USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 893 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 THR OG1 : rot 40:sc= -0.956! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -10.7! C(o=-14!,f=-12!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -110:sc= -1.28 (180deg=-4.77!) USER MOD Set 2.2: A 95 THR OG1 : rot 31:sc= -0.85 USER MOD Set 2.3: A 103 THR OG1 : rot 82:sc= -0.25 USER MOD Single : A 4 LYS NZ :NH3+ 153:sc= -0.0837 (180deg=-0.614) USER MOD Single : A 7 MET CE :methyl -163:sc= -1.36 (180deg=-2.67!) USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.677) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.353 F(o=-1.2,f=-0.35) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= -1.16 (180deg=-1.49) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 145:sc= -1.08 (180deg=-1.17) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.79 F(o=-4.3!,f=-0.79) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 37 LYS NZ :NH3+ -121:sc= -0.877 (180deg=-3.24!) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.471 F(o=-1.6!,f=-0.47) USER MOD Single : A 41 TYR OH : rot 180:sc= -4.24! USER MOD Single : A 45 CYS SG : rot -9:sc= -4.28! USER MOD Single : A 47 GLN :FLIP amide:sc= -1.69! C(o=-4!,f=-1.7!) USER MOD Single : A 57 LYS NZ :NH3+ -171:sc= -0.177 (180deg=-0.311) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.839! C(o=-9.9!,f=-0.84!) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc=-0.00524 (180deg=-0.146) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.367 F(o=-1.3,f=-0.37) USER MOD Single : A 68 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-3.4!) USER MOD Single : A 70 THR OG1 : rot -157:sc= -10.5! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -130:sc= -0.166 USER MOD Single : A 80 HIS : no HD1:sc= -0.164 K(o=-0.16,f=-2.6!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -160:sc= -2.62! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -120:sc= -1.58 (180deg=-5.08!) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= 0.541 (180deg=-0.367!) USER MOD Single : A 111 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 160:sc= -0.919 (180deg=-1.72) USER MOD Single : A 118 GLN : amide:sc= -2.67! C(o=-2.7!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.388 -7.644 85.725 1.00 0.00 N ATOM 44 CA LYS A 4 -6.355 -7.212 87.148 1.00 0.00 C ATOM 45 C LYS A 4 -5.931 -8.384 88.037 1.00 0.00 C ATOM 46 O LYS A 4 -5.045 -8.263 88.860 1.00 0.00 O ATOM 47 CB LYS A 4 -7.748 -6.739 87.566 1.00 0.00 C ATOM 48 CG LYS A 4 -8.035 -5.364 86.951 1.00 0.00 C ATOM 49 CD LYS A 4 -7.276 -4.274 87.721 1.00 0.00 C ATOM 50 CE LYS A 4 -7.975 -2.925 87.527 1.00 0.00 C ATOM 51 NZ LYS A 4 -9.278 -2.937 88.247 1.00 0.00 N ATOM 0 HA LYS A 4 -5.639 -6.397 87.260 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.500 -7.458 87.239 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.812 -6.682 88.653 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.735 -5.356 85.903 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.106 -5.161 86.978 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.236 -4.525 88.781 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.246 -4.215 87.368 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.346 -2.119 87.904 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.135 -2.735 86.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.536 -1.966 88.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.014 -3.332 87.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.196 -3.522 89.103 1.00 0.00 H new ATOM 65 N GLU A 5 -6.563 -9.516 87.883 1.00 0.00 N ATOM 66 CA GLU A 5 -6.204 -10.693 88.727 1.00 0.00 C ATOM 67 C GLU A 5 -4.771 -11.132 88.421 1.00 0.00 C ATOM 68 O GLU A 5 -3.916 -11.114 89.281 1.00 0.00 O ATOM 69 CB GLU A 5 -7.162 -11.849 88.433 1.00 0.00 C ATOM 70 CG GLU A 5 -8.585 -11.445 88.828 1.00 0.00 C ATOM 71 CD GLU A 5 -8.683 -11.329 90.351 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.553 -12.346 91.013 1.00 0.00 O ATOM 73 OE2 GLU A 5 -8.888 -10.225 90.829 1.00 0.00 O ATOM 0 H GLU A 5 -7.312 -9.677 87.210 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.281 -10.414 89.778 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.126 -12.105 87.374 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.858 -12.737 88.986 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.846 -10.494 88.363 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.298 -12.184 88.463 1.00 0.00 H new ATOM 80 N PHE A 6 -4.501 -11.524 87.207 1.00 0.00 N ATOM 81 CA PHE A 6 -3.119 -11.960 86.857 1.00 0.00 C ATOM 82 C PHE A 6 -2.140 -10.853 87.245 1.00 0.00 C ATOM 83 O PHE A 6 -1.045 -11.104 87.705 1.00 0.00 O ATOM 84 CB PHE A 6 -3.038 -12.213 85.348 1.00 0.00 C ATOM 85 CG PHE A 6 -1.719 -12.868 85.008 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.441 -14.162 85.466 1.00 0.00 C ATOM 87 CD2 PHE A 6 -0.775 -12.183 84.232 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.221 -14.770 85.149 1.00 0.00 C ATOM 89 CE2 PHE A 6 0.446 -12.791 83.915 1.00 0.00 C ATOM 90 CZ PHE A 6 0.723 -14.085 84.374 1.00 0.00 C ATOM 0 H PHE A 6 -5.176 -11.562 86.443 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.868 -12.877 87.391 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.863 -12.851 85.032 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.137 -11.272 84.807 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.168 -14.691 86.064 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.989 -11.185 83.878 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.007 -15.768 85.502 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.174 -12.262 83.317 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.665 -14.554 84.130 1.00 0.00 H new ATOM 100 N MET A 7 -2.537 -9.626 87.062 1.00 0.00 N ATOM 101 CA MET A 7 -1.654 -8.479 87.413 1.00 0.00 C ATOM 102 C MET A 7 -1.549 -8.342 88.935 1.00 0.00 C ATOM 103 O MET A 7 -0.514 -8.588 89.525 1.00 0.00 O ATOM 104 CB MET A 7 -2.270 -7.203 86.834 1.00 0.00 C ATOM 105 CG MET A 7 -1.366 -6.000 87.120 1.00 0.00 C ATOM 106 SD MET A 7 -2.348 -4.476 87.074 1.00 0.00 S ATOM 107 CE MET A 7 -3.273 -4.833 85.559 1.00 0.00 C ATOM 0 H MET A 7 -3.446 -9.365 86.680 1.00 0.00 H new ATOM 0 HA MET A 7 -0.657 -8.644 87.004 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.410 -7.314 85.759 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.256 -7.037 87.268 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.894 -6.111 88.096 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.565 -5.951 86.382 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.714 -3.913 85.177 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.599 -5.251 84.811 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.064 -5.551 85.776 1.00 0.00 H new ATOM 117 N TRP A 8 -2.615 -7.934 89.568 1.00 0.00 N ATOM 118 CA TRP A 8 -2.596 -7.757 91.046 1.00 0.00 C ATOM 119 C TRP A 8 -1.991 -8.997 91.705 1.00 0.00 C ATOM 120 O TRP A 8 -1.652 -8.999 92.872 1.00 0.00 O ATOM 121 CB TRP A 8 -4.029 -7.555 91.534 1.00 0.00 C ATOM 122 CG TRP A 8 -4.018 -7.121 92.959 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.044 -7.954 94.023 1.00 0.00 C ATOM 124 CD2 TRP A 8 -3.988 -5.768 93.496 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.028 -7.199 95.181 1.00 0.00 N ATOM 126 CE2 TRP A 8 -3.994 -5.845 94.908 1.00 0.00 C ATOM 127 CE3 TRP A 8 -3.956 -4.493 92.902 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -3.967 -4.699 95.702 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -3.930 -3.337 93.699 1.00 0.00 C ATOM 130 CH2 TRP A 8 -3.936 -3.441 95.097 1.00 0.00 C ATOM 0 H TRP A 8 -3.505 -7.714 89.120 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.992 -6.889 91.310 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.530 -6.807 90.920 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.593 -8.482 91.431 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.073 -9.033 93.976 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.040 -7.593 96.122 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.951 -4.403 91.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.970 -4.784 96.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.905 -2.363 93.233 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.917 -2.549 95.705 1.00 0.00 H new ATOM 141 N ALA A 9 -1.849 -10.045 90.953 1.00 0.00 N ATOM 142 CA ALA A 9 -1.262 -11.299 91.493 1.00 0.00 C ATOM 143 C ALA A 9 0.254 -11.136 91.601 1.00 0.00 C ATOM 144 O ALA A 9 0.817 -11.119 92.677 1.00 0.00 O ATOM 145 CB ALA A 9 -1.604 -12.442 90.530 1.00 0.00 C ATOM 0 H ALA A 9 -2.119 -10.088 89.970 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.664 -11.519 92.482 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.182 -13.374 90.907 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.687 -12.539 90.451 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.186 -12.226 89.547 1.00 0.00 H new ATOM 151 N LEU A 10 0.911 -11.020 90.490 1.00 0.00 N ATOM 152 CA LEU A 10 2.389 -10.855 90.500 1.00 0.00 C ATOM 153 C LEU A 10 2.809 -9.901 91.619 1.00 0.00 C ATOM 154 O LEU A 10 3.959 -9.844 92.008 1.00 0.00 O ATOM 155 CB LEU A 10 2.828 -10.222 89.178 1.00 0.00 C ATOM 156 CG LEU A 10 2.240 -10.986 87.975 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.659 -9.991 86.951 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.350 -11.816 87.309 1.00 0.00 C ATOM 0 H LEU A 10 0.486 -11.032 89.563 1.00 0.00 H new ATOM 0 HA LEU A 10 2.846 -11.834 90.647 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.506 -9.181 89.145 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.916 -10.221 89.115 1.00 0.00 H new ATOM 0 HG LEU A 10 1.444 -11.645 88.322 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.246 -10.540 86.105 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.871 -9.403 87.422 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.449 -9.326 86.602 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.938 -12.358 86.458 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.145 -11.153 86.967 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.755 -12.526 88.030 1.00 0.00 H new ATOM 170 N LYS A 11 1.892 -9.114 92.090 1.00 0.00 N ATOM 171 CA LYS A 11 2.223 -8.102 93.131 1.00 0.00 C ATOM 172 C LYS A 11 2.046 -8.624 94.566 1.00 0.00 C ATOM 173 O LYS A 11 2.973 -8.618 95.351 1.00 0.00 O ATOM 174 CB LYS A 11 1.296 -6.912 92.912 1.00 0.00 C ATOM 175 CG LYS A 11 1.350 -5.964 94.109 1.00 0.00 C ATOM 176 CD LYS A 11 0.591 -4.683 93.758 1.00 0.00 C ATOM 177 CE LYS A 11 0.070 -4.027 95.036 1.00 0.00 C ATOM 178 NZ LYS A 11 1.133 -4.065 96.077 1.00 0.00 N ATOM 0 H LYS A 11 0.915 -9.126 91.797 1.00 0.00 H new ATOM 0 HA LYS A 11 3.275 -7.837 93.030 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.586 -6.380 92.006 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.274 -7.262 92.763 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.907 -6.437 94.985 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.385 -5.733 94.361 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.247 -3.994 93.226 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.240 -4.912 93.091 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.223 -2.996 94.836 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.820 -4.548 95.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.979 -3.295 96.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.100 -4.978 96.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.064 -3.948 95.627 1.00 0.00 H new ATOM 192 N ASN A 12 0.853 -9.000 94.936 1.00 0.00 N ATOM 193 CA ASN A 12 0.597 -9.433 96.348 1.00 0.00 C ATOM 194 C ASN A 12 1.182 -10.815 96.640 1.00 0.00 C ATOM 195 O ASN A 12 0.640 -11.575 97.419 1.00 0.00 O ATOM 196 CB ASN A 12 -0.908 -9.481 96.562 1.00 0.00 C ATOM 197 CG ASN A 12 -1.229 -9.503 98.057 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.529 -8.768 98.877 1.00 0.00 O flip ATOM 199 ND2 ASN A 12 -2.129 -10.197 98.484 1.00 0.00 N flip ATOM 0 H ASN A 12 0.039 -9.028 94.322 1.00 0.00 H new ATOM 0 HA ASN A 12 1.077 -8.721 97.020 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.377 -8.615 96.095 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.323 -10.367 96.081 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.677 -10.772 97.844 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.337 -10.205 99.483 1.00 0.00 H new ATOM 206 N GLY A 13 2.289 -11.134 96.046 1.00 0.00 N ATOM 207 CA GLY A 13 2.922 -12.455 96.313 1.00 0.00 C ATOM 208 C GLY A 13 1.892 -13.566 96.120 1.00 0.00 C ATOM 209 O GLY A 13 2.007 -14.641 96.675 1.00 0.00 O ATOM 0 H GLY A 13 2.788 -10.539 95.385 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.766 -12.607 95.641 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.315 -12.482 97.329 1.00 0.00 H new ATOM 213 N ASP A 14 0.887 -13.316 95.337 1.00 0.00 N ATOM 214 CA ASP A 14 -0.155 -14.351 95.095 1.00 0.00 C ATOM 215 C ASP A 14 0.459 -15.499 94.310 1.00 0.00 C ATOM 216 O ASP A 14 -0.233 -16.287 93.707 1.00 0.00 O ATOM 217 CB ASP A 14 -1.244 -13.748 94.235 1.00 0.00 C ATOM 218 CG ASP A 14 -0.809 -13.879 92.777 1.00 0.00 C ATOM 219 OD1 ASP A 14 0.225 -13.331 92.446 1.00 0.00 O ATOM 220 OD2 ASP A 14 -1.484 -14.560 92.031 1.00 0.00 O ATOM 0 H ASP A 14 0.739 -12.433 94.849 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.552 -14.701 96.048 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.191 -14.263 94.400 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.401 -12.701 94.495 1.00 0.00 H new ATOM 225 N LEU A 15 1.749 -15.555 94.295 1.00 0.00 N ATOM 226 CA LEU A 15 2.482 -16.604 93.545 1.00 0.00 C ATOM 227 C LEU A 15 1.586 -17.809 93.264 1.00 0.00 C ATOM 228 O LEU A 15 1.722 -18.476 92.261 1.00 0.00 O ATOM 229 CB LEU A 15 3.674 -17.007 94.406 1.00 0.00 C ATOM 230 CG LEU A 15 4.680 -17.879 93.638 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.239 -19.345 93.657 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.824 -17.409 92.183 1.00 0.00 C ATOM 0 H LEU A 15 2.351 -14.895 94.788 1.00 0.00 H new ATOM 0 HA LEU A 15 2.809 -16.226 92.576 