USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=32 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 108:sc= -1.97! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -8.91! C(o=-20!,f=-11!) USER MOD Set 2.1: A 40 HIS : no HD1:sc= -0.974 K(o=-0.98,f=-2.2!) USER MOD Set 2.2: A 74 SER OG : rot -130:sc= -0.0104 USER MOD Single : A 4 LYS NZ :NH3+ 159:sc= -0.0355 (180deg=-0.448) USER MOD Single : A 7 MET CE :methyl 142:sc= -0.345 (180deg=-2.6!) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc=-0.00615 (180deg=-0.336) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.423 F(o=-1.2,f=-0.42) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= -0.0426 (180deg=-0.0426) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.434) USER MOD Single : A 29 ASN :FLIP amide:sc= -5.89! C(o=-7.9!,f=-5.9!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= 0.146 (180deg=-0.29) USER MOD Single : A 41 TYR OH : rot 180:sc= -2.5 USER MOD Single : A 45 CYS SG : rot -49:sc= -2.62! USER MOD Single : A 47 GLN :FLIP amide:sc= -2.33! C(o=-6.3!,f=-2.3!) USER MOD Single : A 57 LYS NZ :NH3+ -124:sc= -3.13! (180deg=-6.45!) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.639 F(o=-10!,f=-0.64) USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= -0.0357 (180deg=-0.356) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.942 F(o=-2.1,f=-0.94) USER MOD Single : A 68 HIS : no HE2:sc= -0.287 K(o=-0.29,f=-3.4!) USER MOD Single : A 70 THR OG1 : rot 124:sc= -4.24! USER MOD Single : A 77 TYR OH : rot 180:sc= -0.774 USER MOD Single : A 80 HIS : no HD1:sc= -0.0493 K(o=-0.049,f=-2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -160:sc= -2.39 USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0297) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -115:sc= -1.94! (180deg=-3.77!) USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= -0.219 (180deg=-0.97!) USER MOD Single : A 95 THR OG1 : rot 121:sc= -2.39 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.751! USER MOD Single : A 111 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -159:sc= 0.0502 (180deg=0.00153) USER MOD Single : A 118 GLN : amide:sc= -4.53! C(o=-4.5!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.278 -8.691 85.552 1.00 0.00 N ATOM 44 CA LYS A 4 -7.090 -8.025 86.872 1.00 0.00 C ATOM 45 C LYS A 4 -6.570 -9.023 87.913 1.00 0.00 C ATOM 46 O LYS A 4 -5.436 -8.949 88.342 1.00 0.00 O ATOM 47 CB LYS A 4 -8.431 -7.454 87.334 1.00 0.00 C ATOM 48 CG LYS A 4 -8.947 -6.461 86.290 1.00 0.00 C ATOM 49 CD LYS A 4 -10.172 -5.731 86.840 1.00 0.00 C ATOM 50 CE LYS A 4 -10.767 -4.844 85.744 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.364 -5.700 84.680 1.00 0.00 N ATOM 0 HA LYS A 4 -6.357 -7.225 86.767 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.153 -8.259 87.474 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.315 -6.958 88.298 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.166 -5.744 86.038 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.206 -6.986 85.371 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.915 -6.451 87.184 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.892 -5.125 87.702 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.527 -4.187 86.166 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.993 -4.204 85.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.058 -5.147 84.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.614 -6.035 84.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.837 -6.517 85.116 1.00 0.00 H new ATOM 65 N GLU A 5 -7.390 -9.944 88.338 1.00 0.00 N ATOM 66 CA GLU A 5 -6.938 -10.928 89.365 1.00 0.00 C ATOM 67 C GLU A 5 -5.607 -11.566 88.941 1.00 0.00 C ATOM 68 O GLU A 5 -4.727 -11.779 89.752 1.00 0.00 O ATOM 69 CB GLU A 5 -8.002 -12.023 89.523 1.00 0.00 C ATOM 70 CG GLU A 5 -8.807 -11.786 90.806 1.00 0.00 C ATOM 71 CD GLU A 5 -9.624 -10.497 90.678 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.993 -10.159 89.565 1.00 0.00 O ATOM 73 OE2 GLU A 5 -9.866 -9.871 91.696 1.00 0.00 O ATOM 0 H GLU A 5 -8.352 -10.059 88.020 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.796 -10.411 90.314 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.668 -12.023 88.660 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.526 -13.003 89.558 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.471 -12.631 90.991 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.134 -11.717 91.661 1.00 0.00 H new ATOM 80 N PHE A 6 -5.462 -11.884 87.682 1.00 0.00 N ATOM 81 CA PHE A 6 -4.198 -12.525 87.200 1.00 0.00 C ATOM 82 C PHE A 6 -2.978 -11.680 87.610 1.00 0.00 C ATOM 83 O PHE A 6 -2.112 -12.138 88.332 1.00 0.00 O ATOM 84 CB PHE A 6 -4.265 -12.657 85.672 1.00 0.00 C ATOM 85 CG PHE A 6 -2.880 -12.824 85.084 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.965 -13.716 85.661 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.519 -12.090 83.949 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.691 -13.870 85.099 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.247 -12.245 83.389 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.333 -13.135 83.963 1.00 0.00 C ATOM 0 H PHE A 6 -6.167 -11.728 86.961 1.00 0.00 H new ATOM 0 HA PHE A 6 -4.092 -13.512 87.651 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.884 -13.513 85.404 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.741 -11.773 85.247 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.242 -14.283 86.537 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.224 -11.403 83.505 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.015 -14.556 85.543 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.970 -11.677 82.513 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.649 -13.255 83.530 1.00 0.00 H new ATOM 100 N MET A 7 -2.887 -10.460 87.147 1.00 0.00 N ATOM 101 CA MET A 7 -1.705 -9.623 87.511 1.00 0.00 C ATOM 102 C MET A 7 -1.759 -9.220 88.997 1.00 0.00 C ATOM 103 O MET A 7 -0.743 -9.120 89.657 1.00 0.00 O ATOM 104 CB MET A 7 -1.661 -8.372 86.618 1.00 0.00 C ATOM 105 CG MET A 7 -2.338 -7.192 87.318 1.00 0.00 C ATOM 106 SD MET A 7 -2.599 -5.857 86.122 1.00 0.00 S ATOM 107 CE MET A 7 -3.836 -6.689 85.094 1.00 0.00 C ATOM 0 H MET A 7 -3.572 -10.011 86.539 1.00 0.00 H new ATOM 0 HA MET A 7 -0.799 -10.208 87.352 