O THR A 108 24.792 5.248 92.727 1.00 0.00 O ATOM 1646 CB THR A 108 21.603 3.855 93.459 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.377 4.397 94.753 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.381 2.539 93.575 1.00 0.00 C ATOM 0 H THR A 108 23.399 3.675 91.112 1.00 0.00 H new ATOM 0 HA THR A 108 21.954 5.812 92.536 1.00 0.00 H new ATOM 0 HB THR A 108 20.641 3.675 92.979 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.847 3.766 95.284 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.805 1.827 94.166 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.554 2.129 92.580 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.338 2.724 94.062 1.00 0.00 H new ATOM 1656 N ASP A 109 23.740 4.898 94.644 1.00 0.00 N ATOM 1657 CA ASP A 109 24.974 5.033 95.458 1.00 0.00 C ATOM 1658 C ASP A 109 24.918 4.053 96.637 1.00 0.00 C ATOM 1659 O ASP A 109 25.883 3.896 97.355 1.00 0.00 O ATOM 1660 CB ASP A 109 25.115 6.463 95.984 1.00 0.00 C ATOM 1661 CG ASP A 109 26.304 6.528 96.946 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.231 5.754 96.763 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.266 7.344 97.851 1.00 0.00 O ATOM 0 H ASP A 109 22.895 4.707 95.183 1.00 0.00 H new ATOM 0 HA ASP A 109 25.836 4.805 94.831 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.263 7.155 95.155 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.201 6.768 96.494 1.00 0.00 H new ATOM 1668 N ASN A 110 23.816 3.366 96.833 1.00 0.00 N ATOM 1669 CA ASN A 110 23.778 2.383 97.958 1.00 0.00 C ATOM 1670 C ASN A 110 24.614 1.184 97.508 1.00 0.00 C ATOM 1671 O ASN A 110 24.562 0.773 96.366 1.00 0.00 O ATOM 1672 CB ASN A 110 22.334 1.966 98.297 1.00 0.00 C ATOM 1673 CG ASN A 110 21.740 1.145 97.165 1.00 0.00 C ATOM 1674 OD1 ASN A 110 20.771 0.435 97.352 1.00 0.00 O ATOM 1675 ND2 ASN A 110 22.282 1.216 95.996 1.00 0.00 N ATOM 0 H ASN A 110 22.964 3.441 96.278 1.00 0.00 H new ATOM 0 HA ASN A 110 24.181 2.821 98.871 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.323 1.386 99.220 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.724 2.852 98.471 1.00 0.00 H new ATOM 0 HD21 ASN A 110 21.898 0.674 95.222 1.00 0.00 H new ATOM 0 HD22 ASN A 110 23.095 1.814 95.846 1.00 0.00 H new ATOM 1682 N GLN A 111 25.447 0.677 98.365 1.00 0.00 N ATOM 1683 CA GLN A 111 26.362 -0.430 97.955 1.00 0.00 C ATOM 1684 C GLN A 111 25.645 -1.782 97.744 1.00 0.00 C ATOM 1685 O GLN A 111 26.287 -2.785 97.509 1.00 0.00 O ATOM 1686 CB GLN A 111 27.462 -0.561 99.006 1.00 0.00 C ATOM 1687 CG GLN A 111 28.335 -1.785 98.709 1.00 0.00 C ATOM 1688 CD GLN A 111 29.724 -1.564 99.301 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.680 -1.359 98.579 1.00 0.00 O ATOM 1690 NE2 GLN A 111 29.876 -1.595 100.595 1.00 0.00 N ATOM 0 H GLN A 111 25.538 0.978 99.335 1.00 0.00 H new ATOM 0 HA GLN A 111 26.781 -0.171 96.983 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.076 0.339 99.014 1.00 0.00 H new ATOM 0 HB3 GLN A 111 27.019 -0.653 99.997 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.883 -2.681 99.135 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.406 -1.944 97.633 1.00 0.00 H new ATOM 0 HE21 GLN A 111 29.072 -1.767 101.199 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.799 -1.447 101.004 1.00 0.00 H new ATOM 1699 N ALA A 112 24.342 -1.837 97.777 1.00 0.00 N ATOM 1700 CA ALA A 112 23.669 -3.148 97.526 1.00 0.00 C ATOM 1701 C ALA A 112 23.551 -3.318 96.015 1.00 0.00 C ATOM 1702 O ALA A 112 23.832 -4.357 95.439 1.00 0.00 O ATOM 1703 CB ALA A 112 22.276 -3.149 