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.177 -16.111 94.769 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.320 -17.551 95.282 1.00 0.00 H new ATOM 0 HG LEU A 15 5.646 -17.783 94.133 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.962 -19.949 93.109 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.181 -19.694 94.688 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.259 -19.436 93.188 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.542 -18.045 91.665 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.857 -17.471 91.683 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.175 -16.377 92.167 1.00 0.00 H new ATOM 244 N ASP A 16 0.669 -18.080 94.137 1.00 0.00 N ATOM 245 CA ASP A 16 -0.246 -19.229 93.941 1.00 0.00 C ATOM 246 C ASP A 16 -1.168 -19.003 92.732 1.00 0.00 C ATOM 247 O ASP A 16 -1.503 -19.931 92.023 1.00 0.00 O ATOM 248 CB ASP A 16 -1.085 -19.406 95.203 1.00 0.00 C ATOM 249 CG ASP A 16 -0.195 -19.217 96.433 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.796 -19.921 96.535 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.517 -18.370 97.250 1.00 0.00 O ATOM 0 H ASP A 16 0.511 -17.547 94.992 1.00 0.00 H new ATOM 0 HA ASP A 16 0.345 -20.125 93.749 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.901 -18.683 95.216 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.538 -20.397 95.216 1.00 0.00 H new ATOM 256 N GLU A 17 -1.607 -17.794 92.502 1.00 0.00 N ATOM 257 CA GLU A 17 -2.530 -17.551 91.348 1.00 0.00 C ATOM 258 C GLU A 17 -1.740 -17.440 90.037 1.00 0.00 C ATOM 259 O GLU A 17 -2.175 -17.902 89.001 1.00 0.00 O ATOM 260 CB GLU A 17 -3.326 -16.259 91.578 1.00 0.00 C ATOM 261 CG GLU A 17 -4.822 -16.541 91.422 1.00 0.00 C ATOM 262 CD GLU A 17 -5.590 -15.218 91.374 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.773 -14.625 92.424 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.981 -14.822 90.288 1.00 0.00 O ATOM 0 H GLU A 17 -1.371 -16.970 93.055 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.217 -18.394 91.274 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.122 -15.867 92.574 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.014 -15.496 90.865 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.002 -17.111 90.511 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.177 -17.149 92.254 1.00 0.00 H new ATOM 271 N VAL A 18 -0.587 -16.836 90.066 1.00 0.00 N ATOM 272 CA VAL A 18 0.208 -16.708 88.805 1.00 0.00 C ATOM 273 C VAL A 18 0.704 -18.093 88.414 1.00 0.00 C ATOM 274 O VAL A 18 0.884 -18.404 87.255 1.00 0.00 O ATOM 275 CB VAL A 18 1.419 -15.792 89.035 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.269 -14.503 88.218 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.509 -15.450 90.520 1.00 0.00 C ATOM 0 H VAL A 18 -0.160 -16.427 90.897 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.415 -16.282 88.019 1.00 0.00 H new ATOM 0 HB VAL A 18 2.326 -16.305 88.717 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.133 -13.861 88.389 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.204 -14.749 87.158 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.363 -13.981 88.525 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.367 -14.800 90.692 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.598 -14.939 90.832 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.627 -16.367 91.098 1.00 0.00 H new ATOM 287 N LYS A 19 0.932 -18.916 89.391 1.00 0.00 N ATOM 288 CA LYS A 19 1.426 -20.293 89.136 1.00 0.00 C ATOM 289 C LYS A 19 0.353 -21.114 88.421 1.00 0.00 C ATOM 290 O LYS A 19 0.647 -21.977 87.616 1.00 0.00 O ATOM 291 CB LYS A 19 1.752 -20.926 90.488 1.00 0.00 C ATOM 292 CG LYS A 19 2.463 -22.267 90.300 1.00 0.00 C ATOM 293 CD LYS A 19 3.113 -22.691 91.626 1.00 0.00 C ATOM 294 CE LYS A 19 4.527 -22.107 91.719 1.00 0.00 C ATOM 295 NZ LYS A 19 5.061 -22.302 93.098 1.00 0.00 N ATOM 0 H LYS A 19 0.794 -18.689 90.376 1.00 0.00 H new ATOM 0 HA LYS A 19 2.312 -20.267 88.501 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.383 -20.252 91.068 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.834 -21.072 91.057 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.752 -23.025 89.972 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.221 -22.183 89.521 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.510 -22.344 92.465 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.153 -23.778 91.691 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.180 -22.592 90.994 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.510 -21.046 91.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.933 -21.748 93.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.354 -21.985 93.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.268 -23.310 93.251 1.00 0.00 H new ATOM 309 N ASP A 20 -0.884 -20.859 88.719 1.00 0.00 N ATOM 310 CA ASP A 20 -1.988 -21.626 88.080 1.00 0.00 C ATOM 311 C ASP A 20 -2.134 -21.238 86.601 1.00 0.00 C ATOM 312 O ASP A 20 -2.269 -22.086 85.736 1.00 0.00 O ATOM 313 CB ASP A 20 -3.300 -21.328 88.811 1.00 0.00 C ATOM 314 CG ASP A 20 -4.375 -22.312 88.349 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.921 -22.102 87.278 1.00 0.00 O ATOM 316 OD2 ASP A 20 -4.635 -23.260 89.072 1.00 0.00 O ATOM 0 H ASP A 20 -1.184 -20.146 89.384 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.756 -22.689 88.142 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.155 -21.410 89.888 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.617 -20.305 88.609 1.00 0.00 H new ATOM 321 N TYR A 21 -2.138 -19.964 86.309 1.00 0.00 N ATOM 322 CA TYR A 21 -2.312 -19.521 84.895 1.00 0.00 C ATOM 323 C TYR A 21 -1.190 -20.073 84.009 1.00 0.00 C ATOM 324 O TYR A 21 -1.448 -20.674 82.989 1.00 0.00 O ATOM 325 CB TYR A 21 -2.319 -17.992 84.833 1.00 0.00 C ATOM 326 CG TYR A 21 -3.680 -17.482 85.247 1.00 0.00 C ATOM 327 CD1 TYR A 21 -4.775 -17.617 84.382 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.847 -16.875 86.495 1.00 0.00 C ATOM 329 CE1 TYR A 21 -6.035 -17.144 84.770 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.106 -16.403 86.883 1.00 0.00 C ATOM 331 CZ TYR A 21 -6.200 -16.536 86.021 1.00 0.00 C ATOM 332 OH TYR A 21 -7.442 -16.069 86.404 1.00 0.00 O ATOM 0 H TYR A 21 -2.028 -19.211 86.989 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.262 -19.906 84.525 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.550 -17.586 85.491 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.084 -17.656 83.823 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.647 -18.085 83.417 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.003 -16.770 87.161 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.879 -17.248 84.105 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.233 -15.936 87.848 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.382 -15.677 87.300 1.00 0.00 H new ATOM 342 N VAL A 22 0.050 -19.882 84.367 1.00 0.00 N ATOM 343 CA VAL A 22 1.137 -20.420 83.504 1.00 0.00 C ATOM 344 C VAL A 22 1.062 -21.947 83.517 1.00 0.00 C ATOM 345 O VAL A 22 1.639 -22.613 82.682 1.00 0.00 O ATOM 346 CB VAL A 22 2.510 -19.947 84.002 1.00 0.00 C ATOM 347 CG1 VAL A 22 2.940 -20.749 85.233 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.543 -20.139 82.889 1.00 0.00 C ATOM 0 H VAL A 22 0.354 -19.386 85.205 1.00 0.00 H new ATOM 0 HA VAL A 22 1.009 -20.053 82.486 1.00 0.00 H new ATOM 0 HB VAL A 22 2.442 -18.894 84.274 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.915 -20.400 85.572 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.209 -20.613 86.030 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.003 -21.806 84.975 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.520 -19.804 83.238 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.596 -21.194 82.619 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.250 -19.556 82.016 1.00 0.00 H new ATOM 358 N ALA A 23 0.342 -22.507 84.453 1.00 0.00 N ATOM 359 CA ALA A 23 0.224 -23.987 84.503 1.00 0.00 C ATOM 360 C ALA A 23 -0.409 -24.450 83.196 1.00 0.00 C ATOM 361 O ALA A 23 -0.244 -25.578 82.772 1.00 0.00 O ATOM 362 CB ALA A 23 -0.661 -24.399 85.684 1.00 0.00 C ATOM 0 H ALA A 23 -0.166 -22.003 85.180 1.00 0.00 H new ATOM 0 HA ALA A 23 1.206 -24.442 84.632 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.744 -25.485 85.715 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.217 -24.042 86.613 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.653 -23.963 85.565 1.00 0.00 H new ATOM 368 N LYS A 24 -1.119 -23.568 82.549 1.00 0.00 N ATOM 369 CA LYS A 24 -1.759 -23.921 81.259 1.00 0.00 C ATOM 370 C LYS A 24 -0.675 -24.364 80.273 1.00 0.00 C ATOM 371 O LYS A 24 -0.496 -25.541 80.026 1.00 0.00 O ATOM 372 CB LYS A 24 -2.504 -22.698 80.703 1.00 0.00 C ATOM 373 CG LYS A 24 -3.957 -22.700 81.196 1.00 0.00 C ATOM 374 CD LYS A 24 -3.990 -22.778 82.725 1.00 0.00 C ATOM 375 CE LYS A 24 -5.368 -22.337 83.227 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.378 -22.320 84.717 1.00 0.00 N ATOM 0 H LYS A 24 -1.282 -22.612 82.864 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.472 -24.732 81.407 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.005 -21.782 81.020 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.481 -22.712 79.613 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.466 -21.797 80.858 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.494 -23.547 80.769 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.780 -23.796 83.053 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.215 -22.140 83.150 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.606 -21.346 82.841 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.135 -23.017 82.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.976 -21.538 85.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.757 -23.221 85.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.408 -22.189 85.069 1.00 0.00 H new ATOM 390 N GLY A 25 0.048 -23.439 79.705 1.00 0.00 N ATOM 391 CA GLY A 25 1.110 -23.828 78.737 1.00 0.00 C ATOM 392 C GLY A 25 2.126 -22.695 78.545 1.00 0.00 C ATOM 393 O GLY A 25 2.044 -21.926 77.611 1.00 0.00 O ATOM 0 H GLY A 25 -0.050 -22.437 79.868 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.621 -24.722 79.094 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.657 -24.081 77.778 1.00 0.00 H new ATOM 397 N GLU A 26 3.093 -22.619 79.418 1.00 0.00 N ATOM 398 CA GLU A 26 4.167 -21.574 79.320 1.00 0.00 C ATOM 399 C GLU A 26 3.662 -20.269 78.689 1.00 0.00 C ATOM 400 O GLU A 26 3.383 -20.190 77.511 1.00 0.00 O ATOM 401 CB GLU A 26 5.377 -22.115 78.532 1.00 0.00 C ATOM 402 CG GLU A 26 4.930 -23.044 77.396 1.00 0.00 C ATOM 403 CD GLU A 26 4.272 -22.229 76.283 1.00 0.00 C ATOM 404 OE1 GLU A 26 4.804 -21.185 75.948 1.00 0.00 O ATOM 405 OE2 GLU A 26 3.250 -22.667 75.781 1.00 0.00 O ATOM 0 H GLU A 26 3.191 -23.249 80.214 1.00 0.00 H new ATOM 0 HA GLU A 26 4.476 -21.340 80.339 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.948 -21.283 78.121 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.041 -22.655 79.207 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.788 -23.588 77.001 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.229 -23.787 77.777 1.00 0.00 H new ATOM 412 N ASP A 27 3.584 -19.233 79.478 1.00 0.00 N ATOM 413 CA ASP A 27 3.145 -17.904 78.964 1.00 0.00 C ATOM 414 C ASP A 27 3.842 -16.831 79.800 1.00 0.00 C ATOM 415 O ASP A 27 3.213 -15.944 80.341 1.00 0.00 O ATOM 416 CB ASP A 27 1.631 -17.754 79.117 1.00 0.00 C ATOM 417 CG ASP A 27 0.928 -18.991 78.557 1.00 0.00 C ATOM 418 OD1 ASP A 27 0.849 -19.105 77.345 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.474 -19.799 79.350 1.00 0.00 O ATOM 0 H ASP A 27 3.809 -19.251 80.473 1.00 0.00 H new ATOM 0 HA ASP A 27 3.400 -17.807 77.909 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.374 -17.623 80.168 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.290 -16.862 78.592 1.00 0.00 H new ATOM 424 N VAL A 28 5.138 -16.936 79.947 1.00 0.00 N ATOM 425 CA VAL A 28 5.883 -15.958 80.792 1.00 0.00 C ATOM 426 C VAL A 28 6.689 -14.973 79.937 1.00 0.00 C ATOM 427 O VAL A 28 7.900 -14.924 80.010 1.00 0.00 O ATOM 428 CB VAL A 28 6.830 -16.736 81.706 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.010 -17.681 82.591 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.813 -17.562 80.859 1.00 0.00 C ATOM 0 H VAL A 28 5.713 -17.660 79.516 1.00 0.00 H new ATOM 0 HA VAL A 28 5.167 -15.379 81.375 1.00 0.00 H new ATOM 0 HB VAL A 28 7.390 -16.036 82.326 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.680 -18.239 83.245 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.313 -17.100 83.195 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.454 -18.377 81.963 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.485 -18.114 81.516 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.257 -18.263 80.237 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.395 -16.895 80.223 1.00 0.00 H new ATOM 440 N ASN A 29 6.028 -14.179 79.146 1.00 0.00 N ATOM 441 CA ASN A 29 6.742 -13.187 78.305 1.00 0.00 C ATOM 442 C ASN A 29 5.708 -12.362 77.540 1.00 0.00 C ATOM 443 O ASN A 29 5.981 -11.828 76.484 1.00 0.00 O ATOM 444 CB ASN A 29 7.648 -13.908 77.311 1.00 0.00 C ATOM 445 CG ASN A 29 6.888 -15.058 76.655 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.659 -16.142 77.337 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 6.502 -14.970 75.505 1.00 0.00 N flip ATOM 0 H ASN A 29 5.013 -14.176 79.046 1.00 0.00 H new ATOM 0 HA ASN A 29 7.350 -12.539 78.936 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.996 -13.210 76.550 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.532 -14.289 77.822 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.682 -14.120 74.970 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.999 -15.746 75.075 1.00 0.00 H new ATOM 454 N ARG A 30 4.513 -12.271 78.065 1.00 0.00 N ATOM 455 CA ARG A 30 3.438 -11.502 77.377 1.00 0.00 C ATOM 456 C ARG A 30 3.135 -10.212 78.141 1.00 0.00 C ATOM 457 O ARG A 30 2.716 -10.235 79.283 1.00 0.00 O ATOM 458 CB ARG A 30 2.170 -12.356 77.316 