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.626 -8.120 86.385 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.160 -8.576 85.671 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.291 -7.505 87.745 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.719 -6.840 88.144 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.588 -5.968 84.774 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.351 -7.120 84.218 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.315 -7.481 85.670 1.00 0.00 H new ATOM 117 N TRP A 8 -2.926 -8.983 89.531 1.00 0.00 N ATOM 118 CA TRP A 8 -3.013 -8.593 90.968 1.00 0.00 C ATOM 119 C TRP A 8 -2.237 -9.603 91.818 1.00 0.00 C ATOM 120 O TRP A 8 -2.034 -9.411 93.002 1.00 0.00 O ATOM 121 CB TRP A 8 -4.477 -8.584 91.406 1.00 0.00 C ATOM 122 CG TRP A 8 -4.594 -7.876 92.714 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.553 -8.473 93.927 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.762 -6.452 92.962 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.687 -7.504 94.905 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.822 -6.242 94.359 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.874 -5.331 92.118 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.979 -4.966 94.901 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -5.032 -4.046 92.659 1.00 0.00 C ATOM 130 CH2 TRP A 8 -5.089 -3.864 94.049 1.00 0.00 C ATOM 0 H TRP A 8 -3.818 -9.042 89.039 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.586 -7.599 91.100 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.091 -8.088 90.654 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.848 -9.605 91.497 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.435 -9.532 94.103 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.686 -7.697 95.906 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.838 -5.461 91.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.015 -4.831 95.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.110 -3.192 92.002 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.218 -2.874 94.460 1.00 0.00 H new ATOM 141 N ALA A 9 -1.808 -10.684 91.221 1.00 0.00 N ATOM 142 CA ALA A 9 -1.051 -11.714 91.984 1.00 0.00 C ATOM 143 C ALA A 9 0.445 -11.378 91.986 1.00 0.00 C ATOM 144 O ALA A 9 1.092 -11.443 93.012 1.00 0.00 O ATOM 145 CB ALA A 9 -1.283 -13.090 91.361 1.00 0.00 C ATOM 0 H ALA A 9 -1.951 -10.897 90.234 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.405 -11.726 93.015 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.727 -13.842 91.922 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.346 -13.328 91.390 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.941 -13.083 90.326 1.00 0.00 H new ATOM 151 N LEU A 10 1.011 -11.002 90.860 1.00 0.00 N ATOM 152 CA LEU A 10 2.466 -10.646 90.856 1.00 0.00 C ATOM 153 C LEU A 10 2.712 -9.645 91.987 1.00 0.00 C ATOM 154 O LEU A 10 3.833 -9.370 92.367 1.00 0.00 O ATOM 155 CB LEU A 10 2.865 -9.929 89.549 1.00 0.00 C ATOM 156 CG LEU A 10 2.372 -10.677 88.302 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.700 -9.672 87.358 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.570 -11.312 87.584 1.00 0.00 C ATOM 0 H LEU A 10 0.537 -10.928 89.960 1.00 0.00 H new ATOM 0 HA LEU A 10 3.042 -11.565 90.966 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.454 -8.919 89.551 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.950 -9.832 89.507 1.00 0.00 H new ATOM 0 HG LEU A 10 1.664 -11.454 88.591 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.345 -10.191 86.467 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.857 -9.204 87.866 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.420 -8.906 87.069 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.223 -11.844 86.698 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.272 -10.532 87.288 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.068 -12.012 88.256 1.00 0.00 H new ATOM 170 N LYS A 11 1.651 -9.048 92.457 1.00 0.00 N ATOM 171 CA LYS A 11 1.755 -7.978 93.500 1.00 0.00 C ATOM 172 C LYS A 11 1.826 -8.506 94.941 1.00 0.00 C ATOM 173 O LYS A 11 2.851 -8.431 95.589 1.00 0.00 O ATOM 174 CB LYS A 11 0.517 -7.093 93.373 1.00 0.00 C ATOM 175 CG LYS A 11 0.502 -6.052 94.484 1.00 0.00 C ATOM 176 CD LYS A 11 -0.550 -5.005 94.140 1.00 0.00 C ATOM 177 CE LYS A 11 -0.903 -4.206 95.387 1.00 0.00 C ATOM 178 NZ LYS A 11 0.340 -3.639 95.978 1.00 0.00 N ATOM 0 H LYS A 11 0.698 -9.258 92.159 1.00 0.00 H new ATOM 0 HA LYS A 11 2.688 -7.443 93.323 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.512 -6.599 92.401 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.384 -7.705 93.425 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.273 -6.521 95.441 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.483 -5.587 94.583 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.174 -4.339 93.363 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.442 -5.488 93.741 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.597 -3.405 95.135 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.405 -4.846 96.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.093 -2.875 96.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.854 -4.386 96.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.943 -3.260 95.220 1.00 0.00 H new ATOM 192 N ASN A 12 0.725 -8.964 95.469 1.00 0.00 N ATOM 193 CA ASN A 12 0.699 -9.409 96.894 1.00 0.00 C ATOM 194 C ASN A 12 1.355 -10.772 97.066 1.00 0.00 C ATOM 195 O ASN A 12 0.990 -11.541 97.932 1.00 0.00 O ATOM 196 CB ASN A 12 -0.751 -9.492 97.343 1.00 0.00 C ATOM 197 CG ASN A 12 -0.812 -9.628 98.864 1.00 0.00 C ATOM 198 OD1 ASN A 12 0.008 -8.931 99.601 1.00 0.00 O flip ATOM 199 ND2 ASN A 12 -1.613 -10.377 99.387 1.00 0.00 N flip ATOM 0 H ASN A 12 -0.163 -9.050 94.974 1.00 0.00 H new ATOM 0 HA ASN A 12 1.256 -8.691 97.496 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.292 -8.600 97.026 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.239 -10.345 96.872 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.254 -10.922 98.810 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.645 -10.461 100.403 1.00 0.00 H new ATOM 206 N GLY A 13 2.335 -11.067 96.277 1.00 0.00 N ATOM 207 CA GLY A 13 3.028 -12.365 96.424 1.00 0.00 C ATOM 208 C GLY A 13 2.044 -13.524 96.282 1.00 0.00 C ATOM 209 O GLY A 13 2.348 -14.640 96.653 1.00 0.00 O ATOM 0 H GLY A 13 2.689 -10.465 95.534 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.811 -12.452 95.670 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.516 -12.414 97.397 1.00 0.00 H new ATOM 213 N ASP A 14 0.879 -13.295 95.735 1.00 0.00 N ATOM 214 CA ASP A 14 -0.063 -14.428 95.563 1.00 0.00 C ATOM 215 C ASP A 14 0.536 -15.352 94.516 1.00 0.00 C ATOM 216 O ASP A 14 -0.088 -15.732 93.545 1.00 0.00 O ATOM 217 CB ASP A 14 -1.425 -13.936 95.101 1.00 0.00 C ATOM 218 CG ASP A 14 -1.786 -12.646 95.838 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.632 -12.617 97.048 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.215 -11.710 95.183 1.00 0.00 O ATOM 0 H ASP A 14 0.547 -12.388 95.407 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.207 -14.946 96.511 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.413 -13.760 94.025 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.181 -14.698 95.291 1.00 0.00 H new ATOM 225 N LEU A 15 1.767 -15.681 94.730 1.00 0.00 N ATOM 226 CA LEU A 15 2.526 -16.557 93.814 1.00 0.00 C ATOM 227 C LEU A 15 1.669 -17.769 93.428 1.00 0.00 C ATOM 228 O LEU A 15 1.751 -18.285 92.335 1.00 0.00 O ATOM 229 CB LEU A 15 3.798 -16.987 94.565 1.00 0.00 C ATOM 230 CG LEU A 15 4.741 -17.816 93.684 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.303 -19.280 93.695 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.746 -17.285 92.245 1.00 0.00 C ATOM 0 H LEU A 15 2.302 -15.364 95.539 1.00 0.00 H new ATOM 0 HA LEU A 15 2.791 -16.043 92.890 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.323 -16.101 94.923 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.520 -17.569 95.444 1.00 0.00 H new ATOM 0 HG LEU A 15 5.751 -17.736 94.085 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.975 -19.866 93.068 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.334 -19.661 94.716 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.287 -19.359 93.309 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.421 -17.887 91.637 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.739 -17.342 91.833 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.082 -16.248 92.241 1.00 0.00 H new ATOM 244 N ASP A 16 0.836 -18.217 94.317 1.00 0.00 N ATOM 245 CA ASP A 16 -0.037 -19.379 94.012 1.00 0.00 C ATOM 246 C ASP A 16 -0.984 -19.023 92.860 1.00 0.00 C ATOM 247 O ASP A 16 -1.411 -19.875 92.105 1.00 0.00 O ATOM 248 CB ASP A 16 -0.858 -19.714 95.256 1.00 0.00 C ATOM 249 CG ASP A 16 0.056 -19.731 96.483 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.436 -18.661 96.927 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.360 -20.813 96.957 1.00 0.00 O ATOM 0 H ASP A 16 0.720 -17.825 95.252 1.00 0.00 H new ATOM 0 HA ASP A 16 0.573 -20.235 93.723 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.651 -18.978 95.390 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.341 -20.684 95.136 1.00 0.00 H new ATOM 256 N GLU A 17 -1.330 -17.769 92.735 1.00 0.00 N ATOM 257 CA GLU A 17 -2.267 -17.351 91.647 1.00 0.00 C ATOM 258 C GLU A 17 -1.529 -17.237 90.304 1.00 0.00 C ATOM 259 O GLU A 17 -1.981 -17.756 89.301 1.00 0.00 O ATOM 260 CB GLU A 17 -2.903 -16.009 92.012 1.00 0.00 C ATOM 261 CG GLU A 17 -4.132 -16.255 92.890 1.00 0.00 C ATOM 262 CD GLU A 17 -4.775 -14.920 93.260 1.00 0.00 C ATOM 263 OE1 GLU A 17 -4.669 -13.995 92.471 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.365 -14.845 94.324 1.00 0.00 O ATOM 0 H GLU A 17 -1.005 -17.014 93.339 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.045 -18.108 91.543 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.183 -15.384 92.541 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.189 -15.471 91.108 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.850 -16.881 92.360 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.844 -16.794 93.793 1.00 0.00 H new ATOM 271 N VAL A 18 -0.399 -16.579 90.260 1.00 0.00 N ATOM 272 CA VAL A 18 0.334 -16.473 88.958 1.00 0.00 C ATOM 273 C VAL A 18 0.771 -17.879 88.555 1.00 0.00 C ATOM 274 O VAL A 18 0.943 -18.187 87.392 1.00 0.00 O ATOM 275 CB VAL A 18 1.593 -15.606 89.120 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.345 -14.191 88.592 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.983 -15.547 90.596 1.00 0.00 C ATOM 0 H VAL A 18 0.044 -16.117 91.054 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.316 -16.022 88.208 1.00 0.00 H new ATOM 0 HB VAL A 18 2.404 -16.052 88.544 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.248 -13.593 88.716 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.083 -14.238 87.535 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.527 -13.733 89.149 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.876 -14.932 90.712 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.166 -15.112 91.171 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.186 -16.554 90.959 1.00 0.00 H new ATOM 287 N LYS A 19 0.954 -18.722 89.533 1.00 0.00 N ATOM 288 CA LYS A 19 1.386 -20.124 89.276 1.00 0.00 C ATOM 289 C LYS A 19 0.314 -20.868 88.479 1.00 0.00 C ATOM 290 O LYS A 19 0.608 -21.757 87.706 1.00 0.00 O ATOM 291 CB LYS A 19 1.608 -20.821 90.625 1.00 0.00 C ATOM 292 CG LYS A 19 2.246 -22.200 90.416 1.00 0.00 C ATOM 293 CD LYS A 19 3.023 -22.603 91.678 1.00 0.00 C ATOM 294 CE LYS A 19 4.455 -22.069 91.594 1.00 0.00 C ATOM 295 NZ LYS A 19 5.212 -22.483 92.807 1.00 0.00 N ATOM 0 H LYS A 19 0.820 -18.493 90.518 1.00 0.00 H new ATOM 0 HA LYS A 19 2.310 -20.125 88.697 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.251 -20.208 91.257 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.657 -20.929 91.147 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.475 -22.940 90.199 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.916 -22.176 89.556 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.528 -22.206 92.564 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.035 -23.688 91.779 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.945 -22.451 90.699 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.445 -20.982 91.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.185 -22.120 92.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.748 -22.098 93.