98.159 1.00 0.00 C ATOM 0 H ALA A 112 23.722 -1.049 97.963 1.00 0.00 H new ATOM 0 HA ALA A 112 24.243 -3.965 97.963 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.792 -4.108 97.972 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.365 -2.991 99.234 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.678 -2.349 97.723 1.00 0.00 H new ATOM 1709 N ILE A 113 23.181 -2.262 95.379 1.00 0.00 N ATOM 1710 CA ILE A 113 23.061 -2.252 93.901 1.00 0.00 C ATOM 1711 C ILE A 113 24.461 -2.361 93.331 1.00 0.00 C ATOM 1712 O ILE A 113 24.776 -3.228 92.532 1.00 0.00 O ATOM 1713 CB ILE A 113 22.479 -0.895 93.498 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.950 -0.936 93.506 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.980 -0.500 92.108 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.423 -0.797 94.933 1.00 0.00 C ATOM 0 H ILE A 113 22.948 -1.376 95.829 1.00 0.00 H new ATOM 0 HA ILE A 113 22.432 -3.066 93.541 1.00 0.00 H new ATOM 0 HB ILE A 113 22.810 -0.152 94.224 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.555 -0.132 92.885 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.602 -1.874 93.072 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.560 0.467 91.831 1.00 0.00 H new ATOM 0 HG22 ILE A 113 24.068 -0.433 92.119 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.670 -1.252 91.382 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.333 -0.828 94.923 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.804 -1.616 95.543 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.755 0.153 95.353 1.00 0.00 H new ATOM 1728 N LYS A 114 25.301 -1.472 93.749 1.00 0.00 N ATOM 1729 CA LYS A 114 26.683 -1.486 93.258 1.00 0.00 C ATOM 1730 C LYS A 114 27.254 -2.880 93.509 1.00 0.00 C ATOM 1731 O LYS A 114 28.271 -3.260 92.963 1.00 0.00 O ATOM 1732 CB LYS A 114 27.497 -0.421 94.003 1.00 0.00 C ATOM 1733 CG LYS A 114 26.723 0.908 94.016 1.00 0.00 C ATOM 1734 CD LYS A 114 26.711 1.515 92.610 1.00 0.00 C ATOM 1735 CE LYS A 114 26.159 2.940 92.676 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.229 3.866 93.143 1.00 0.00 N ATOM 0 H LYS A 114 25.083 -0.731 94.416 1.00 0.00 H new ATOM 0 HA LYS A 114 26.724 -1.260 92.192 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.694 -0.748 95.024 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.464 -0.285 93.520 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.702 0.741 94.359 1.00 0.00 H new ATOM 0 HG3 LYS A 114 27.186 1.602 94.718 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.720 1.523 92.197 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.099 0.907 91.945 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.800 3.248 91.694 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.307 2.980 93.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 26.932 4.849 92.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.397 3.718 94.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.106 3.678 92.616 1.00 0.00 H new ATOM 1750 N ALA A 115 26.579 -3.655 94.323 1.00 0.00 N ATOM 1751 CA ALA A 115 27.055 -5.034 94.599 1.00 0.00 C ATOM 1752 C ALA A 115 26.991 -5.829 93.304 1.00 0.00 C ATOM 1753 O ALA A 115 27.824 -6.670 93.047 1.00 0.00 O ATOM 1754 CB ALA A 115 26.176 -5.705 95.659 1.00 0.00 C ATOM 0 H ALA A 115 25.721 -3.387 94.805 1.00 0.00 H new ATOM 0 HA ALA A 115 28.077 -4.999 94.976 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.540 -6.715 95.848 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.214 -5.127 96.582 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.147 -5.751 95.302 1.00 0.00 H new ATOM 1760 N LEU A 116 26.034 -5.562 92.459 1.00 0.00 N ATOM 1761 CA LEU A 116 25.998 -6.318 91.176 1.00 0.00 C ATOM 1762 C LEU A 116 27.182 -5.847 90.328 1.00 0.00 C ATOM 1763 O LEU A 116 27.720 -6.580 89.522 1.00 0.00 O ATOM 1764 CB LEU A 116 24.686 -6.037 90.425 1.00 0.00 C ATOM 1765 CG LEU A 116 23.680 -7.197 90.569 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.509 -6.958 89.603 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.335 -8.545 90.229 1.00 0.00 C ATOM 0 H LEU A 116 25.294 -4.873 92.594 1.00 0.00 H new ATOM 0 HA LEU A 116 26.058 -7.389 91.370 1.00 0.00 H new ATOM 0 HB2 LEU A 116 24.239 -5.119 90.807 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.901 -5.872 89.369 1.00 0.00 H new ATOM 0 HG LEU A 116 23.333 -7.230 91.602 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.790 -7.772 89.695 1.00 0.00 H new ATOM 0 HD12 LEU A 116 22.022 -6.014 89.848 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.883 -6.918 88.580 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.602 -9.344 90.339 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.697 -8.525 89.201 1.00 0.00 H new ATOM 0 HD23 LEU A 116 25.171 -8.724 90.905 1.00 0.00 H new ATOM 1779 N LEU A 117 27.614 -4.628 90.528 1.00 0.00 N ATOM 1780 CA LEU A 117 28.781 -4.123 89.756 1.00 0.00 C ATOM 1781 C LEU A 117 30.030 -4.692 90.419 1.00 0.00 C ATOM 1782 O LEU A 117 31.153 -4.407 90.062 1.00 0.00 O ATOM 1783 CB LEU A 117 28.760 -2.576 89.750 1.00 0.00 C ATOM 1784 CG LEU A 117 29.874 -1.965 90.631 1.00 0.00 C ATOM 1785 CD1 LEU A 117 31.214 -1.945 89.869 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.504 -0.518 90.988 1.00 0.00 C ATOM 0 H LEU A 117 27.209 -3.966 91.190 1.00 0.00 H new ATOM 0 HA LEU A 117 28.758 -4.438 88.713 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.873 -2.218 88.727 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.790 -2.228 90.104 1.00 0.00 H new ATOM 0 HG LEU A 117 29.974 -2.571 91.531 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.987 -1.512 90.504 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.494 -2.963 89.599 1.00 0.00 H new ATOM 0 HD13 LEU A 117 31.109 -1.346 88.965 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.288 -0.085 91.609 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.400 0.067 90.074 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.561 -0.508 91.534 1.00 0.00 H new ATOM 1798 N GLN A 118 29.810 -5.532 91.384 1.00 0.00 N ATOM 1799 CA GLN A 118 30.921 -6.179 92.110 1.00 0.00 C ATOM 1800 C GLN A 118 31.535 -7.266 91.227 1.00 0.00 C ATOM 1801 O GLN A 118 30.860 -7.704 90.310 1.00 0.00 O ATOM 1802 CB GLN A 118 30.352 -6.811 93.373 1.00 0.00 C ATOM 1803 CG GLN A 118 31.481 -7.316 94.249 1.00 0.00 C ATOM 1804 CD GLN A 118 30.905 -7.946 95.522 1.00 0.00 C ATOM 1805 OE1 GLN A 118 31.020 -9.137 95.726 1.00 0.00 O ATOM 1806 NE2 GLN A 118 30.282 -7.195 96.391 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.664 -7.649 91.486 1.00 0.00 O ATOM 0 H GLN A 118 28.880 -5.802 91.706 1.00 0.00 H new ATOM 0 HA GLN A 118 31.690 -5.449 92.364 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.755 -6.080 93.919 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.687 -7.634 93.111 1.00 0.00 H new ATOM 0 HG2 GLN A 118 32.076 -8.050 93.705 1.00 0.00 H new ATOM 0 HG3 GLN A 118 32.148 -6.494 94.508 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.184 -6.194 96.222 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.894 -7.610 97.238 1.00 0.00 H new