1.00 0.00 C ATOM 459 CG ARG A 30 2.524 -13.778 76.874 1.00 0.00 C ATOM 460 CD ARG A 30 1.243 -14.515 76.479 1.00 0.00 C ATOM 461 NE ARG A 30 1.529 -15.976 76.298 1.00 0.00 N ATOM 462 CZ ARG A 30 2.454 -16.389 75.476 1.00 0.00 C ATOM 463 NH1 ARG A 30 3.061 -15.542 74.692 1.00 0.00 N ATOM 464 NH2 ARG A 30 2.747 -17.659 75.411 1.00 0.00 N ATOM 0 H ARG A 30 4.236 -12.701 78.948 1.00 0.00 H new ATOM 0 HA ARG A 30 3.772 -11.250 76.370 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.688 -12.378 78.293 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.457 -11.916 76.619 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.215 -13.748 76.032 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.028 -14.308 77.682 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.482 -14.377 77.247 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.843 -14.097 75.555 1.00 0.00 H new ATOM 0 HE ARG A 30 0.990 -16.660 76.828 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.813 -14.553 74.720 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.784 -15.868 74.051 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.253 -18.327 76.002 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.470 -17.983 74.769 1.00 0.00 H new ATOM 478 N THR A 31 3.312 -9.092 77.505 1.00 0.00 N ATOM 479 CA THR A 31 3.003 -7.794 78.170 1.00 0.00 C ATOM 480 C THR A 31 1.543 -7.851 78.649 1.00 0.00 C ATOM 481 O THR A 31 0.636 -7.921 77.844 1.00 0.00 O ATOM 482 CB THR A 31 3.167 -6.667 77.130 1.00 0.00 C ATOM 483 OG1 THR A 31 3.687 -7.221 75.929 1.00 0.00 O ATOM 484 CG2 THR A 31 4.127 -5.581 77.635 1.00 0.00 C ATOM 0 H THR A 31 3.659 -9.016 76.549 1.00 0.00 H new ATOM 0 HA THR A 31 3.667 -7.609 79.014 1.00 0.00 H new ATOM 0 HB THR A 31 2.192 -6.212 76.956 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.793 -6.512 75.261 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.222 -4.800 76.880 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.736 -5.149 78.556 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.105 -6.021 77.827 1.00 0.00 H new ATOM 492 N LEU A 32 1.282 -7.840 79.937 1.00 0.00 N ATOM 493 CA LEU A 32 -0.147 -7.921 80.365 1.00 0.00 C ATOM 494 C LEU A 32 -0.869 -6.568 80.212 1.00 0.00 C ATOM 495 O LEU A 32 -1.921 -6.509 79.610 1.00 0.00 O ATOM 496 CB LEU A 32 -0.342 -8.520 81.790 1.00 0.00 C ATOM 497 CG LEU A 32 0.560 -7.927 82.901 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.049 -8.107 82.578 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.225 -6.447 83.164 1.00 0.00 C ATOM 0 H LEU A 32 1.972 -7.780 80.685 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.616 -8.629 79.682 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.383 -8.382 82.082 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.165 -9.594 81.739 1.00 0.00 H new ATOM 0 HG LEU A 32 0.354 -8.484 83.815 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.650 -7.679 83.380 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.275 -9.169 82.483 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.282 -7.601 81.641 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.875 -6.061 83.949 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.377 -5.872 82.251 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.815 -6.360 83.479 1.00 0.00 H new ATOM 511 N GLU A 33 -0.357 -5.484 80.737 1.00 0.00 N ATOM 512 CA GLU A 33 -1.086 -4.185 80.576 1.00 0.00 C ATOM 513 C GLU A 33 -0.662 -3.472 79.286 1.00 0.00 C ATOM 514 O GLU A 33 -1.312 -3.587 78.267 1.00 0.00 O ATOM 515 CB GLU A 33 -0.849 -3.274 81.778 1.00 0.00 C ATOM 516 CG GLU A 33 -1.929 -2.188 81.804 1.00 0.00 C ATOM 517 CD GLU A 33 -3.273 -2.803 82.205 1.00 0.00 C ATOM 518 OE1 GLU A 33 -3.262 -3.798 82.911 1.00 0.00 O ATOM 519 OE2 GLU A 33 -4.291 -2.267 81.798 1.00 0.00 O ATOM 0 H GLU A 33 0.517 -5.438 81.261 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.151 -4.411 80.514 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.876 -3.854 82.701 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.140 -2.820 81.716 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.653 -1.404 82.509 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.011 -1.720 80.823 1.00 0.00 H new ATOM 526 N GLY A 34 0.408 -2.712 79.316 1.00 0.00 N ATOM 527 CA GLY A 34 0.821 -1.986 78.077 1.00 0.00 C ATOM 528 C GLY A 34 2.343 -1.799 77.998 1.00 0.00 C ATOM 529 O GLY A 34 2.940 -2.019 76.960 1.00 0.00 O ATOM 0 H GLY A 34 1.003 -2.566 80.131 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.478 -2.538 77.202 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.334 -1.011 78.049 1.00 0.00 H new ATOM 533 N GLY A 35 2.978 -1.371 79.054 1.00 0.00 N ATOM 534 CA GLY A 35 4.459 -1.148 78.984 1.00 0.00 C ATOM 535 C GLY A 35 5.183 -1.780 80.180 1.00 0.00 C ATOM 536 O GLY A 35 6.006 -1.151 80.818 1.00 0.00 O ATOM 0 H GLY A 35 2.546 -1.167 79.955 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.848 -1.571 78.058 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.665 -0.078 78.957 1.00 0.00 H new ATOM 540 N ARG A 36 4.909 -3.019 80.479 1.00 0.00 N ATOM 541 CA ARG A 36 5.607 -3.686 81.617 1.00 0.00 C ATOM 542 C ARG A 36 5.381 -5.199 81.518 1.00 0.00 C ATOM 543 O ARG A 36 4.419 -5.652 80.936 1.00 0.00 O ATOM 544 CB ARG A 36 5.080 -3.152 82.961 1.00 0.00 C ATOM 545 CG ARG A 36 3.675 -2.569 82.788 1.00 0.00 C ATOM 546 CD ARG A 36 2.741 -3.650 82.250 1.00 0.00 C ATOM 547 NE ARG A 36 2.594 -3.503 80.775 1.00 0.00 N ATOM 548 CZ ARG A 36 2.205 -4.523 80.066 1.00 0.00 C ATOM 549 NH1 ARG A 36 2.047 -5.671 80.637 1.00 0.00 N ATOM 550 NH2 ARG A 36 2.007 -4.413 78.785 1.00 0.00 N ATOM 0 H ARG A 36 4.232 -3.600 79.985 1.00 0.00 H new ATOM 0 HA ARG A 36 6.674 -3.471 81.566 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.059 -3.956 83.696 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.754 -2.386 83.345 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.304 -2.195 83.742 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.702 -1.722 82.102 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.137 -4.637 82.488 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.766 -3.573 82.731 1.00 0.00 H new ATOM 0 HE ARG A 36 2.796 -2.611 80.324 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.227 -5.773 81.636 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.742 -6.476 80.089 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.157 -3.517 78.321 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.702 -5.223 78.245 1.00 0.00 H new ATOM 564 N LYS A 37 6.274 -5.982 82.063 1.00 0.00 N ATOM 565 CA LYS A 37 6.132 -7.471 81.978 1.00 0.00 C ATOM 566 C LYS A 37 5.704 -8.031 83.347 1.00 0.00 C ATOM 567 O LYS A 37 5.591 -7.286 84.300 1.00 0.00 O ATOM 568 CB LYS A 37 7.490 -8.075 81.561 1.00 0.00 C ATOM 569 CG LYS A 37 8.487 -6.956 81.216 1.00 0.00 C ATOM 570 CD LYS A 37 8.003 -6.173 79.983 1.00 0.00 C ATOM 571 CE LYS A 37 8.700 -6.696 78.725 1.00 0.00 C ATOM 572 NZ LYS A 37 10.174 -6.584 78.893 1.00 0.00 N ATOM 0 H LYS A 37 7.100 -5.656 82.566 1.00 0.00 H new ATOM 0 HA LYS A 37 5.372 -7.732 81.241 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.887 -8.689 82.370 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.356 -8.730 80.700 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.595 -6.281 82.065 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.471 -7.383 81.021 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.923 -6.274 79.879 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.213 -5.111 80.111 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.421 -7.735 78.547 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.378 -6.126 77.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.565 -5.983 78.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.387 -6.161 79.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.603 -7.530 78.838 1.00 0.00 H new ATOM 586 N PRO A 38 5.483 -9.332 83.417 1.00 0.00 N ATOM 587 CA PRO A 38 5.085 -9.978 84.678 1.00 0.00 C ATOM 588 C PRO A 38 6.340 -10.176 85.521 1.00 0.00 C ATOM 589 O PRO A 38 6.385 -10.970 86.437 1.00 0.00 O ATOM 590 CB PRO A 38 4.524 -11.341 84.246 1.00 0.00 C ATOM 591 CG PRO A 38 4.964 -11.569 82.776 1.00 0.00 C ATOM 592 CD PRO A 38 5.578 -10.249 82.266 1.00 0.00 C ATOM 0 HA PRO A 38 4.363 -9.404 85.259 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.903 -12.135 84.889 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.437 -11.354 84.330 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.691 -12.379 82.715 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.112 -11.858 82.161 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.613 -10.387 81.952 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.032 -9.864 81.405 1.00 0.00 H new ATOM 600 N LEU A 39 7.352 -9.422 85.213 1.00 0.00 N ATOM 601 CA LEU A 39 8.624 -9.493 85.970 1.00 0.00 C ATOM 602 C LEU A 39 8.834 -8.111 86.589 1.00 0.00 C ATOM 603 O LEU A 39 9.622 -7.915 87.492 1.00 0.00 O ATOM 604 CB LEU A 39 9.760 -9.848 84.998 1.00 0.00 C ATOM 605 CG LEU A 39 11.097 -10.079 85.733 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.874 -10.699 87.116 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.976 -11.029 84.907 1.00 0.00 C ATOM 0 H LEU A 39 7.349 -8.744 84.451 1.00 0.00 H new ATOM 0 HA LEU A 39 8.605 -10.254 86.750 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.493 -10.746 84.440 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.880 -9.045 84.271 1.00 0.00 H new ATOM 0 HG LEU A 39 11.584 -9.112 85.856 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.836 -10.849 87.607 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.259 -10.031 87.719 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.369 -11.659 87.007 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.921 -11.193 85.425 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.462 -11.982 84.779 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.170 -10.588 83.929 1.00 0.00 H new ATOM 619 N HIS A 40 8.089 -7.157 86.102 1.00 0.00 N ATOM 620 CA HIS A 40 8.170 -5.772 86.628 1.00 0.00 C ATOM 621 C HIS A 40 7.474 -5.732 87.987 1.00 0.00 C ATOM 622 O HIS A 40 8.008 -5.231 88.955 1.00 0.00 O ATOM 623 CB HIS A 40 7.447 -4.837 85.654 1.00 0.00 C ATOM 624 CG HIS A 40 7.372 -3.454 86.233 1.00 0.00 C ATOM 625 ND1 HIS A 40 6.687 -2.945 87.309 1.00 0.00 N flip ATOM 626 CD2 HIS A 40 8.068 -2.388 85.687 1.00 0.00 C flip ATOM 627 CE1 HIS A 40 6.953 -1.585 87.430 1.00 0.00 C flip ATOM 628 NE2 HIS A 40 7.790 -1.302 86.429 1.00 0.00 N flip ATOM 0 H HIS A 40 7.415 -7.286 85.347 1.00 0.00 H new ATOM 0 HA HIS A 40 9.208 -5.458 86.734 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.974 -4.813 84.700 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.443 -5.212 85.454 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.715 -2.423 84.823 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.566 -0.904 88.174 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.172 -0.374 86.249 1.00 0.00 H new ATOM 636 N TYR A 41 6.290 -6.283 88.068 1.00 0.00 N ATOM 637 CA TYR A 41 5.565 -6.304 89.370 1.00 0.00 C ATOM 638 C TYR A 41 6.280 -7.266 90.309 1.00 0.00 C ATOM 639 O TYR A 41 6.478 -6.996 91.476 1.00 0.00 O ATOM 640 CB TYR A 41 4.144 -6.830 89.174 1.00 0.00 C ATOM 641 CG TYR A 41 3.500 -6.169 87.989 1.00 0.00 C ATOM 642 CD1 TYR A 41 3.743 -6.650 86.698 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.650 -5.082 88.185 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.132 -6.040 85.601 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.040 -4.469 87.091 1.00 0.00 C ATOM 646 CZ TYR A 41 2.280 -4.947 85.798 1.00 0.00 C ATOM 647 OH TYR A 41 1.670 -4.344 84.722 1.00 0.00 O ATOM 0 H TYR A 41 5.796 -6.718 87.289 1.00 0.00 H new ATOM 0 HA TYR A 41 5.538 -5.292 89.775 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.166 -7.910 89.029 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.553 -6.641 90.070 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.403 -7.492 86.550 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.464 -4.715 89.183 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.316 -6.410 84.603 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.383 -3.626 87.242 1.00 0.00 H new ATOM 0 HH TYR A 41 1.112 -3.602 85.036 1.00 0.00 H new ATOM 657 N ALA A 42 6.659 -8.400 89.790 1.00 0.00 N ATOM 658 CA ALA A 42 7.348 -9.413 90.621 1.00 0.00 C ATOM 659 C ALA A 42 8.667 -8.838 91.100 1.00 0.00 C ATOM 660 O ALA A 42 8.967 -8.835 92.274 1.00 0.00 O ATOM 661 CB ALA A 42 7.624 -10.659 89.769 1.00 0.00 C ATOM 0 H ALA A 42 6.517 -8.666 88.816 1.00 0.00 H new ATOM 0 HA ALA A 42 6.725 -9.681 91.475 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.132 -11.409 90.375 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.681 -11.065 89.403 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.256 -10.389 88.923 1.00 0.00 H new ATOM 667 N ALA A 43 9.459 -8.350 90.199 1.00 0.00 N ATOM 668 CA ALA A 43 10.760 -7.778 90.608 1.00 0.00 C ATOM 669 C ALA A 43 10.506 -6.663 91.619 1.00 0.00 C ATOM 670 O ALA A 43 10.960 -6.711 92.745 1.00 0.00 O ATOM 671 CB ALA A 43 11.474 -7.201 89.380 1.00 0.00 C ATOM 0 H ALA A 43 9.263 -8.322 89.198 1.00 0.00 H new ATOM 0 HA ALA A 43 11.384 -8.552 91.054 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.433 -6.779 89.681 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.639 -7.993 88.650 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.858 -6.420 88.935 1.00 0.00 H new ATOM 677 N ASP A 44 9.781 -5.662 91.213 1.00 0.00 N ATOM 678 CA ASP A 44 9.487 -4.513 92.112 1.00 0.00 C ATOM 679 C ASP A 44 8.864 -4.963 93.439 1.00 0.00 C ATOM 680 O ASP A 44 9.158 -4.411 94.479 1.00 0.00 O ATOM 681 CB ASP A 44 8.518 -3.567 91.405 1.00 0.00 C ATOM 682 CG ASP A 44 8.441 -2.250 92.175 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.252 -2.302 93.379 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.575 -1.212 91.550 1.00 0.00 O ATOM 0 H ASP A 44 9.373 -5.589 90.281 1.00 0.00 H new ATOM 0 HA ASP A 44 10.430 -4.014 92.337 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.851 -3.385 