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.233 -23.521 92.866 1.00 0.00 H new ATOM 309 N ASP A 20 -0.926 -20.518 88.670 1.00 0.00 N ATOM 310 CA ASP A 20 -2.028 -21.206 87.936 1.00 0.00 C ATOM 311 C ASP A 20 -2.019 -20.817 86.450 1.00 0.00 C ATOM 312 O ASP A 20 -2.159 -21.654 85.575 1.00 0.00 O ATOM 313 CB ASP A 20 -3.376 -20.808 88.549 1.00 0.00 C ATOM 314 CG ASP A 20 -4.466 -21.756 88.041 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.182 -22.934 87.902 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.567 -21.286 87.800 1.00 0.00 O ATOM 0 H ASP A 20 -1.227 -19.780 89.307 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.879 -22.283 88.020 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.320 -20.850 89.637 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.620 -19.780 88.282 1.00 0.00 H new ATOM 321 N TYR A 21 -1.891 -19.550 86.158 1.00 0.00 N ATOM 322 CA TYR A 21 -1.915 -19.100 84.732 1.00 0.00 C ATOM 323 C TYR A 21 -0.764 -19.720 83.927 1.00 0.00 C ATOM 324 O TYR A 21 -0.988 -20.302 82.885 1.00 0.00 O ATOM 325 CB TYR A 21 -1.829 -17.574 84.682 1.00 0.00 C ATOM 326 CG TYR A 21 -3.138 -16.995 85.170 1.00 0.00 C ATOM 327 CD1 TYR A 21 -4.198 -16.805 84.275 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.292 -16.653 86.519 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.414 -16.278 84.730 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.508 -16.128 86.974 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.568 -15.937 86.079 1.00 0.00 C ATOM 332 OH TYR A 21 -6.766 -15.418 86.529 1.00 0.00 O ATOM 0 H TYR A 21 -1.771 -18.805 86.845 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.850 -19.433 84.281 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.006 -17.222 85.304 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.625 -17.241 83.664 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.078 -17.065 83.234 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.473 -16.794 87.209 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.232 -16.135 84.040 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.628 -15.870 88.016 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.704 -15.237 87.490 1.00 0.00 H new ATOM 342 N VAL A 22 0.460 -19.602 84.371 1.00 0.00 N ATOM 343 CA VAL A 22 1.574 -20.200 83.579 1.00 0.00 C ATOM 344 C VAL A 22 1.444 -21.727 83.607 1.00 0.00 C ATOM 345 O VAL A 22 2.002 -22.418 82.777 1.00 0.00 O ATOM 346 CB VAL A 22 2.937 -19.747 84.124 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.524 -20.813 85.054 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.893 -19.521 82.949 1.00 0.00 C ATOM 0 H VAL A 22 0.733 -19.127 85.231 1.00 0.00 H new ATOM 0 HA VAL A 22 1.510 -19.857 82.546 1.00 0.00 H new ATOM 0 HB VAL A 22 2.805 -18.823 84.688 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.489 -20.475 85.431 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.846 -20.979 85.891 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.655 -21.744 84.503 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.864 -19.199 83.326 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.010 -20.450 82.392 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.486 -18.753 82.292 1.00 0.00 H new ATOM 358 N ALA A 23 0.685 -22.259 84.532 1.00 0.00 N ATOM 359 CA ALA A 23 0.498 -23.734 84.564 1.00 0.00 C ATOM 360 C ALA A 23 -0.107 -24.131 83.221 1.00 0.00 C ATOM 361 O ALA A 23 0.017 -25.249 82.764 1.00 0.00 O ATOM 362 CB ALA A 23 -0.474 -24.118 85.684 1.00 0.00 C ATOM 0 H ALA A 23 0.193 -21.738 85.258 1.00 0.00 H new ATOM 0 HA ALA A 23 1.448 -24.238 84.743 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.604 -25.200 85.698 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.073 -23.788 86.642 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.438 -23.640 85.509 1.00 0.00 H new ATOM 368 N LYS A 24 -0.755 -23.194 82.585 1.00 0.00 N ATOM 369 CA LYS A 24 -1.374 -23.462 81.263 1.00 0.00 C ATOM 370 C LYS A 24 -0.310 -23.992 80.301 1.00 0.00 C ATOM 371 O LYS A 24 -0.186 -25.183 80.093 1.00 0.00 O ATOM 372 CB LYS A 24 -1.944 -22.150 80.716 1.00 0.00 C ATOM 373 CG LYS A 24 -3.165 -21.729 81.542 1.00 0.00 C ATOM 374 CD LYS A 24 -4.412 -22.422 80.989 1.00 0.00 C ATOM 375 CE LYS A 24 -5.399 -22.686 82.127 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.609 -21.433 82.911 1.00 0.00 N ATOM 0 H LYS A 24 -0.882 -22.243 82.932 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.168 -24.202 81.365 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.183 -21.370 80.751 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.226 -22.273 79.670 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.020 -21.996 82.589 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.289 -20.647 81.504 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.879 -21.799 80.226 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.136 -23.361 80.508 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.349 -23.038 81.724 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.018 -23.474 82.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.498 -21.504 83.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.816 -21.299 83.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.660 -20.622 82.262 1.00 0.00 H new ATOM 390 N GLY A 25 0.461 -23.118 79.712 1.00 0.00 N ATOM 391 CA GLY A 25 1.517 -23.582 78.765 1.00 0.00 C ATOM 392 C GLY A 25 2.536 -22.474 78.488 1.00 0.00 C ATOM 393 O GLY A 25 2.533 -21.863 77.441 1.00 0.00 O ATOM 0 H GLY A 25 0.407 -22.108 79.844 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.025 -24.452 79.181 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.057 -23.899 77.829 1.00 0.00 H new ATOM 397 N GLU A 26 3.417 -22.241 79.419 1.00 0.00 N ATOM 398 CA GLU A 26 4.482 -21.201 79.246 1.00 0.00 C ATOM 399 C GLU A 26 3.995 -20.013 78.410 1.00 0.00 C ATOM 400 O GLU A 26 3.891 -20.082 77.200 1.00 0.00 O ATOM 401 CB GLU A 26 5.722 -21.821 78.589 1.00 0.00 C ATOM 402 CG GLU A 26 5.311 -22.817 77.504 1.00 0.00 C ATOM 403 CD GLU A 26 6.566 -23.347 76.809 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.352 -22.534 76.350 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.723 -24.555 76.750 1.00 0.00 O ATOM 0 H GLU A 26 3.449 -22.734 80.311 1.00 0.00 H new ATOM 0 HA GLU A 26 4.737 -20.828 80.238 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.342 -21.036 78.155 