90.383 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.530 -4.022 91.342 1.00 0.00 H new ATOM 689 N CYS A 45 7.995 -5.936 93.424 1.00 0.00 N ATOM 690 CA CYS A 45 7.353 -6.366 94.703 1.00 0.00 C ATOM 691 C CYS A 45 6.795 -7.774 94.550 1.00 0.00 C ATOM 692 O CYS A 45 5.599 -7.987 94.606 1.00 0.00 O ATOM 693 CB CYS A 45 6.186 -5.432 95.024 1.00 0.00 C ATOM 694 SG CYS A 45 6.756 -3.716 95.097 1.00 0.00 S ATOM 0 H CYS A 45 7.703 -6.449 92.592 1.00 0.00 H new ATOM 0 HA CYS A 45 8.099 -6.338 95.498 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.411 -5.533 94.264 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.737 -5.714 95.976 1.00 0.00 H new ATOM 0 HG CYS A 45 8.055 -3.688 95.053 1.00 0.00 H new ATOM 700 N GLY A 46 7.649 -8.736 94.359 1.00 0.00 N ATOM 701 CA GLY A 46 7.169 -10.140 94.204 1.00 0.00 C ATOM 702 C GLY A 46 7.612 -10.970 95.405 1.00 0.00 C ATOM 703 O GLY A 46 7.862 -12.153 95.289 1.00 0.00 O ATOM 0 H GLY A 46 8.660 -8.614 94.303 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.082 -10.156 94.120 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.566 -10.571 93.285 1.00 0.00 H new ATOM 707 N GLN A 47 7.744 -10.369 96.556 1.00 0.00 N ATOM 708 CA GLN A 47 8.207 -11.157 97.728 1.00 0.00 C ATOM 709 C GLN A 47 9.476 -11.897 97.304 1.00 0.00 C ATOM 710 O GLN A 47 9.947 -12.805 97.958 1.00 0.00 O ATOM 711 CB GLN A 47 7.119 -12.146 98.144 1.00 0.00 C ATOM 712 CG GLN A 47 6.055 -11.419 98.968 1.00 0.00 C ATOM 713 CD GLN A 47 5.661 -10.114 98.271 1.00 0.00 C ATOM 714 OE1 GLN A 47 4.884 -10.157 97.222 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 6.062 -9.045 98.686 1.00 0.00 N flip ATOM 0 H GLN A 47 7.554 -9.382 96.732 1.00 0.00 H new ATOM 0 HA GLN A 47 8.415 -10.511 98.581 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.665 -12.596 97.261 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.554 -12.957 98.727 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.179 -12.056 99.090 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.437 -11.208 99.967 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.669 -9.011 99.505 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.792 -8.181 98.215 1.00 0.00 H new ATOM 724 N LEU A 48 10.023 -11.468 96.198 1.00 0.00 N ATOM 725 CA LEU A 48 11.275 -12.056 95.647 1.00 0.00 C ATOM 726 C LEU A 48 11.091 -13.521 95.277 1.00 0.00 C ATOM 727 O LEU A 48 11.990 -14.167 94.779 1.00 0.00 O ATOM 728 CB LEU A 48 12.400 -11.906 96.658 1.00 0.00 C ATOM 729 CG LEU A 48 12.820 -10.425 96.788 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.103 -9.526 95.764 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.502 -9.922 98.200 1.00 0.00 C ATOM 0 H LEU A 48 9.638 -10.708 95.637 1.00 0.00 H new ATOM 0 HA LEU A 48 11.530 -11.516 94.735 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.078 -12.285 97.628 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.256 -12.507 96.350 1.00 0.00 H new ATOM 0 HG LEU A 48 13.891 -10.372 96.593 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.430 -8.494 95.894 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.345 -9.859 94.755 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.026 -9.587 95.918 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.799 -8.877 98.290 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.432 -10.012 98.386 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.049 -10.518 98.930 1.00 0.00 H new ATOM 743 N GLU A 49 9.938 -14.049 95.489 1.00 0.00 N ATOM 744 CA GLU A 49 9.698 -15.464 95.110 1.00 0.00 C ATOM 745 C GLU A 49 9.062 -15.510 93.718 1.00 0.00 C ATOM 746 O GLU A 49 9.321 -16.393 92.923 1.00 0.00 O ATOM 747 CB GLU A 49 8.752 -16.120 96.116 1.00 0.00 C ATOM 748 CG GLU A 49 7.688 -15.111 96.551 1.00 0.00 C ATOM 749 CD GLU A 49 6.621 -15.819 97.389 1.00 0.00 C ATOM 750 OE1 GLU A 49 6.993 -16.532 98.306 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.450 -15.637 97.098 1.00 0.00 O ATOM 0 H GLU A 49 9.143 -13.568 95.909 1.00 0.00 H new ATOM 0 HA GLU A 49 10.646 -16.001 95.105 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.278 -16.994 95.669 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.312 -16.470 96.983 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.147 -14.310 97.130 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.231 -14.650 95.676 1.00 0.00 H new ATOM 758 N ILE A 50 8.207 -14.574 93.440 1.00 0.00 N ATOM 759 CA ILE A 50 7.506 -14.548 92.131 1.00 0.00 C ATOM 760 C ILE A 50 8.480 -14.323 90.974 1.00 0.00 C ATOM 761 O ILE A 50 8.422 -14.998 89.971 1.00 0.00 O ATOM 762 CB ILE A 50 6.478 -13.417 92.156 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.550 -13.608 93.375 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.673 -13.415 90.848 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.077 -13.548 92.959 1.00 0.00 C ATOM 0 H ILE A 50 7.959 -13.814 94.073 1.00 0.00 H new ATOM 0 HA ILE A 50 7.022 -15.512 91.975 1.00 0.00 H new ATOM 0 HB ILE A 50 6.983 -12.455 92.243 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.759 -14.567 93.849 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.754 -12.835 94.116 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.942 -12.607 90.872 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.349 -13.269 90.005 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.156 -14.368 90.737 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.445 -13.685 93.837 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.866 -12.579 92.508 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.871 -14.337 92.236 1.00 0.00 H new ATOM 777 N LEU A 51 9.350 -13.371 91.080 1.00 0.00 N ATOM 778 CA LEU A 51 10.270 -13.116 89.947 1.00 0.00 C ATOM 779 C LEU A 51 10.951 -14.419 89.523 1.00 0.00 C ATOM 780 O LEU A 51 10.941 -14.783 88.369 1.00 0.00 O ATOM 781 CB LEU A 51 11.343 -12.049 90.265 1.00 0.00 C ATOM 782 CG LEU A 51 11.540 -11.768 91.767 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.258 -11.258 92.435 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.046 -13.027 92.465 1.00 0.00 C ATOM 0 H LEU A 51 9.466 -12.763 91.891 1.00 0.00 H new ATOM 0 HA LEU A 51 9.661 -12.724 89.132 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.294 -12.371 89.841 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.071 -11.118 89.767 1.00 0.00 H new ATOM 0 HG LEU A 51 12.283 -10.976 91.863 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.447 -11.074 93.493 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.942 -10.331 91.956 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.472 -12.006 92.332 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.184 -12.824 93.527 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.319 -13.829 92.341 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.997 -13.329 92.027 1.00 0.00 H new ATOM 796 N GLU A 52 11.551 -15.116 90.442 1.00 0.00 N ATOM 797 CA GLU A 52 12.244 -16.386 90.091 1.00 0.00 C ATOM 798 C GLU A 52 11.278 -17.358 89.400 1.00 0.00 C ATOM 799 O GLU A 52 11.679 -18.171 88.594 1.00 0.00 O ATOM 800 CB GLU A 52 12.763 -17.056 91.368 1.00 0.00 C ATOM 801 CG GLU A 52 13.966 -16.288 91.933 1.00 0.00 C ATOM 802 CD GLU A 52 14.853 -17.251 92.729 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.390 -17.749 93.742 1.00 0.00 O ATOM 804 OE2 GLU A 52 15.977 -17.479 92.311 1.00 0.00 O ATOM 0 H GLU A 52 11.592 -14.860 91.429 1.00 0.00 H new ATOM 0 HA GLU A 52 13.068 -16.149 89.417 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.968 -17.096 92.113 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.050 -18.085 91.154 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.537 -15.836 91.122 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.625 -15.475 92.574 1.00 0.00 H new ATOM 811 N PHE A 53 10.022 -17.309 89.747 1.00 0.00 N ATOM 812 CA PHE A 53 9.034 -18.258 89.160 1.00 0.00 C ATOM 813 C PHE A 53 8.890 -18.076 87.651 1.00 0.00 C ATOM 814 O PHE A 53 9.462 -18.803 86.873 1.00 0.00 O ATOM 815 CB PHE A 53 7.674 -18.030 89.808 1.00 0.00 C ATOM 816 CG PHE A 53 6.668 -18.966 89.186 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.843 -20.349 89.298 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.567 -18.452 88.491 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.916 -21.221 88.716 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.640 -19.324 87.909 1.00 0.00 C ATOM 821 CZ PHE A 53 4.815 -20.709 88.022 1.00 0.00 C ATOM 0 H PHE A 53 9.634 -16.646 90.418 1.00 0.00 H new ATOM 0 HA PHE A 53 9.396 -19.269 89.349 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.735 -18.204 90.882 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.360 -16.995 89.670 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.694 -20.744 89.834 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.433 -17.384 88.404 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.051 -22.289 88.803 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.790 -18.929 87.373 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.099 -21.382 87.573 1.00 0.00 H new ATOM 831 N LEU A 54 8.087 -17.151 87.226 1.00 0.00 N ATOM 832 CA LEU A 54 7.879 -16.980 85.768 1.00 0.00 C ATOM 833 C LEU A 54 9.219 -16.826 85.046 1.00 0.00 C ATOM 834 O LEU A 54 9.272 -16.710 83.837 1.00 0.00 O ATOM 835 CB LEU A 54 6.948 -15.784 85.509 1.00 0.00 C ATOM 836 CG LEU A 54 7.593 -14.418 85.833 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.508 -14.513 87.050 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.386 -13.893 84.627 1.00 0.00 C ATOM 0 H LEU A 54 7.567 -16.507 87.822 1.00 0.00 H new ATOM 0 HA LEU A 54 7.399 -17.872 85.367 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.641 -15.793 84.463 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.044 -15.901 86.107 1.00 0.00 H new ATOM 0 HG LEU A 54 6.787 -13.720 86.061 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.947 -13.536 87.253 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.930 -14.838 87.915 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.302 -15.233 86.853 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.832 -12.930 84.876 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.173 -14.603 84.372 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.716 -13.773 83.775 1.00 0.00 H new ATOM 850 N LEU A 55 10.309 -16.848 85.772 1.00 0.00 N ATOM 851 CA LEU A 55 11.641 -16.723 85.121 1.00 0.00 C ATOM 852 C LEU A 55 12.224 -18.118 84.885 1.00 0.00 C ATOM 853 O LEU A 55 12.768 -18.400 83.836 1.00 0.00 O ATOM 854 CB LEU A 55 12.577 -15.916 86.026 1.00 0.00 C ATOM 855 CG LEU A 55 13.734 -15.335 85.205 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.535 -14.369 86.082 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.655 -16.459 84.710 1.00 0.00 C ATOM 0 H LEU A 55 10.330 -16.947 86.787 1.00 0.00 H new ATOM 0 HA LEU A 55 11.535 -16.210 84.165 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.023 -15.111 86.509 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.968 -16.554 86.819 1.00 0.00 H new ATOM 0 HG LEU A 55 13.329 -14.807 84.341 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.360 -13.952 85.504 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.885 -13.562 86.422 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.931 -14.904 86.945 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.472 -16.031 84.129 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.062 -16.999 85.565 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.086 -17.147 84.084 1.00 0.00 H new ATOM 869 N LEU A 56 12.113 -19.003 85.844 1.00 0.00 N ATOM 870 CA LEU A 56 12.670 -20.371 85.631 1.00 0.00 C ATOM 871 C LEU A 56 11.945 -21.015 84.456 1.00 0.00 C ATOM 872 O LEU A 56 12.486 -21.850 83.760 1.00 0.00 O ATOM 873 CB LEU A 56 12.561 -21.249 86.894 1.00 0.00 C ATOM 874 CG LEU A 56 11.188 -21.107 87.561 1.00 0.00 C ATOM 875 CD1 LEU A 56 10.104 -21.799 86.722 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.239 -21.744 88.956 1.00 0.00 C ATOM 0 H LEU A 56 11.669 -18.841 86.748 1.00 0.00 H new ATOM 0 HA LEU A 56 13.734 -20.284 85.411 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.731 -22.292 86.629 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.341 -20.968 87.602 1.00 0.00 H new ATOM 0 HG LEU A 56 10.942 -20.048 87.641 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.137 -21.687 87.213 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.064 -21.344 85.732 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.340 -22.859 86.625 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.265 -21.647 89.436 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.495 -22.800 88.865 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.993 -21.239 89.559 1.00 0.00 H new ATOM 888 N LYS A 57 10.738 -20.597 84.197 1.00 0.00 N ATOM 889 CA LYS A 57 10.002 -21.144 83.029 1.00 0.00 C ATOM 890 C LYS A 57 10.655 -20.524 81.795 1.00 0.00 C ATOM 891 O LYS A 57 11.761 -20.872 81.432 1.00 0.00 O ATOM 892 CB LYS A 57 8.527 -20.731 83.120 1.00 0.00 C ATOM 893 CG LYS A 57 7.730 -21.329 81.953 1.00 0.00 C ATOM 894 CD LYS A 57 7.302 -22.764 82.292 1.00 0.00 C ATOM 895 CE LYS A 57 6.219 -22.750 83.382 1.00 0.00 C ATOM 896 NZ LYS A 57 4.971 -23.368 82.850 1.00 0.00 N ATOM 0 H LYS A 57 10.231 -19.901 84.744 1.00 0.00 H new ATOM 0 HA LYS A 57 10.042 -22.233 82.989 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.106 -21.069 84.067 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.446 -19.644 83.105 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.851 -20.717 81.750 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.337 -21.326 81.048 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.923 -23.259 81.398 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.164 -23.338 82.633 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.564 -23.298 84.259 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.023 -21.727 83.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.196 -23.223 83.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.724 -22.925 81.