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.327 -22.325 79.343 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.748 -23.641 77.943 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.655 -22.334 76.779 1.00 0.00 H new ATOM 412 N ASP A 27 3.738 -18.909 79.052 1.00 0.00 N ATOM 413 CA ASP A 27 3.301 -17.682 78.329 1.00 0.00 C ATOM 414 C ASP A 27 3.966 -16.489 79.008 1.00 0.00 C ATOM 415 O ASP A 27 3.472 -15.380 78.993 1.00 0.00 O ATOM 416 CB ASP A 27 1.777 -17.539 78.406 1.00 0.00 C ATOM 417 CG ASP A 27 1.292 -16.621 77.281 1.00 0.00 C ATOM 418 OD1 ASP A 27 2.038 -15.733 76.903 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.182 -16.823 76.815 1.00 0.00 O ATOM 0 H ASP A 27 3.813 -18.803 80.064 1.00 0.00 H new ATOM 0 HA ASP A 27 3.585 -17.738 77.278 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.305 -18.518 78.320 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.488 -17.129 79.374 1.00 0.00 H new ATOM 424 N VAL A 28 5.090 -16.732 79.621 1.00 0.00 N ATOM 425 CA VAL A 28 5.818 -15.649 80.332 1.00 0.00 C ATOM 426 C VAL A 28 6.592 -14.799 79.318 1.00 0.00 C ATOM 427 O VAL A 28 7.802 -14.860 79.226 1.00 0.00 O ATOM 428 CB VAL A 28 6.776 -16.296 81.337 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.990 -17.281 82.209 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.875 -17.058 80.584 1.00 0.00 C ATOM 0 H VAL A 28 5.539 -17.647 79.659 1.00 0.00 H new ATOM 0 HA VAL A 28 5.120 -14.999 80.859 1.00 0.00 H new ATOM 0 HB VAL A 28 7.230 -15.525 81.959 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.663 -17.747 82.928 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.203 -16.747 82.742 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.544 -18.050 81.578 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.556 -17.518 81.301 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.422 -17.833 79.965 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.429 -16.366 79.950 1.00 0.00 H new ATOM 440 N ASN A 29 5.892 -14.002 78.564 1.00 0.00 N ATOM 441 CA ASN A 29 6.555 -13.141 77.546 1.00 0.00 C ATOM 442 C ASN A 29 5.571 -12.062 77.077 1.00 0.00 C ATOM 443 O ASN A 29 5.909 -11.221 76.271 1.00 0.00 O ATOM 444 CB ASN A 29 6.963 -13.990 76.332 1.00 0.00 C ATOM 445 CG ASN A 29 7.842 -15.159 76.773 1.00 0.00 C ATOM 446 OD1 ASN A 29 7.276 -16.222 77.260 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 9.052 -15.108 76.662 1.00 0.00 N flip ATOM 0 H ASN A 29 4.877 -13.909 78.609 1.00 0.00 H new ATOM 0 HA ASN A 29 7.438 -12.681 77.989 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.073 -14.366 75.827 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.501 -13.373 75.613 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.494 -14.272 76.279 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.625 -15.901 76.952 1.00 0.00 H new ATOM 454 N ARG A 30 4.356 -12.069 77.575 1.00 0.00 N ATOM 455 CA ARG A 30 3.371 -11.033 77.148 1.00 0.00 C ATOM 456 C ARG A 30 3.135 -10.030 78.280 1.00 0.00 C ATOM 457 O ARG A 30 3.058 -10.378 79.442 1.00 0.00 O ATOM 458 CB ARG A 30 2.039 -11.687 76.787 1.00 0.00 C ATOM 459 CG ARG A 30 1.557 -12.546 77.958 1.00 0.00 C ATOM 460 CD ARG A 30 0.184 -12.059 78.422 1.00 0.00 C ATOM 461 NE ARG A 30 -0.265 -12.865 79.604 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.389 -14.164 79.539 1.00 0.00 C ATOM 463 NH1 ARG A 30 -0.276 -14.783 78.394 1.00 0.00 N ATOM 464 NH2 ARG A 30 -0.674 -14.847 80.615 1.00 0.00 N ATOM 0 H ARG A 30 4.009 -12.745 78.255 1.00 0.00 H new ATOM 0 HA ARG A 30 3.775 -10.517 76.277 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.298 -10.922 76.554 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.154 -12.302 75.894 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.500 -13.592 77.655 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.270 -12.491 78.780 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.233 -11.003 78.687 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.538 -12.151 77.611 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.479 -12.388 80.480 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.090 -14.252 77.543 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.374 -15.797 78.351 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.800 -14.366 81.506 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.771 -15.861 80.565 1.00 0.00 H new ATOM 478 N THR A 31 3.003 -8.790 77.932 1.00 0.00 N ATOM 479 CA THR A 31 2.745 -7.733 78.957 1.00 0.00 C ATOM 480 C THR A 31 1.391 -8.016 79.624 1.00 0.00 C ATOM 481 O THR A 31 0.384 -8.139 78.957 1.00 0.00 O ATOM 482 CB THR A 31 2.711 -6.366 78.270 1.00 0.00 C ATOM 483 OG1 THR A 31 3.989 -6.087 77.712 1.00 0.00 O ATOM 484 CG2 THR A 31 2.358 -5.290 79.292 1.00 0.00 C ATOM 0 H THR A 31 3.062 -8.451 76.972 1.00 0.00 H new ATOM 0 HA THR A 31 3.532 -7.735 79.711 1.00 0.00 H new ATOM 0 HB THR A 31 1.961 -6.375 77.479 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.969 -5.213 77.270 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.334 -4.317 78.802 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.380 -5.504 79.722 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.108 -5.280 80.083 1.00 0.00 H new ATOM 492 N LEU A 32 1.350 -8.143 80.926 1.00 0.00 N ATOM 493 CA LEU A 32 0.040 -8.445 81.583 1.00 0.00 C ATOM 494 C LEU A 32 -0.896 -7.231 81.522 1.00 0.00 C ATOM 495 O LEU A 32 -2.078 -7.371 81.273 1.00 0.00 O ATOM 496 CB LEU A 32 0.214 -8.946 83.045 1.00 0.00 C ATOM 497 CG LEU A 32 1.069 -8.018 83.945 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.449 -7.762 83.341 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.360 -6.680 84.192 1.00 0.00 C ATOM 0 H LEU A 32 2.149 -8.053 81.553 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.418 -9.260 81.023 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.772 -9.061 83.496 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.673 -9.935 83.025 1.00 0.00 H new ATOM 0 HG LEU A 32 1.198 -8.533 84.897 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.019 -7.107 84.000 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.977 -8.709 83.225 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.337 -7.287 82.366 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.983 -6.050 84.826 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.187 -6.179 83.240 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.595 -6.860 84.686 1.00 0.00 H new ATOM 511 N GLU A 33 -0.400 -6.044 81.727 1.00 0.00 N ATOM 512 CA GLU A 33 -1.291 -4.847 81.658 1.00 0.00 C ATOM 513 C GLU A 33 -1.431 -4.399 80.201 1.00 0.00 C ATOM 514 O GLU A 33 -2.281 -4.867 79.471 1.00 0.00 O ATOM 515 CB GLU A 33 -0.690 -3.717 82.494 1.00 0.00 C ATOM 516 CG GLU A 33 -1.598 -2.485 82.430 1.00 0.00 C ATOM 517 CD GLU A 33 -2.972 -2.822 83.015 1.00 0.00 C ATOM 518 OE1 GLU A 33 -3.080 -2.881 84.229 1.00 0.00 O ATOM 519 OE2 GLU A 33 -3.894 -3.013 82.238 1.00 0.00 O ATOM 0 H GLU A 33 0.578 -5.848 81.939 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.276 -5.100 82.051 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.573 -4.040 83.528 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.304 -3.467 82.123 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.148 -1.661 82.985 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.704 -2.153 81.397 1.00 0.00 H new ATOM 526 N GLY A 34 -0.590 -3.495 79.773 1.00 0.00 N ATOM 527 CA GLY A 34 -0.650 -3.011 78.364 1.00 0.00 C ATOM 528 C GLY A 34 0.744 -2.546 77.955 1.00 0.00 C ATOM 529 O GLY A 34 1.097 -2.531 76.791 1.00 0.00 O ATOM 0 H GLY A 34 0.140 -3.069 80.343 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.993 -3.807 77.704 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.364 -2.193 78.274 1.00 0.00 H new ATOM 533 N GLY A 35 1.540 -2.180 78.917 1.00 0.00 N ATOM 534 CA GLY A 35 2.928 -1.723 78.627 1.00 0.00 C ATOM 535 C GLY A 35 3.787 -1.914 79.878 1.00 0.00 C ATOM 536 O GLY A 35 4.717 -1.170 80.124 1.00 0.00 O ATOM 0 H GLY A 35 1.286 -2.177 79.905 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.345 -2.290 77.794 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.925 -0.674 78.329 1.00 0.00 H new ATOM 540 N ARG A 36 3.478 -2.908 80.676 1.00 0.00 N ATOM 541 CA ARG A 36 4.266 -3.157 81.921 1.00 0.00 C ATOM 542 C ARG A 36 5.016 -4.492 81.811 1.00 0.00 C ATOM 543 O ARG A 36 5.234 -5.010 80.731 1.00 0.00 O ATOM 544 CB ARG A 36 3.321 -3.202 83.129 1.00 0.00 C ATOM 545 CG ARG A 36 2.410 -1.966 83.135 1.00 0.00 C ATOM 546 CD ARG A 36 3.151 -0.777 83.754 1.00 0.00 C ATOM 547 NE ARG A 36 4.096 -0.200 82.758 1.00 0.00 N ATOM 548 CZ ARG A 36 4.602 0.986 82.953 1.00 0.00 C ATOM 549 NH1 ARG A 36 4.284 1.667 84.020 1.00 0.00 N ATOM 550 NH2 ARG A 36 5.427 1.496 82.081 1.00 0.00 N ATOM 0 H ARG A 36 2.710 -3.560 80.516 1.00 0.00 H new ATOM 0 HA ARG A 36 4.987 -2.350 82.050 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.716 -4.108 83.094 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.900 -3.241 84.052 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.103 -1.725 82.117 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.502 -2.175 83.701 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.437 -0.018 84.074 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.695 -1.098 84.642 1.00 0.00 H new ATOM 0 HE ARG A 36 4.347 -0.732 81.925 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.638 1.272 84.704 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.681 2.594 84.170 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.677 0.967 81.245 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.822 2.424 82.235 1.00 0.00 H new ATOM 564 N LYS A 37 5.430 -5.039 82.928 1.00 0.00 N ATOM 565 CA LYS A 37 6.187 -6.330 82.923 1.00 0.00 C ATOM 566 C LYS A 37 5.710 -7.216 84.087 1.00 0.00 C ATOM 567 O LYS A 37 5.614 -6.732 85.195 1.00 0.00 O ATOM 568 CB LYS A 37 7.670 -6.012 83.137 1.00 0.00 C ATOM 569 CG LYS A 37 8.280 -5.470 81.843 1.00 0.00 C ATOM 570 CD LYS A 37 8.719 -6.634 80.957 1.00 0.00 C ATOM 571 CE LYS A 37 9.050 -6.120 79.562 1.00 0.00 C ATOM 572 NZ LYS A 37 9.418 -7.277 78.704 1.00 0.00 N ATOM 0 H LYS A 37 5.274 -4.641 83.854 1.00 0.00 H new ATOM 0 HA LYS A 37 6.027 -6.849 81.978 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.782 -5.279 83.936 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.202 -6.910 83.451 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.552 -4.853 81.316 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.133 -4.831 82.071 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.590 -7.125 81.390 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.927 -7.381 80.902 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.194 -5.594 79.140 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.872 -5.406 79.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.482 -6.968 77.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.337 -7.656 79.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.693 -8.017 78.790 1.00 0.00 H new ATOM 586 N PRO A 38 5.469 -8.491 83.847 1.00 0.00 N ATOM 587 CA PRO A 38 5.058 -9.403 84.933 1.00 0.00 C ATOM 588 C PRO A 38 6.315 -9.799 85.718 1.00 0.00 C ATOM 589 O PRO A 38 6.361 -10.809 86.400 1.00 0.00 O ATOM 590 CB PRO A 38 4.501 -10.631 84.208 1.00 0.00 C ATOM 591 CG PRO A 38 4.990 -10.545 82.736 1.00 0.00 C ATOM 592 CD PRO A 38 5.536 -9.120 82.513 1.00 0.00 C ATOM 0 HA PRO A 38 4.334 -8.966 85.621 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.852 -11.550 84.679 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.412 -10.645 84.253 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.765 -11.287 82.545 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.172 -10.755 82.047 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.558 -9.140 82.134 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.936 -8.574 81.785 1.00 0.00 H new ATOM 600 N LEU A 39 7.329 -8.978 85.615 1.00 0.00 N ATOM 601 CA LEU A 39 8.617 -9.219 86.326 1.00 0.00 C ATOM 602 C LEU A 39 8.932 -7.951 87.129 1.00 0.00 C ATOM 603 O LEU A 39 9.681 -7.963 88.083 1.00 0.00 O ATOM 604 CB LEU A 39 9.719 -9.483 85.274 1.00 0.00 C ATOM 605 CG LEU A 39 11.015 -10.092 85.879 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.765 -10.760 87.234 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.571 -11.141 84.901 1.00 0.00 C ATOM 0 H LEU A 39 7.315 -8.128 85.051 1.00 0.00 H new ATOM 0 HA LEU A 39 8.560 -10.079 86.993 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.330 -10.159 84.512 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.965 -8.547 84.774 1.00 0.00 H new ATOM 0 HG LEU A 39 11.725 -9.280 86.036 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.700 -11.170 87.616 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.378 -10.023 87.937 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.038 -11.564 87.115 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.481 -11.577 85.313 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.830 -11.926 84.749 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.797 -10.665 83.947 1.00 0.00 H new ATOM 619 N HIS A 40 8.330 -6.853 86.741 1.00 0.00 N ATOM 620 CA HIS A 40 8.547 -5.566 87.458 1.00 0.00 C ATOM 621 C HIS A 40 7.803 -5.629 88.794 1.00 0.00 C ATOM 622 O HIS A 40 8.355 -5.332 89.832 1.00 0.00 O ATOM 623 CB HIS A 40 7.999 -4.419 86.602 1.00 0.00 C ATOM 624 CG HIS A 40 7.903 -3.167 87.428 1.00 0.00 C ATOM 625 ND1 HIS A 40 6.867 -2.954 88.320 1.00 0.00 N ATOM 626 CD2 HIS A 40 8.703 -2.055 87.506 1.00 0.00 C ATOM 627 CE1 HIS A 40 7.066 -1.754 88.893 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.172 -1.162 88.433 1.00 0.00 N ATOM 0 H HIS A 40 7.691 -6.797 85.948 1.00 0.00 H new ATOM 0 HA HIS A 40 9.609 -5.398 87.637 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.650 -4.250 85.744 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.017 -4.683 86.210 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.606 -1.897 86.936 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.411 -1.321 89.635 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.546 -0.252 88.703 1.00 0.00 H new ATOM 636 N TYR A 41 6.562 -6.048 88.788 1.00 0.00 N ATOM 637 CA TYR A 41 5.828 -6.158 90.080 1.00 0.00 C ATOM 638 C TYR A 41 6.475 -7.279 90.877 1.00 0.00 C ATOM 639 O TYR A 41 6.665 -7.188 92.072 1.00 0.00 O ATOM 640 CB TYR A 41 4.366 -6.519 89.845 1.00 0.00 C ATOM 641 CG TYR A 41 3.813 -5.686 88.725 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.005 -6.077 87.396 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.104 -4.519 89.018 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.485 -5.295 86.358 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.587 -3.740 87.984 1.00 0.00 C ATOM 646 CZ TYR A 41 2.776 -4.127 86.654 1.00 0.00 C ATOM 647 OH TYR A 41 2.260 -3.358 85.634 1.00 0.00 O ATOM 0 H TYR A 41 6.034 -6.314 87.957 1.00 0.00 H new ATOM 0 HA TYR A 41 5.871 -5.204 90.606 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.277 -7.578 89.602 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.789 -6.352 90.755 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.553 -6.980 87.171 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.956 -4.220 90.045 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.631 -5.593 85.330 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.040 -2.837 88.211 1.00 0.00 H new ATOM 0 HH TYR A 41 1.795 -2.582 86.012 1.00 0.00 H new ATOM 657 N ALA A 42 6.833 -8.335 90.204 1.00 0.00 N ATOM 658 CA ALA A 42 7.488 -9.460 90.900 1.00 0.00 C ATOM 659 C ALA A 42 8.821 -8.951 91.419 1.00 0.00 C ATOM 660 O ALA A 42 9.093 -8.953 92.600 1.00 0.00 O ATOM 661 CB ALA A 42 7.733 -10.596 89.910 1.00 0.00 C ATOM 0 H ALA A 42 6.698 -8.462 89.201 1.00 0.00 H new ATOM 0 HA ALA A 42 6.865 -9.830 91.715 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.217 -11.427 90.423 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.781 -10.929 89.496 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.376 -10.244 89.104 1.00 0.00 H new ATOM 667 N ALA A 43 9.645 -8.479 90.535 1.00 0.00 N ATOM 668 CA ALA A 43 10.950 -7.935 90.968 1.00 0.00 C ATOM 669 C ALA A 43 10.700 -6.849 92.022 1.00 0.00 C ATOM 670 O ALA A 43 11.139 -6.945 93.151 1.00 0.00 O ATOM 671 CB ALA A 43 11.651 -7.303 89.761 1.00 0.00 C ATOM 0 H ALA A 43 9.470 -8.447 89.531 1.00 0.00 H new ATOM 0 HA ALA A 43 11.571 -8.729 91.383 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.615 -6.899 90.071 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.805 -8.060 88.992 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.032 -6.500 89.360 1.00 0.00 H new ATOM 677 N ASP A 44 10.000 -5.814 91.644 1.00 0.00 N ATOM 678 CA ASP A 44 9.713 -4.686 92.580 1.00 0.00 C ATOM 679 C ASP A 44 9.002 -5.158 93.857 1.00 0.00 C ATOM 680 O ASP A 44 9.230 -4.628 94.928 1.00 0.00 O ATOM 681 CB ASP A 44 8.829 -3.671 91.859 1.00 0.00 C ATOM 682 CG ASP A 44 8.741 -2.390 92.686 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.540 -2.496 93.885 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.876 -1.326 92.107 1.00 0.00 O ATOM 0 H ASP A 44 9.607 -5.700 90.710 1.00 0.00 H new ATOM 0 HA ASP A 44 10.662 -4.242 92.879 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.239 -3.452 90.873 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.833 -4.086 91.705 1.00 0.00 H new ATOM 689 N CYS A 45 8.135 -6.126 93.768 1.00 0.00 N ATOM 690 CA CYS A 45 7.411 -6.589 94.991 1.00 0.00 C ATOM 691 C CYS A 45 6.905 -8.006 94.762 1.00 0.00 C ATOM 692 O CYS A 45 5.717 -8.260 94.722 1.00 0.00 O ATOM 693 CB CYS A 45 6.211 -5.669 95.264 1.00 0.00 C ATOM 694 SG CYS A 45 6.464 -4.072 94.460 1.00 0.00 S ATOM 0 H CYS A 45 7.895 -6.617 92.907 1.00 0.00 H new ATOM 0 HA CYS A 45 8.089 -6.565 95.844 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.296 -6.131 94.894 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.086 -5.529 96.338 1.00 0.00 H new ATOM 0 HG CYS A 45 7.646 -3.620 94.756 1.00 0.00 H new ATOM 700 N GLY A 46 7.800 -8.930 94.596 1.00 0.00 N ATOM 701 CA GLY A 46 7.381 -10.341 94.353 1.00 0.00 C ATOM 702 C GLY A 46 7.787 -11.231 95.523 1.00 0.00 C ATOM 703 O GLY A 46 7.992 -12.419 95.353 1.00 0.00 O ATOM 0 H GLY A 46 8.808 -8.774 94.617 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.301 -10.386 94.212 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.838 -10.708 93.434 1.00 0.00 H new ATOM 707 N GLN A 47 7.938 -10.691 96.704 1.00 0.00 N ATOM 708 CA GLN A 47 8.369 -11.553 97.838 1.00 0.00 C ATOM 709 C GLN A 47 9.625 -12.295 97.373 1.00 0.00 C ATOM 710 O GLN A 47 10.071 -13.257 97.962 1.00 0.00 O ATOM 711 CB GLN A 47 7.243 -12.534 98.199 1.00 0.00 C ATOM 712 CG GLN A 47 6.170 -11.799 99.007 1.00 0.00 C ATOM 713 CD GLN A 47 5.770 -10.508 98.288 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.137 -10.581 97.149 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 6.031 -9.424 98.769 1.00 0.00 N flip ATOM 0 H GLN A 47 7.784 -9.708 96.928 1.00 0.00 H new