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.121 -24.387 82.709 1.00 0.00 H new ATOM 910 N GLY A 58 10.020 -19.566 81.183 1.00 0.00 N ATOM 911 CA GLY A 58 10.661 -18.891 80.026 1.00 0.00 C ATOM 912 C GLY A 58 11.762 -17.986 80.597 1.00 0.00 C ATOM 913 O GLY A 58 12.578 -18.430 81.379 1.00 0.00 O ATOM 0 H GLY A 58 9.092 -19.224 81.432 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.081 -19.622 79.335 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.931 -18.306 79.466 1.00 0.00 H new ATOM 917 N ALA A 59 11.781 -16.720 80.257 1.00 0.00 N ATOM 918 CA ALA A 59 12.826 -15.822 80.839 1.00 0.00 C ATOM 919 C ALA A 59 12.747 -14.412 80.247 1.00 0.00 C ATOM 920 O ALA A 59 13.561 -14.025 79.437 1.00 0.00 O ATOM 921 CB ALA A 59 14.219 -16.408 80.593 1.00 0.00 C ATOM 0 H ALA A 59 11.129 -16.275 79.611 1.00 0.00 H new ATOM 0 HA ALA A 59 12.643 -15.751 81.911 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.973 -15.747 81.021 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.289 -17.389 81.062 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.388 -16.506 79.521 1.00 0.00 H new ATOM 927 N ASP A 60 11.795 -13.630 80.693 1.00 0.00 N ATOM 928 CA ASP A 60 11.683 -12.224 80.212 1.00 0.00 C ATOM 929 C ASP A 60 12.795 -11.431 80.891 1.00 0.00 C ATOM 930 O ASP A 60 12.893 -10.226 80.780 1.00 0.00 O ATOM 931 CB ASP A 60 10.313 -11.649 80.597 1.00 0.00 C ATOM 932 CG ASP A 60 10.168 -10.230 80.038 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.680 -9.314 80.659 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.540 -10.083 79.001 1.00 0.00 O ATOM 0 H ASP A 60 11.088 -13.910 81.373 1.00 0.00 H new ATOM 0 HA ASP A 60 11.777 -12.172 79.127 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.519 -12.286 80.207 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.207 -11.635 81.682 1.00 0.00 H new ATOM 939 N ILE A 61 13.630 -12.134 81.604 1.00 0.00 N ATOM 940 CA ILE A 61 14.766 -11.504 82.331 1.00 0.00 C ATOM 941 C ILE A 61 15.600 -10.644 81.381 1.00 0.00 C ATOM 942 O ILE A 61 16.339 -9.776 81.803 1.00 0.00 O ATOM 943 CB ILE A 61 15.642 -12.631 82.884 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.724 -12.064 83.805 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.311 -13.368 81.719 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.763 -13.155 84.107 1.00 0.00 C ATOM 0 H ILE A 61 13.570 -13.146 81.715 1.00 0.00 H new ATOM 0 HA ILE A 61 14.387 -10.867 83.130 1.00 0.00 H new ATOM 0 HB ILE A 61 15.015 -13.317 83.454 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.206 -11.208 83.333 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.276 -11.706 84.732 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.936 -14.172 82.108 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.545 -13.787 81.066 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.928 -12.670 81.153 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.534 -12.751 84.763 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.274 -13.997 84.597 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.219 -13.491 83.176 1.00 0.00 H new ATOM 958 N ASN A 62 15.510 -10.893 80.104 1.00 0.00 N ATOM 959 CA ASN A 62 16.327 -10.108 79.131 1.00 0.00 C ATOM 960 C ASN A 62 15.506 -9.794 77.874 1.00 0.00 C ATOM 961 O ASN A 62 15.581 -8.713 77.322 1.00 0.00 O ATOM 962 CB ASN A 62 17.546 -10.941 78.735 1.00 0.00 C ATOM 963 CG ASN A 62 17.076 -12.255 78.107 1.00 0.00 C ATOM 964 OD1 ASN A 62 16.044 -12.877 78.614 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.653 -12.721 77.144 1.00 0.00 N flip ATOM 0 H ASN A 62 14.908 -11.605 79.691 1.00 0.00 H new ATOM 0 HA ASN A 62 16.635 -9.170 79.593 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.165 -10.388 78.029 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.163 -11.143 79.610 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.458 -12.236 76.748 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.332 -13.597 76.732 1.00 0.00 H new ATOM 972 N ALA A 63 14.721 -10.746 77.436 1.00 0.00 N ATOM 973 CA ALA A 63 13.852 -10.578 76.224 1.00 0.00 C ATOM 974 C ALA A 63 13.545 -9.097 75.913 1.00 0.00 C ATOM 975 O ALA A 63 13.703 -8.678 74.784 1.00 0.00 O ATOM 976 CB ALA A 63 12.537 -11.331 76.455 1.00 0.00 C ATOM 0 H ALA A 63 14.643 -11.661 77.880 1.00 0.00 H new ATOM 0 HA ALA A 63 14.393 -10.981 75.367 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.895 -11.218 75.582 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.747 -12.388 76.617 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.033 -10.923 77.331 1.00 0.00 H new ATOM 982 N PRO A 64 13.113 -8.346 76.905 1.00 0.00 N ATOM 983 CA PRO A 64 12.768 -6.925 76.749 1.00 0.00 C ATOM 984 C PRO A 64 13.387 -6.266 75.507 1.00 0.00 C ATOM 985 O PRO A 64 14.551 -6.421 75.194 1.00 0.00 O ATOM 986 CB PRO A 64 13.259 -6.332 78.072 1.00 0.00 C ATOM 987 CG PRO A 64 13.214 -7.504 79.101 1.00 0.00 C ATOM 988 CD PRO A 64 12.941 -8.795 78.299 1.00 0.00 C ATOM 0 HA PRO A 64 11.706 -6.759 76.570 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.270 -5.936 77.973 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.623 -5.506 78.391 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.157 -7.578 79.643 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.432 -7.337 79.842 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.640 -9.590 78.559 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.938 -9.181 78.480 1.00 0.00 H new ATOM 996 N ASP A 65 12.564 -5.529 74.803 1.00 0.00 N ATOM 997 CA ASP A 65 12.991 -4.822 73.564 1.00 0.00 C ATOM 998 C ASP A 65 12.258 -3.476 73.509 1.00 0.00 C ATOM 999 O ASP A 65 12.783 -2.478 73.055 1.00 0.00 O ATOM 1000 CB ASP A 65 12.578 -5.656 72.347 1.00 0.00 C ATOM 1001 CG ASP A 65 13.586 -6.785 72.113 1.00 0.00 C ATOM 1002 OD1 ASP A 65 14.551 -6.553 71.402 1.00 0.00 O ATOM 1003 OD2 ASP A 65 13.370 -7.863 72.638 1.00 0.00 O ATOM 0 H ASP A 65 11.584 -5.386 75.047 1.00 0.00 H new ATOM 0 HA ASP A 65 14.071 -4.674 73.562 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.583 -6.073 72.504 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.521 -5.020 71.463 1.00 0.00 H new ATOM 1008 N LYS A 66 11.035 -3.463 73.965 1.00 0.00 N ATOM 1009 CA LYS A 66 10.222 -2.218 73.953 1.00 0.00 C ATOM 1010 C LYS A 66 10.564 -1.366 75.171 1.00 0.00 C ATOM 1011 O LYS A 66 10.607 -0.154 75.110 1.00 0.00 O ATOM 1012 CB LYS A 66 8.748 -2.603 74.020 1.00 0.00 C ATOM 1013 CG LYS A 66 7.891 -1.432 73.545 1.00 0.00 C ATOM 1014 CD LYS A 66 7.835 -0.336 74.624 1.00 0.00 C ATOM 1015 CE LYS A 66 6.474 0.361 74.588 1.00 0.00 C ATOM 1016 NZ LYS A 66 5.445 -0.530 75.192 1.00 0.00 N ATOM 0 H LYS A 66 10.559 -4.278 74.352 1.00 0.00 H new ATOM 0 HA LYS A 66 10.431 -1.651 73.046 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.562 -3.479 73.398 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.478 -2.874 75.041 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.303 -1.022 72.623 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.883 -1.779 73.318 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.003 -0.773 75.608 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.630 0.391 74.458 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.521 1.303 75.134 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.204 0.602 73.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.628 0.038 75.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.137 -1.232 74.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.850 -1.020 76.015 1.00 0.00 H new ATOM 1030 N HIS A 67 10.811 -1.996 76.272 1.00 0.00 N ATOM 1031 CA HIS A 67 11.153 -1.240 77.500 1.00 0.00 C ATOM 1032 C HIS A 67 12.605 -0.791 77.395 1.00 0.00 C ATOM 1033 O HIS A 67 13.114 -0.094 78.249 1.00 0.00 O ATOM 1034 CB HIS A 67 10.992 -2.164 78.716 1.00 0.00 C ATOM 1035 CG HIS A 67 10.143 -1.510 79.770 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.945 -0.196 80.116 1.00 0.00 N flip ATOM 1037 CD2 HIS A 67 9.351 -2.253 80.626 1.00 0.00 C flip ATOM 1038 CE1 HIS A 67 9.038 -0.124 81.169 1.00 0.00 C flip ATOM 1039 NE2 HIS A 67 8.713 -1.393 81.437 1.00 0.00 N flip ATOM 0 H HIS A 67 10.791 -3.010 76.379 1.00 0.00 H new ATOM 0 HA HIS A 67 10.499 -0.375 77.612 1.00 0.00 H new ATOM 0 HB2 HIS A 67 10.536 -3.105 78.407 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.972 -2.405 79.129 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.262 -3.329 80.640 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.675 0.765 81.663 1.00 0.00 H new ATOM 0 HE2 HIS A 67 8.060 -1.674 82.168 1.00 0.00 H new ATOM 1047 N HIS A 68 13.279 -1.204 76.357 1.00 0.00 N ATOM 1048 CA HIS A 68 14.705 -0.822 76.208 1.00 0.00 C ATOM 1049 C HIS A 68 15.391 -1.032 77.549 1.00 0.00 C ATOM 1050 O HIS A 68 16.392 -0.413 77.854 1.00 0.00 O ATOM 1051 CB HIS A 68 14.808 0.654 75.824 1.00 0.00 C ATOM 1052 CG HIS A 68 16.256 1.027 75.641 1.00 0.00 C ATOM 1053 ND1 HIS A 68 17.263 0.079 75.517 1.00 0.00 N ATOM 1054 CD2 HIS A 68 16.878 2.246 75.553 1.00 0.00 C ATOM 1055 CE1 HIS A 68 18.426 0.742 75.361 1.00 0.00 C ATOM 1056 NE2 HIS A 68 18.246 2.065 75.376 1.00 0.00 N ATOM 0 H HIS A 68 12.903 -1.787 75.610 1.00 0.00 H new ATOM 0 HA HIS A 68 15.175 -1.427 75.432 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.255 0.841 74.904 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.357 1.274 76.598 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.381 3.203 75.612 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.386 0.262 75.239 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.959 2.788 75.279 1.00 0.00 H new ATOM 1064 N ILE A 69 14.844 -1.883 78.377 1.00 0.00 N ATOM 1065 CA ILE A 69 15.460 -2.091 79.706 1.00 0.00 C ATOM 1066 C ILE A 69 15.273 -3.523 80.181 1.00 0.00 C ATOM 1067 O ILE A 69 14.387 -4.246 79.776 1.00 0.00 O ATOM 1068 CB ILE A 69 14.804 -1.147 80.725 1.00 0.00 C ATOM 1069 CG1 ILE A 69 15.893 -0.359 81.473 1.00 0.00 C ATOM 1070 CG2 ILE A 69 13.941 -1.945 81.722 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.790 -1.306 82.276 1.00 0.00 C ATOM 0 H ILE A 69 14.007 -2.434 78.188 1.00 0.00 H new ATOM 0 HA ILE A 69 16.527 -1.885 79.620 1.00 0.00 H new ATOM 0 HB ILE A 69 14.156 -0.448 80.196 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.496 0.204 80.761 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.430 0.366 82.142 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.484 -1.261 82.437 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.160 -2.479 81.181 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.568 -2.660 82.255 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.554 -0.729 82.798 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.187 -1.850 83.003 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.269 -2.014 81.600 1.00 0.00 H new ATOM 1083 N THR A 70 16.118 -3.895 81.079 1.00 0.00 N ATOM 1084 CA THR A 70 16.095 -5.236 81.690 1.00 0.00 C ATOM 1085 C THR A 70 15.492 -5.082 83.111 1.00 0.00 C ATOM 1086 O THR A 70 15.801 -4.124 83.778 1.00 0.00 O ATOM 1087 CB THR A 70 17.556 -5.672 81.728 1.00 0.00 C ATOM 1088 OG1 THR A 70 18.132 -5.252 82.948 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.307 -4.977 80.588 1.00 0.00 C ATOM 0 H THR A 70 16.862 -3.293 81.433 1.00 0.00 H new ATOM 0 HA THR A 70 15.499 -5.974 81.153 1.00 0.00 H new ATOM 0 HB THR A 70 17.619 -6.756 81.629 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.105 -5.189 82.846 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.354 -5.280 80.604 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.862 -5.259 79.634 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.240 -3.896 80.714 1.00 0.00 H new ATOM 1097 N PRO A 71 14.616 -5.987 83.529 1.00 0.00 N ATOM 1098 CA PRO A 71 13.949 -5.885 84.856 1.00 0.00 C ATOM 1099 C PRO A 71 14.938 -5.911 86.039 1.00 0.00 C ATOM 1100 O PRO A 71 14.606 -5.471 87.121 1.00 0.00 O ATOM 1101 CB PRO A 71 13.006 -7.097 84.911 1.00 0.00 C ATOM 1102 CG PRO A 71 12.988 -7.726 83.495 1.00 0.00 C ATOM 1103 CD PRO A 71 14.206 -7.160 82.738 1.00 0.00 C ATOM 0 HA PRO A 71 13.430 -4.931 84.953 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.352 -7.821 85.649 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.003 -6.791 85.209 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.041 -8.813 83.555 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.062 -7.480 82.975 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.009 -7.894 82.671 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.945 -6.880 81.718 1.00 0.00 H new ATOM 1111 N LEU A 72 16.137 -6.405 85.869 1.00 0.00 N ATOM 1112 CA LEU A 72 17.072 -6.415 87.027 1.00 0.00 C ATOM 1113 C LEU A 72 17.206 -4.991 87.564 1.00 0.00 C ATOM 1114 O LEU A 72 17.242 -4.772 88.761 1.00 0.00 O ATOM 1115 CB LEU A 72 18.475 -6.940 86.643 1.00 0.00 C ATOM 1116 CG LEU A 72 18.452 -7.991 85.504 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.165 -8.827 85.522 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.591 -7.294 84.152 1.00 0.00 C ATOM 0 H LEU A 72 16.501 -6.793 84.999 1.00 0.00 H new ATOM 0 HA LEU A 72 16.662 -7.086 87.782 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.098 -6.099 86.338 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.943 -7.380 87.523 1.00 0.00 H new ATOM 0 HG LEU A 72 19.292 -8.667 85.663 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.190 -9.551 84.708 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.086 -9.353 86.473 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.303 -8.171 85.398 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.574 -8.038 83.356 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.764 -6.597 84.015 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.534 -6.749 84.119 1.00 0.00 H new ATOM 1130 N LEU A 73 17.272 -4.021 86.697 1.00 0.00 N ATOM 1131 CA LEU A 73 17.390 -2.623 87.174 1.00 0.00 C ATOM 1132 C LEU A 73 16.063 -2.212 87.814 1.00 0.00 C ATOM 1133 O LEU A 73 16.009 -1.318 88.627 1.00 0.00 O ATOM 1134 CB LEU A 73 17.737 -1.690 86.002 1.00 0.00 C ATOM 1135 CG LEU A 73 19.085 -2.107 85.382 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.878 -3.234 84.359 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.736 -0.898 84.690 1.00 0.00 C ATOM 0 H LEU A 73 17.249 -4.138 85.684 1.00 0.00 H new ATOM 0 HA LEU A 73 18.189 -2.548 87.911 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.951 -1.732 85.248 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.790 -0.658 86.350 1.00 0.00 H new ATOM 0 HG LEU A 73 19.738 -2.467 86.177 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.839 -3.517 83.930 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.433 -4.097 84.854 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.215 -2.888 83.566 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.689 -1.198 84.253 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.076 -0.530 83.904 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.905 -0.108 85.421 1.00 0.00 H new ATOM 1149 N SER A 74 14.991 -2.874 87.469 1.00 0.00 N ATOM 1150 CA SER A 74 13.679 -2.532 88.078 1.00 0.00 C ATOM 1151 C SER A 74 13.780 -2.677 89.596 1.00 0.00 C ATOM 1152 O SER A 74 13.374 -1.810 90.349 1.00 0.00 O ATOM 1153 CB SER A 74 12.602 -3.474 87.537 1.00 0.00 C ATOM 1154 OG SER A 74 11.323 -3.019 87.959 1.00 0.00 O ATOM 0 H SER A 74 14.970 -3.636 86.792 1.00 0.00 H new ATOM 0 HA SER A 74 13.412 -1.505 87.827 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.647 -3.509 86.448 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.776 -4.488 87.896 1.00 0.00 H new ATOM 0 HG SER A 74 10.631 -3.620 87.612 1.00 0.00 H new ATOM 1160 N ALA A 75 14.338 -3.765 90.047 1.00 0.00 N ATOM 1161 CA ALA A 75 14.490 -3.973 91.516 1.00 0.00 C ATOM 1162 C ALA A 75 15.542 -3.007 92.046 1.00 0.00 C ATOM 1163 O ALA A 75 15.436 -2.492 93.140 1.00 0.00 O ATOM 1164 CB ALA A 75 14.939 -5.407 91.787 1.00 0.00 C ATOM 0 H ALA A 75 14.696 -4.520 89.463 1.00 0.00 H new ATOM 0 HA ALA A 75 13.536 -3.794 92.013 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.049 -5.557 92.861 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.194 -6.101 91.399 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.895 -5.588 91.295 1.00 0.00 H new ATOM 1170 N VAL A 76 16.557 -2.755 91.274 1.00 0.00 N ATOM 1171 CA VAL A 76 17.626 -1.820 91.722 1.00 0.00 C ATOM 1172 C VAL A 76 16.985 -0.594 92.394 1.00 0.00 C ATOM 1173 O VAL A 76 17.154 -0.376 93.575 1.00 0.00 O ATOM 1174 CB VAL A 76 18.459 -1.412 90.497 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.297 -0.151 90.774 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.385 -2.577 90.118 1.00 0.00 C ATOM 0 H VAL A 76 16.695 -3.157 90.347 1.00 0.00 H new ATOM 0 HA VAL A 76 18.279 -2.299 92.451 1.00 0.00 H new ATOM 0 HB VAL A 76 17.779 -1.182 89.677 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.872 0.106 89.885 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.635 0.677 91.030 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.978 -0.341 91.604 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.982 -2.300 89.249 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.046 -2.804 90.955 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.786 -3.456 89.881 1.00 0.00 H new ATOM 1186 N TYR A 77 16.240 0.197 91.664 1.00 0.00 N ATOM 1187 CA TYR A 77 15.586 1.387 92.292 1.00 0.00 C ATOM 1188 C TYR A 77 14.393 0.910 93.127 1.00 0.00 C ATOM 1189 O TYR A 77 13.296 1.427 93.013 1.00 0.00 O ATOM 1190 CB TYR A 77 15.094 2.353 91.203 1.00 0.00 C ATOM 1191 CG TYR A 77 15.910 2.183 89.948 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.064 2.947 89.755 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.499 1.272 88.970 1.00 0.00 C ATOM 1194 CE1 TYR A 77 17.812 2.798 88.581 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.244 1.124 87.796 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.401 1.888 87.602 1.00 0.00 C ATOM 1197 OH TYR A 77 18.138 1.748 86.446 1.00 0.00 O ATOM 0 H TYR A 77 16.057 0.073 90.668 1.00 0.00 H new ATOM 0 HA TYR A 77 16.305 1.906 92.926 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.042 2.166 90.989 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.169 3.381 91.558 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.379 3.652 90.511 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.607 0.683 89.121 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.706 3.385 88.432 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.927 0.421 87.040 1.00 0.00 H new ATOM 0 HH TYR A 77 17.543 1.809 85.669 1.00 0.00 H new ATOM 1207 N GLU A 78 14.587 -0.087 93.949 1.00 0.00 N ATOM 1208 CA GLU A 78 13.449 -0.606 94.767 1.00 0.00 C ATOM 1209 C GLU A 78 13.879 -0.813 96.219 1.00 0.00 C ATOM 1210 O GLU A 78 13.074 -0.748 97.129 1.00 0.00 O ATOM 1211 CB GLU A 78 12.994 -1.947 94.189 1.00 0.00 C ATOM 1212 CG GLU A 78 11.558 -2.217 94.621 1.00 0.00 C ATOM 1213 CD GLU A 78 10.620 -1.356 93.780 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.810 -1.317 92.575 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.733 -0.746 94.352 1.00 0.00 O ATOM 0 H GLU A 78 15.478 -0.563 94.090 1.00 0.00 H new ATOM 0 HA GLU A 78 12.636 0.119 94.740 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.062 -1.930 93.101 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.648 -2.747 94.537 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.318 -3.272 94.493 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.433 -1.988 95.679 1.00 0.00 H new ATOM 1222 N GLY A 79 15.127 -1.090 96.450 1.00 0.00 N ATOM 1223 CA GLY A 79 15.574 -1.328 97.845 1.00 0.00 C ATOM 1224 C GLY A 79 15.363 -2.802 98.154 1.00 0.00 C ATOM 1225 O GLY A 79 15.697 -3.289 99.218 1.00 0.00 O ATOM 0 H GLY A 79 15.854 -1.162 95.738 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.624 -1.060 97.961 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.008 -0.707 98.539 1.00 0.00 H new ATOM 1229 N HIS A 80 14.822 -3.521 97.209 1.00 0.00 N ATOM 1230 CA HIS A 80 14.601 -4.969 97.415 1.00 0.00 C ATOM 1231 C HIS A 80 15.942 -5.660 97.201 1.00 0.00 C ATOM 1232 O HIS A 80 16.441 -6.354 98.063 1.00 0.00 O ATOM 1233 CB HIS A 80 13.576 -5.475 96.392 1.00 0.00 C ATOM 1234 CG HIS A 80 12.190 -5.365 96.966 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.323 -6.445 97.030 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.502 -4.303 97.496 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.174 -6.011 97.577 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.228 -4.713 97.882 1.00 0.00 N ATOM 0 H HIS A 80 14.525 -3.161 96.302 1.00 0.00 H new ATOM 0 HA HIS A 80 14.219 -5.176 98.415 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.647 -4.893 95.473 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.790 -6.511 96.130 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.890 -3.300 97.598 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.311 -6.637 97.749 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.495 -4.144 98.306 1.00 0.00 H new ATOM 1246 N VAL A 81 16.540 -5.447 96.056 1.00 0.00 N ATOM 1247 CA VAL A 81 17.871 -6.056 95.758 1.00 0.00 C ATOM 1248 C VAL A 81 17.973 -7.471 96.331 1.00 0.00 C ATOM 1249 O VAL A 81 19.011 -8.099 96.279 1.00 0.00 O ATOM 1250 CB VAL A 81 18.991 -5.153 96.296 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.326 -4.092 95.243 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.525 -4.431 97.569 1.00 0.00 C ATOM 0 H VAL A 81 16.158 -4.870 95.307 1.00 0.00 H new ATOM 0 HA VAL A 81 17.982 -6.139 94.677 1.00 0.00 H new ATOM 0 HB VAL A 81 19.862 -5.768 96.520 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.121 -3.446 95.617 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.657 -4.581 94.327 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.439 -3.493 95.035 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.328 -3.794 97.941 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.652 -3.819 97.341 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.264 -5.167 98.330 1.00 0.00 H new ATOM 1262 N SER A 82 16.894 -8.007 96.815 1.00 0.00 N ATOM 1263 CA SER A 82 16.927 -9.406 97.303 1.00 0.00 C ATOM 1264 C SER A 82 16.768 -10.285 96.062 1.00 0.00 C ATOM 1265 O SER A 82 17.156 -11.436 96.029 1.00 0.00 O ATOM 1266 CB SER A 82 15.777 -9.644 98.278 1.00 0.00 C ATOM 1267 OG SER A 82 16.225 -9.381 99.600 1.00 0.00 O ATOM 0 H SER A 82 15.992 -7.538 96.894 1.00 0.00 H new ATOM 0 HA SER A 82 17.853 -9.630 97.832 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.935 -8.997 98.031 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.424 -10.672 98.199 1.00 0.00 H new ATOM 0 HG SER A 82 15.490 -9.531 100.230 1.00 0.00 H new ATOM 1273 N CYS A 83 16.202 -9.713 95.030 1.00 0.00 N ATOM 1274 CA CYS A 83 16.004 -10.447 93.753 1.00 0.00 C ATOM 1275 C CYS A 83 17.296 -10.369 92.939 1.00 0.00 C ATOM 1276 O CYS A 83 17.816 -11.366 92.485 1.00 0.00 O ATOM 1277 CB CYS A 83 14.863 -9.788 92.976 1.00 0.00 C ATOM 1278 SG CYS A 83 14.773 -8.037 93.425 1.00 0.00 S ATOM 0 H CYS A 83 15.864 -8.751 95.023 1.00 0.00 H new ATOM 0 HA CYS A 83 15.756 -11.490 93.947 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.029 -9.893 91.904 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.919 -10.283 93.203 1.00 0.00 H new ATOM 0 HG CYS A 83 13.597 -7.571 93.123 1.00 0.00 H new ATOM 1284 N VAL A 84 17.830 -9.184 92.765 1.00 0.00 N ATOM 1285 CA VAL A 84 19.104 -9.046 92.000 1.00 0.00 C ATOM 1286 C VAL A 84 20.044 -10.161 92.444 1.00 0.00 C ATOM 1287 O VAL A 84 20.781 -10.728 91.664 1.00 0.00 O ATOM 1288 CB VAL A 84 19.759 -7.698 92.317 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.803 -6.555 91.969 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.100 -7.651 93.804 1.00 0.00 C ATOM 0 H VAL A 84 17.439 -8.311 93.119 1.00 0.00 H new ATOM 0 HA VAL A 84 18.902 -9.105 90.930 1.00 0.00 H new ATOM 0 HB VAL A 84 20.668 -7.586 91.725 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.278 -5.601 92.198 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.561 -6.594 90.907 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.889 -6.655 92.554 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.567 -6.695 94.040 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.188 -7.764 94.390 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.789 -8.461 94.045 1.00 0.00 H new ATOM 1300 N LYS A 85 20.012 -10.471 93.706 1.00 0.00 N ATOM 1301 CA LYS A 85 20.884 -11.539 94.247 1.00 0.00 C ATOM 1302 C LYS A 85 20.673 -12.848 93.462 1.00 0.00 C ATOM 1303 O LYS A 85 21.407 -13.164 92.544 1.00 0.00 O ATOM 1304 CB LYS A 85 20.523 -11.734 95.726 1.00 0.00 C ATOM 1305 CG LYS A 85 20.878 -10.459 96.514 1.00 0.00 C ATOM 1306 CD LYS A 85 22.114 -10.706 97.388 1.00 0.00 C ATOM 1307 CE LYS A 85 23.336 -10.917 96.494 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.567 -10.930 97.332 1.00 0.00 N ATOM 0 H LYS A 85 19.408 -10.021 94.394 1.00 0.00 H new ATOM 0 HA LYS A 85 21.933 -11.260 94.150 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.460 -11.952 95.826 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.063 -12.588 96.134 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.069 -9.637 95.824 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.035 -10.161 97.138 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.278 -9.858 98.052 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.957 -11.580 98.020 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.244 -11.857 95.949 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.398 -10.122 95.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.399 -11.074 96.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.656 -10.023 97.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.507 -11.703 98.025 1.00 0.00 H new ATOM 1322 N LEU A 86 19.694 -13.623 93.822 1.00 0.00 N ATOM 1323 CA LEU A 86 19.469 -14.910 93.106 1.00 0.00 C ATOM 1324 C LEU A 86 19.194 -14.670 91.620 1.00 0.00 C ATOM 1325 O LEU A 86 18.896 -15.591 90.886 1.00 0.00 O ATOM 1326 CB LEU A 86 18.309 -15.698 93.744 1.00 0.00 C ATOM 1327 CG LEU A 86 16.997 -14.893 93.789 1.00 0.00 C ATOM 1328 CD1 LEU A 86 17.135 -13.691 94.725 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.593 -14.417 92.388 1.00 0.00 C ATOM 0 H LEU A 86 19.040 -13.424 94.579 1.00 0.00 H new ATOM 0 HA LEU A 86 20.379 -15.503 93.195 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.147 -16.617 93.181 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.587 -15.989 94.757 1.00 0.00 H new ATOM 0 HG LEU A 86 16.217 -15.552 94.169 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.198 -13.135 94.743 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.371 -14.038 95.731 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.935 -13.042 94.369 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.663 -13.851 92.450 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.378 -13.781 91.979 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.450 -15.280 91.738 1.00 0.00 H new ATOM 1341 N LEU A 87 19.270 -13.446 91.165 1.00 0.00 N ATOM 1342 CA LEU A 87 18.987 -13.186 89.726 1.00 0.00 C ATOM 1343 C LEU A 87 20.168 -13.646 88.881 1.00 0.00 C ATOM 1344 O LEU A 87 20.070 -14.605 88.141 1.00 0.00 O ATOM 1345 CB LEU A 87 18.746 -11.686 89.496 1.00 0.00 C ATOM 1346 CG LEU A 87 17.357 -11.462 88.893 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.996 -9.976 88.979 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.356 -11.898 87.425 1.00 0.00 C ATOM 0 H LEU A 87 19.513 -12.626 91.721 1.00 0.00 H new ATOM 0 HA LEU A 87 18.093 -13.738 89.437 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.832 -11.147 90.440 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.509 -11.285 88.829 1.00 0.00 H new ATOM 0 HG LEU A 87 16.625 -12.050 89.447 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.007 -9.816 88.550 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.993 -9.662 90.023 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.730 -9.391 88.426 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.366 -11.737 86.998 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.089 -11.312 86.871 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.612 -12.955 87.359 1.00 0.00 H new ATOM 1360 N LEU A 88 21.286 -12.978 88.960 1.00 0.00 N ATOM 1361 CA LEU A 88 22.423 -13.425 88.124 1.00 0.00 C ATOM 1362 C LEU A 88 22.666 -14.907 88.361 1.00 0.00 C ATOM 1363 O LEU A 88 23.353 -15.562 87.602 1.00 0.00 O ATOM 1364 CB LEU A 88 23.697 -12.603 88.385 1.00 0.00 C ATOM 1365 CG LEU A 88 24.331 -12.907 89.753 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.265 -12.870 90.845 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.019 -14.284 89.735 1.00 0.00 C ATOM 0 H LEU A 88 21.455 -12.164 89.552 1.00 0.00 H new ATOM 0 HA LEU A 88 22.165 -13.262 87.078 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.424 -12.808 87.599 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.457 -11.541 88.328 1.00 0.00 H new ATOM 0 HG LEU A 88 25.082 -12.146 89.963 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.724 -13.087 91.809 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.809 -11.881 90.874 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.500 -13.616 90.632 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.462 -14.482 90.711 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.283 -15.055 89.507 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.800 -14.291 88.974 1.00 0.00 H new ATOM 1379 N SER A 89 22.077 -15.458 89.385 1.00 0.00 N ATOM 1380 CA SER A 89 22.255 -16.913 89.622 1.00 0.00 C ATOM 1381 C SER A 89 21.799 -17.635 88.353 1.00 0.00 C ATOM 1382 O SER A 89 22.169 -18.763 88.090 1.00 0.00 O ATOM 1383 CB SER A 89 21.404 -17.367 90.812 1.00 0.00 C ATOM 1384 OG SER A 89 21.972 -18.544 91.374 1.00 0.00 O ATOM 0 H SER A 89 21.488 -14.970 90.059 1.00 0.00 H new ATOM 0 HA SER A 89 23.297 -17.139 89.849 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.357 -16.578 91.562 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.381 -17.561 90.489 1.00 0.00 H new ATOM 0 HG SER A 89 21.431 -18.836 92.137 1.00 0.00 H new ATOM 1390 N LYS A 90 20.998 -16.969 87.558 1.00 0.00 N ATOM 1391 CA LYS A 90 20.505 -17.570 86.290 1.00 0.00 C ATOM 1392 C LYS A 90 21.242 -16.930 85.112 1.00 0.00 C ATOM 1393 O LYS A 90 21.279 -17.465 84.022 1.00 0.00 O ATOM 1394 CB LYS A 90 19.010 -17.281 86.153 1.00 0.00 C ATOM 1395 CG LYS A 90 18.204 -18.215 87.064 1.00 0.00 C ATOM 1396 CD LYS A 90 17.854 -17.504 88.376 1.00 0.00 C ATOM 1397 CE LYS A 90 16.608 -16.636 88.175 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.563 -15.582 89.226 1.00 0.00 N ATOM 0 H LYS A 90 20.663 -16.023 87.740 1.00 0.00 H new ATOM 0 HA LYS A 90 20.680 -18.646 86.298 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.808 -16.242 86.414 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.700 -17.415 85.117 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.291 -18.530 86.558 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.780 -19.117 87.273 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.675 -18.238 89.162 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.691 -16.886 88.701 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.626 -16.178 87.186 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.710 -17.252 88.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.691 -15.685 89.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.388 -15.680 89.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.578 -14.644 88.778 1.00 0.00 H new ATOM 1412 N GLY A 91 21.828 -15.786 85.325 1.00 0.00 N ATOM 1413 CA GLY A 91 22.565 -15.102 84.229 1.00 0.00 C ATOM 1414 C GLY A 91 22.292 -13.598 84.291 1.00 0.00 C ATOM 1415 O GLY A 91 22.923 -12.873 85.035 1.00 0.00 O ATOM 0 H GLY A 91 21.828 -15.293 86.218 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.634 -15.292 84.321 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.253 -15.499 83.263 1.00 0.00 H new ATOM 1419 N ALA A 92 21.348 -13.127 83.521 1.00 0.00 N ATOM 1420 CA ALA A 92 21.016 -11.670 83.531 1.00 0.00 C ATOM 1421 C ALA A 92 22.289 -10.827 83.569 1.00 0.00 C ATOM 1422 O ALA A 92 22.231 -9.640 83.817 1.00 0.00 O ATOM 1423 CB ALA A 92 20.187 -11.343 84.778 1.00 0.00 C ATOM 0 H ALA A 92 20.789 -13.691 82.881 1.00 0.00 H new ATOM 0 HA ALA A 92 20.455 -11.442 82.625 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.945 -10.280 84.785 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.266 -11.925 84.765 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.760 -11.591 85.671 1.00 0.00 H new ATOM 1429 N ASP A 93 23.434 -11.405 83.330 1.00 0.00 N ATOM 1430 CA ASP A 93 24.672 -10.588 83.369 1.00 0.00 C ATOM 1431 C ASP A 93 24.576 -9.642 84.573 1.00 0.00 C ATOM 1432 O ASP A 93 24.855 -10.009 85.697 1.00 0.00 O ATOM 1433 CB ASP A 93 24.737 -9.776 82.073 1.00 0.00 C ATOM 1434 CG ASP A 93 25.459 -10.577 80.987 1.00 0.00 C ATOM 1435 OD1 ASP A 93 24.921 -11.588 80.569 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.536 -10.162 80.588 1.00 0.00 O ATOM 0 H ASP A 93 23.563 -12.393 83.113 1.00 0.00 H new ATOM 0 HA ASP A 93 25.563 -11.210 83.461 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.730 -9.524 81.741 1.00 0.00 H new ATOM 0 HB3 ASP A 93 25.259 -8.835 82.250 1.00 0.00 H new ATOM 1441 N LYS A 94 24.145 -8.441 84.330 1.00 0.00 N ATOM 1442 CA LYS A 94 23.965 -7.440 85.416 1.00 0.00 C ATOM 1443 C LYS A 94 23.081 -6.333 84.853 1.00 0.00 C ATOM 1444 O LYS A 94 22.158 -5.850 85.477 1.00 0.00 O ATOM 1445 CB LYS A 94 25.323 -6.873 85.842 1.00 0.00 C ATOM 1446 CG LYS A 94 26.217 -6.628 84.615 1.00 0.00 C ATOM 1447 CD LYS A 94 27.252 -5.544 84.937 1.00 0.00 C ATOM 1448 CE LYS A 94 26.653 -4.162 84.663 1.00 0.00 C ATOM 1449 NZ LYS A 94 27.594 -3.110 85.140 1.00 0.00 N ATOM 0 H LYS A 94 23.903 -8.101 83.399 1.00 0.00 H new ATOM 0 HA LYS A 94 23.507 -7.893 86.295 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.179 -5.939 86.386 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.815 -7.566 86.524 1.00 0.00 H new ATOM 0 HG2 LYS A 94 26.721 -7.552 84.330 1.00 0.00 H new ATOM 0 HG3 LYS A 94 25.608 -6.321 83.765 1.00 0.00 H new ATOM 0 HD2 LYS A 94 27.558 -5.618 85.981 1.00 0.00 H new ATOM 0 HD3 LYS A 94 28.146 -5.690 84.331 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.465 -4.040 83.596 1.00 0.00 H new ATOM 0 HE3 LYS A 94 25.693 -4.063 85.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 27.194 -2.639 85.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 28.504 -3.546 85.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 27.742 -2.409 84.386 1.00 0.00 H new ATOM 1463 N THR A 95 23.366 -5.976 83.643 1.00 0.00 N ATOM 1464 CA THR A 95 22.599 -4.948 82.908 1.00 0.00 C ATOM 1465 C THR A 95 22.780 -5.317 81.438 1.00 0.00 C ATOM 1466 O THR A 95 23.517 -4.691 80.704 1.00 0.00 O ATOM 1467 CB THR A 95 23.174 -3.562 83.231 1.00 0.00 C ATOM 1468 OG1 THR A 95 22.529 -3.051 84.390 1.00 0.00 O ATOM 1469 CG2 THR A 95 22.958 -2.589 82.069 1.00 0.00 C ATOM 0 H THR A 95 24.137 -6.375 83.108 1.00 0.00 H new ATOM 0 HA THR A 95 21.543 -4.912 83.175 1.00 0.00 H new ATOM 0 HB THR A 95 24.246 -3.664 83.401 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.272 -3.794 84.976 1.00 0.00 H new ATOM 0 HG21 THR A 95 23.376 -1.616 82.327 1.00 0.00 H new ATOM 0 HG22 THR A 95 23.454 -2.972 81.177 1.00 0.00 H new ATOM 0 HG23 THR A 95 21.890 -2.486 81.875 1.00 0.00 H new ATOM 1477 N VAL A 96 22.177 -6.400 81.037 1.00 0.00 N ATOM 1478 CA VAL A 96 22.369 -6.904 79.655 1.00 0.00 C ATOM 1479 C VAL A 96 21.632 -6.042 78.619 1.00 0.00 C ATOM 1480 O VAL A 96 21.593 -6.386 77.456 1.00 0.00 O ATOM 1481 CB VAL A 96 21.875 -8.366 79.607 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.496 -8.470 78.940 1.00 0.00 C ATOM 1483 CG2 VAL A 96 22.879 -9.222 78.830 1.00 0.00 C ATOM 0 H VAL A 96 21.553 -6.962 81.616 1.00 0.00 H new ATOM 0 HA VAL A 96 23.427 -6.852 79.398 1.00 0.00 H new ATOM 0 HB VAL A 96 21.788 -8.726 80.632 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.178 -9.512 78.923 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.774 -7.880 79.504 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.556 -8.092 77.919 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.529 -10.254 78.797 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.975 -8.839 77.814 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.849 -9.184 79.325 1.00 0.00 H new ATOM 1493 N LYS A 97 21.062 -4.922 78.995 1.00 0.00 N ATOM 1494 CA LYS A 97 20.375 -4.099 77.952 1.00 0.00 C ATOM 1495 C LYS A 97 20.066 -2.680 78.451 1.00 0.00 C ATOM 1496 O LYS A 97 19.344 -1.944 77.808 1.00 0.00 O ATOM 1497 CB LYS A 97 19.082 -4.796 77.515 1.00 0.00 C ATOM 1498 CG LYS A 97 19.178 -5.166 76.031 1.00 0.00 C ATOM 1499 CD LYS A 97 17.819 -5.664 75.537 1.00 0.00 C ATOM 1500 CE LYS A 97 17.431 -6.935 76.294 1.00 0.00 C ATOM 1501 NZ LYS A 97 16.537 -7.759 75.436 1.00 0.00 N ATOM 0 H LYS A 97 21.042 -4.552 79.945 1.00 0.00 H new ATOM 0 HA LYS A 97 21.051 -4.006 77.102 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.919 -5.692 78.114 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.228 -4.140 77.683 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.492 -4.299 75.449 1.00 0.00 H new ATOM 0 HG3 LYS A 97 19.934 -5.938 75.887 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.062 -4.894 75.687 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.861 -5.865 74.467 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.323 -7.501 76.560 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.927 -6.679 77.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.108 -8.515 76.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.787 -7.158 75.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.090 -8.181 74.663 1.00 0.00 H new ATOM 1515 N GLY A 98 20.608 -2.270 79.561 1.00 0.00 N ATOM 1516 CA GLY A 98 20.331 -0.882 80.035 1.00 0.00 C ATOM 1517 C GLY A 98 21.025 0.093 79.080 1.00 0.00 C ATOM 1518 O GLY A 98 21.704 -0.331 78.167 1.00 0.00 O ATOM 0 H GLY A 98 21.223 -2.825 80.156 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.258 -0.694 80.057 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.699 -0.746 81.052 1.00 0.00 H new ATOM 1522 N PRO A 99 20.866 1.373 79.317 1.00 0.00 N ATOM 1523 CA PRO A 99 21.516 2.389 78.478 1.00 0.00 C ATOM 1524 C PRO A 99 22.994 2.040 78.358 1.00 0.00 C ATOM 1525 O PRO A 99 23.440 1.491 77.369 1.00 0.00 O ATOM 1526 CB PRO A 99 21.304 3.714 79.233 1.00 0.00 C ATOM 1527 CG PRO A 99 20.373 3.418 80.439 1.00 0.00 C ATOM 1528 CD PRO A 99 20.052 1.910 80.423 1.00 0.00 C ATOM 0 HA PRO A 99 21.114 2.451 77.467 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.257 4.118 79.574 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.857 4.462 78.578 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.859 3.696 81.374 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.457 4.005 80.369 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.310 1.439 81.371 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.990 1.732 80.257 1.00 0.00 H new ATOM 1536 N ASP A 100 23.749 2.336 79.370 1.00 0.00 N ATOM 1537 CA ASP A 100 25.194 2.011 79.341 1.00 0.00 C ATOM 1538 C ASP A 100 25.675 1.751 80.768 1.00 0.00 C ATOM 1539 O ASP A 100 25.202 0.858 81.447 1.00 0.00 O ATOM 1540 CB ASP A 100 25.966 3.185 78.737 1.00 0.00 C ATOM 1541 CG ASP A 100 27.429 2.787 78.535 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.676 1.618 78.291 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.277 3.659 78.626 1.00 0.00 O ATOM 0 H ASP A 100 23.425 2.793 80.223 1.00 0.00 H new ATOM 0 HA ASP A 100 25.364 1.122 78.733 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.522 3.474 77.784 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.902 4.052 79.394 1.00 0.00 H new ATOM 1548 N GLY A 101 26.610 2.519 81.228 1.00 0.00 N ATOM 1549 CA GLY A 101 27.129 2.308 82.604 1.00 0.00 C ATOM 1550 C GLY A 101 26.027 2.584 83.624 1.00 0.00 C ATOM 1551 O GLY A 101 26.230 2.473 84.827 1.00 0.00 O ATOM 0 H GLY A 101 27.041 3.287 80.713 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.489 1.285 82.713 1.00 0.00 H new ATOM 0 HA3 GLY A 101 27.978 2.966 82.786 1.00 0.00 H new ATOM 1555 N LEU A 102 24.853 2.930 83.176 1.00 0.00 N ATOM 1556 CA LEU A 102 23.777 3.203 84.158 1.00 0.00 C ATOM 1557 C LEU A 102 23.729 2.047 85.133 1.00 0.00 C ATOM 1558 O LEU A 102 24.040 2.186 86.301 1.00 0.00 O ATOM 1559 CB LEU A 102 22.417 3.342 83.464 1.00 0.00 C ATOM 1560 CG LEU A 102 21.323 3.771 84.470 1.00 0.00 C ATOM 1561 CD1 LEU A 102 19.963 3.810 83.765 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.226 2.795 85.649 1.00 0.00 C ATOM 0 H LEU A 102 24.598 3.033 82.194 1.00 0.00 H new ATOM 0 HA LEU A 102 23.988 4.140 84.673 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.487 4.077 82.662 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.141 2.393 83.004 1.00 0.00 H new ATOM 0 HG LEU A 102 21.593 4.757 84.849 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.194 4.112 84.475 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.000 4.525 82.943 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.727 2.820 83.374 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.447 3.129 86.335 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.981 1.800 85.278 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.181 2.762 86.173 1.00 0.00 H new ATOM 1574 N THR A 103 23.320 0.904 84.668 1.00 0.00 N ATOM 1575 CA THR A 103 23.224 -0.258 85.577 1.00 0.00 C ATOM 1576 C THR A 103 23.163 0.252 87.018 1.00 0.00 C ATOM 1577 O THR A 103 22.194 0.863 87.432 1.00 0.00 O ATOM 1578 CB THR A 103 24.441 -1.164 85.397 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.474 -2.101 86.461 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.721 -0.326 85.401 1.00 0.00 C ATOM 0 H THR A 103 23.050 0.727 83.700 1.00 0.00 H new ATOM 0 HA THR A 103 22.327 -0.833 85.348 1.00 0.00 H new ATOM 0 HB THR A 103 24.372 -1.689 84.444 1.00 0.00 H new ATOM 0 HG1 THR A 103 23.866 -2.843 86.262 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.584 -0.979 85.272 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.686 0.395 84.584 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.806 0.204 86.350 1.00 0.00 H new ATOM 1588 N ALA A 104 24.192 0.022 87.783 1.00 0.00 N ATOM 1589 CA ALA A 104 24.193 0.493 89.198 1.00 0.00 C ATOM 1590 C ALA A 104 24.895 1.856 89.333 1.00 0.00 C ATOM 1591 O ALA A 104 24.659 2.578 90.279 1.00 0.00 O ATOM 1592 CB ALA A 104 24.920 -0.526 90.071 1.00 0.00 C ATOM 0 H ALA A 104 25.035 -0.473 87.490 1.00 0.00 H new ATOM 0 HA ALA A 104 23.157 0.602 89.519 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.922 -0.183 91.106 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.411 -1.488 90.008 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.947 -0.636 89.723 1.00 0.00 H new ATOM 1598 N LEU A 105 25.784 2.196 88.428 1.00 0.00 N ATOM 1599 CA LEU A 105 26.527 3.489 88.541 1.00 0.00 C ATOM 1600 C LEU A 105 25.577 4.696 88.611 1.00 0.00 C ATOM 1601 O LEU A 105 25.507 5.382 89.610 1.00 0.00 O ATOM 1602 CB LEU A 105 27.421 3.662 87.316 1.00 0.00 C ATOM 1603 CG LEU A 105 28.178 2.365 87.014 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.185 2.615 85.891 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.923 1.890 88.264 1.00 0.00 C ATOM 0 H LEU A 105 26.026 1.630 87.614 1.00 0.00 H new ATOM 0 HA LEU A 105 27.111 3.452 89.460 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.816 3.945 86.455 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.130 4.472 87.488 1.00 0.00 H new ATOM 0 HG LEU A 105 27.465 1.599 86.708 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.725 1.693 85.675 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.658 2.945 84.996 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.892 3.385 86.201 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.458 0.967 88.040 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.634 2.655 88.577 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.208 1.709 89.067 1.00 0.00 H new ATOM 1617 N GLU A 106 24.875 4.991 87.549 1.00 0.00 N ATOM 1618 CA GLU A 106 23.987 6.179 87.563 1.00 0.00 C ATOM 1619 C GLU A 106 22.694 5.866 88.313 1.00 0.00 C ATOM 1620 O GLU A 106 21.863 6.730 88.523 1.00 0.00 O ATOM 1621 CB GLU A 106 23.658 6.562 86.119 1.00 0.00 C ATOM 1622 CG GLU A 106 24.954 6.779 85.330 1.00 0.00 C ATOM 1623 CD GLU A 106 25.535 8.155 85.659 1.00 0.00 C ATOM 1624 OE1 GLU A 106 24.768 9.031 86.024 1.00 0.00 O ATOM 1625 OE2 GLU A 106 26.739 8.311 85.537 1.00 0.00 O ATOM 0 H GLU A 106 24.881 4.460 86.678 1.00 0.00 H new ATOM 0 HA GLU A 106 24.492 7.003 88.067 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.064 5.777 85.651 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.055 7.470 86.102 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.676 6.001 85.577 1.00 0.00 H new ATOM 0 HG3 GLU A 106 24.757 6.703 84.261 1.00 0.00 H new ATOM 1632 N ALA A 107 22.509 4.641 88.715 1.00 0.00 N ATOM 1633 CA ALA A 107 21.254 4.297 89.441 1.00 0.00 C ATOM 1634 C ALA A 107 21.299 4.720 90.916 1.00 0.00 C ATOM 1635 O ALA A 107 20.340 5.264 91.428 1.00 0.00 O ATOM 1636 CB ALA A 107 21.018 2.791 89.378 1.00 0.00 C ATOM 0 H ALA A 107 23.163 3.871 88.575 1.00 0.00 H new ATOM 0 HA ALA A 107 20.445 4.840 88.953 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.099 2.544 89.910 1.00 0.00 H new ATOM 0 HB2 ALA A 107 20.929 2.480 88.337 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.857 2.272 89.842 1.00 0.00 H new ATOM 1642 N THR A 108 22.355 4.437 91.632 1.00 0.00 N ATOM 1643 CA THR A 108 22.348 4.796 93.078 1.00 0.00 C ATOM 1644 C THR A 108 23.755 4.934 93.653 1.00 0.00 C ATOM 1645 O THR A 108 24.736 5.104 92.955 1.00 0.00 O ATOM 1646 CB THR A 108 21.656 3.661 93.828 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.575 3.979 95.211 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.471 2.376 93.640 1.00 0.00 C ATOM 0 H THR A 108 23.202 3.984 91.288 1.00 0.00 H new ATOM 0 HA THR A 108 21.841 5.755 93.188 1.00 0.00 H new ATOM 0 HB THR A 108 20.648 3.521 93.438 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.358 4.929 95.316 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.987 1.557 94.172 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.531 2.135 92.579 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.476 2.521 94.036 1.00 0.00 H new ATOM 1656 N ASP A 109 23.826 4.822 94.953 1.00 0.00 N ATOM 1657 CA ASP A 109 25.114 4.890 95.679 1.00 0.00 C ATOM 1658 C ASP A 109 25.039 3.908 96.856 1.00 0.00 C ATOM 1659 O ASP A 109 25.951 3.798 97.654 1.00 0.00 O ATOM 1660 CB ASP A 109 25.362 6.306 96.200 1.00 0.00 C ATOM 1661 CG ASP A 109 26.685 6.334 96.970 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.717 6.185 96.336 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.645 6.503 98.178 1.00 0.00 O ATOM 0 H ASP A 109 23.014 4.682 95.554 1.00 0.00 H new ATOM 0 HA ASP A 109 25.934 4.630 95.010 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.396 7.011 95.370 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.543 6.616 96.849 1.00 0.00 H new ATOM 1668 N ASN A 110 23.953 3.178 96.958 1.00 0.00 N ATOM 1669 CA ASN A 110 23.822 2.190 98.065 1.00 0.00 C ATOM 1670 C ASN A 110 24.701 0.985 97.723 1.00 0.00 C ATOM 1671 O ASN A 110 24.769 0.556 96.591 1.00 0.00 O ATOM 1672 CB ASN A 110 22.359 1.758 98.214 1.00 0.00 C ATOM 1673 CG ASN A 110 21.760 1.486 96.842 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.443 0.783 95.997 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.663 1.917 96.541 1.00 0.00 N flip ATOM 0 H ASN A 110 23.157 3.227 96.322 1.00 0.00 H new ATOM 0 HA ASN A 110 24.139 2.631 99.010 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.296 0.863 98.833 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.790 2.537 98.721 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.131 2.470 97.212 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.276 1.725 95.617 1.00 0.00 H new ATOM 1682 N GLN A 111 25.412 0.470 98.677 1.00 0.00 N ATOM 1683 CA GLN A 111 26.337 -0.665 98.394 1.00 0.00 C ATOM 1684 C GLN A 111 25.584 -1.986 98.143 1.00 0.00 C ATOM 1685 O GLN A 111 26.193 -3.017 97.958 1.00 0.00 O ATOM 1686 CB GLN A 111 27.296 -0.802 99.578 1.00 0.00 C ATOM 1687 CG GLN A 111 28.075 -2.116 99.493 1.00 0.00 C ATOM 1688 CD GLN A 111 29.330 -2.000 100.355 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.307 -1.216 101.395 1.00 0.00 O flip ATOM 1690 NE2 GLN A 111 30.335 -2.626 100.082 1.00 0.00 N flip ATOM 0 H GLN A 111 25.396 0.784 99.647 1.00 0.00 H new ATOM 0 HA GLN A 111 26.888 -0.453 97.478 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.990 0.038 99.589 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.736 -0.765 100.512 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.456 -2.945 99.837 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.346 -2.328 98.459 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.348 -3.239 99.267 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.165 -2.539 100.668 1.00 0.00 H new ATOM 1699 N ALA A 112 24.278 -1.983 98.111 1.00 0.00 N ATOM 1700 CA ALA A 112 23.554 -3.264 97.860 1.00 0.00 C ATOM 1701 C ALA A 112 23.459 -3.508 96.356 1.00 0.00 C ATOM 1702 O ALA A 112 23.829 -4.554 95.841 1.00 0.00 O ATOM 1703 CB ALA A 112 22.145 -3.187 98.455 1.00 0.00 C ATOM 0 H ALA A 112 23.688 -1.162 98.246 1.00 0.00 H new ATOM 0 HA ALA A 112 24.098 -4.084 98.329 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.620 -4.124 98.270 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.213 -3.015 99.529 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.598 -2.367 97.990 1.00 0.00 H new ATOM 1709 N ILE A 113 23.004 -2.538 95.643 1.00 0.00 N ATOM 1710 CA ILE A 113 22.911 -2.695 94.172 1.00 0.00 C ATOM 1711 C ILE A 113 24.326 -2.796 93.643 1.00 0.00 C ATOM 1712 O ILE A 113 24.659 -3.654 92.846 1.00 0.00 O ATOM 1713 CB ILE A 113 22.266 -1.451 93.552 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.747 -1.469 93.738 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.578 -1.400 92.048 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.357 -0.922 95.117 1.00 0.00 C ATOM 0 H ILE A 113 22.690 -1.639 96.009 1.00 0.00 H new ATOM 0 HA ILE A 113 22.316 -3.574 93.926 1.00 0.00 H new ATOM 0 HB ILE A 113 22.675 -0.574 94.054 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.274 -0.872 92.959 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.375 -2.488 93.628 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.118 -0.514 91.611 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.657 -1.358 91.902 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.181 -2.292 91.564 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.273 -0.945 95.224 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.812 -1.536 95.894 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.709 0.105 95.214 1.00 0.00 H new ATOM 1728 N LYS A 114 25.159 -1.905 94.073 1.00 0.00 N ATOM 1729 CA LYS A 114 26.547 -1.922 93.595 1.00 0.00 C ATOM 1730 C LYS A 114 27.090 -3.334 93.766 1.00 0.00 C ATOM 1731 O LYS A 114 28.095 -3.706 93.189 1.00 0.00 O ATOM 1732 CB LYS A 114 27.370 -0.916 94.398 1.00 0.00 C ATOM 1733 CG LYS A 114 26.690 0.461 94.361 1.00 0.00 C ATOM 1734 CD LYS A 114 26.977 1.151 93.026 1.00 0.00 C ATOM 1735 CE LYS A 114 26.628 2.636 93.135 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.661 3.322 93.959 1.00 0.00 N ATOM 0 H LYS A 114 24.934 -1.165 94.737 1.00 0.00 H new ATOM 0 HA LYS A 114 26.602 -1.641 92.543 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.470 -1.255 95.429 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.377 -0.846 93.987 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.614 0.348 94.498 1.00 0.00 H new ATOM 0 HG3 LYS A 114 27.053 1.077 95.184 1.00 0.00 H new ATOM 0 HD2 LYS A 114 28.028 1.032 92.761 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.393 0.687 92.231 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.580 3.084 92.143 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.644 2.758 93.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.636 4.344 93.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.468 3.155 94.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.601 2.948 93.719 1.00 0.00 H new ATOM 1750 N ALA A 115 26.405 -4.138 94.534 1.00 0.00 N ATOM 1751 CA ALA A 115 26.847 -5.536 94.718 1.00 0.00 C ATOM 1752 C ALA A 115 26.790 -6.203 93.355 1.00 0.00 C ATOM 1753 O ALA A 115 27.649 -6.984 92.994 1.00 0.00 O ATOM 1754 CB ALA A 115 25.921 -6.270 95.697 1.00 0.00 C ATOM 0 H ALA A 115 25.558 -3.880 95.040 1.00 0.00 H new ATOM 0 HA ALA A 115 27.856 -5.567 95.130 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.262 -7.298 95.820 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.938 -5.764 96.662 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.904 -6.270 95.305 1.00 0.00 H new ATOM 1760 N LEU A 116 25.791 -5.878 92.576 1.00 0.00 N ATOM 1761 CA LEU A 116 25.711 -6.476 91.220 1.00 0.00 C ATOM 1762 C LEU A 116 26.833 -5.868 90.374 1.00 0.00 C ATOM 1763 O LEU A 116 27.145 -6.340 89.299 1.00 0.00 O ATOM 1764 CB LEU A 116 24.352 -6.153 90.577 1.00 0.00 C ATOM 1765 CG LEU A 116 23.381 -7.345 90.673 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.181 -7.075 89.761 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.060 -8.651 90.226 1.00 0.00 C ATOM 0 H LEU A 116 25.039 -5.233 92.819 1.00 0.00 H new ATOM 0 HA LEU A 116 25.815 -7.559 91.281 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.913 -5.285 91.069 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.498 -5.886 89.530 1.00 0.00 H new ATOM 0 HG LEU A 116 23.066 -7.456 91.711 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.485 -7.911 89.819 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.679 -6.162 90.081 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.524 -6.959 88.733 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.351 -9.475 90.304 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.391 -8.554 89.192 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.920 -8.851 90.865 1.00 0.00 H new ATOM 1779 N LEU A 117 27.461 -4.828 90.864 1.00 0.00 N ATOM 1780 CA LEU A 117 28.578 -4.212 90.096 1.00 0.00 C ATOM 1781 C LEU A 117 29.797 -5.096 90.312 1.00 0.00 C ATOM 1782 O LEU A 117 30.884 -4.824 89.847 1.00 0.00 O ATOM 1783 CB LEU A 117 28.853 -2.791 90.614 1.00 0.00 C ATOM 1784 CG LEU A 117 29.234 -1.849 89.456 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.510 -2.347 88.770 1.00 0.00 C ATOM 1786 CD2 LEU A 117 28.093 -1.783 88.430 1.00 0.00 C ATOM 0 H LEU A 117 27.248 -4.384 91.757 1.00 0.00 H new ATOM 0 HA LEU A 117 28.333 -4.137 89.037 1.00 0.00 H new ATOM 0 HB2 LEU A 117 27.969 -2.408 91.124 1.00 0.00 H new ATOM 0 HB3 LEU A 117 29.659 -2.816 91.348 1.00 0.00 H new ATOM 0 HG LEU A 117 29.409 -0.853 89.862 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.770 -1.674 87.953 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.325 -2.373 89.493 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.343 -3.349 88.375 1.00 0.00 H new ATOM 0 HD21 LEU A 117 28.374 -1.114 87.616 1.00 0.00 H new ATOM 0 HD22 LEU A 117 27.904 -2.780 88.032 1.00 0.00 H new ATOM 0 HD23 LEU A 117 27.191 -1.408 88.913 1.00 0.00 H new ATOM 1798 N GLN A 118 29.599 -6.167 91.023 1.00 0.00 N ATOM 1799 CA GLN A 118 30.711 -7.110 91.291 1.00 0.00 C ATOM 1800 C GLN A 118 31.102 -7.821 89.994 1.00 0.00 C ATOM 1801 O GLN A 118 30.434 -7.605 88.996 1.00 0.00 O ATOM 1802 CB GLN A 118 30.242 -8.152 92.303 1.00 0.00 C ATOM 1803 CG GLN A 118 29.102 -8.977 91.692 1.00 0.00 C ATOM 1804 CD GLN A 118 29.684 -10.138 90.881 1.00 0.00 C ATOM 1805 OE1 GLN A 118 30.466 -10.916 91.389 1.00 0.00 O ATOM 1806 NE2 GLN A 118 29.335 -10.285 89.631 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.062 -8.572 90.022 1.00 0.00 O ATOM 0 H GLN A 118 28.703 -6.431 91.434 1.00 0.00 H new ATOM 0 HA GLN A 118 31.569 -6.563 91.682 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.070 -8.804 92.580 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.903 -7.662 93.216 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.454 -9.360 92.480 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.486 -8.346 91.052 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.678 -9.631 89.205 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.719 -11.053 89.081 1.00 0.00 H new