ATOM 0 HA GLN A 47 8.586 -10.968 98.732 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.807 -12.955 97.293 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.643 -13.367 98.777 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.297 -12.439 99.136 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.547 -11.569 100.004 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.526 -9.367 99.659 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.756 -8.571 98.283 1.00 0.00 H new ATOM 724 N LEU A 48 10.189 -11.799 96.302 1.00 0.00 N ATOM 725 CA LEU A 48 11.432 -12.372 95.709 1.00 0.00 C ATOM 726 C LEU A 48 11.222 -13.818 95.269 1.00 0.00 C ATOM 727 O LEU A 48 12.131 -14.468 94.791 1.00 0.00 O ATOM 728 CB LEU A 48 12.567 -12.303 96.725 1.00 0.00 C ATOM 729 CG LEU A 48 13.062 -10.850 96.920 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.362 -9.875 95.972 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.800 -10.399 98.358 1.00 0.00 C ATOM 0 H LEU A 48 9.824 -10.991 95.798 1.00 0.00 H new ATOM 0 HA LEU A 48 11.689 -11.784 94.828 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.228 -12.705 97.680 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.394 -12.929 96.392 1.00 0.00 H new ATOM 0 HG LEU A 48 14.130 -10.842 96.701 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.740 -8.867 96.143 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.559 -10.166 94.940 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.288 -9.896 96.156 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.151 -9.375 98.488 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.731 -10.445 98.565 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.331 -11.055 99.048 1.00 0.00 H new ATOM 743 N GLU A 49 10.036 -14.320 95.399 1.00 0.00 N ATOM 744 CA GLU A 49 9.745 -15.717 94.956 1.00 0.00 C ATOM 745 C GLU A 49 9.065 -15.664 93.587 1.00 0.00 C ATOM 746 O GLU A 49 9.281 -16.500 92.730 1.00 0.00 O ATOM 747 CB GLU A 49 8.806 -16.407 95.950 1.00 0.00 C ATOM 748 CG GLU A 49 7.791 -15.392 96.468 1.00 0.00 C ATOM 749 CD GLU A 49 6.758 -16.096 97.351 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.055 -16.322 98.512 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.684 -16.392 96.852 1.00 0.00 O ATOM 0 H GLU A 49 9.240 -13.822 95.797 1.00 0.00 H new ATOM 0 HA GLU A 49 10.678 -16.278 94.902 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.293 -17.238 95.467 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.377 -16.824 96.779 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.299 -14.614 97.037 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.294 -14.902 95.631 1.00 0.00 H new ATOM 758 N ILE A 50 8.219 -14.686 93.402 1.00 0.00 N ATOM 759 CA ILE A 50 7.475 -14.551 92.115 1.00 0.00 C ATOM 760 C ILE A 50 8.419 -14.288 90.947 1.00 0.00 C ATOM 761 O ILE A 50 8.207 -14.785 89.864 1.00 0.00 O ATOM 762 CB ILE A 50 6.489 -13.389 92.224 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.605 -13.597 93.474 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.643 -13.310 90.941 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.124 -13.468 93.124 1.00 0.00 C ATOM 0 H ILE A 50 8.009 -13.967 94.095 1.00 0.00 H new ATOM 0 HA ILE A 50 6.950 -15.488 91.929 1.00 0.00 H new ATOM 0 HB ILE A 50 7.022 -12.445 92.332 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.797 -14.582 93.900 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.868 -12.863 94.236 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.940 -12.481 91.019 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.297 -13.152 90.083 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.092 -14.242 90.810 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.524 -13.619 94.021 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.931 -12.474 92.721 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.859 -14.219 92.380 1.00 0.00 H new ATOM 777 N LEU A 51 9.445 -13.511 91.126 1.00 0.00 N ATOM 778 CA LEU A 51 10.349 -13.249 89.972 1.00 0.00 C ATOM 779 C LEU A 51 10.959 -14.580 89.501 1.00 0.00 C ATOM 780 O LEU A 51 10.879 -14.933 88.346 1.00 0.00 O ATOM 781 CB LEU A 51 11.481 -12.231 90.287 1.00 0.00 C ATOM 782 CG LEU A 51 11.711 -11.979 91.791 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.447 -11.451 92.482 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.187 -13.259 92.471 1.00 0.00 C ATOM 0 H LEU A 51 9.696 -13.053 92.002 1.00 0.00 H new ATOM 0 HA LEU A 51 9.743 -12.797 89.187 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.410 -12.591 89.845 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.245 -11.283 89.804 1.00 0.00 H new ATOM 0 HG LEU A 51 12.481 -11.213 91.883 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.652 -11.287 93.540 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.146 -10.510 92.021 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.644 -12.180 92.377 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.346 -13.069 93.533 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.433 -14.037 92.350 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.122 -13.586 92.017 1.00 0.00 H new ATOM 796 N GLU A 52 11.562 -15.318 90.389 1.00 0.00 N ATOM 797 CA GLU A 52 12.177 -16.628 90.005 1.00 0.00 C ATOM 798 C GLU A 52 11.157 -17.509 89.271 1.00 0.00 C ATOM 799 O GLU A 52 11.504 -18.323 88.438 1.00 0.00 O ATOM 800 CB GLU A 52 12.613 -17.365 91.276 1.00 0.00 C ATOM 801 CG GLU A 52 13.960 -16.831 91.747 1.00 0.00 C ATOM 802 CD GLU A 52 14.193 -17.228 93.206 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.656 -18.333 93.428 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.911 -16.418 94.074 1.00 0.00 O ATOM 0 H GLU A 52 11.658 -15.072 91.374 1.00 0.00 H new ATOM 0 HA GLU A 52 13.028 -16.434 89.352 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.866 -17.233 92.058 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.684 -18.435 91.081 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.758 -17.228 91.120 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.987 -15.746 91.647 1.00 0.00 H new ATOM 811 N PHE A 53 9.912 -17.375 89.617 1.00 0.00 N ATOM 812 CA PHE A 53 8.835 -18.214 89.008 1.00 0.00 C ATOM 813 C PHE A 53 8.722 -18.005 87.489 1.00 0.00 C ATOM 814 O PHE A 53 9.275 -18.755 86.716 1.00 0.00 O ATOM 815 CB PHE A 53 7.527 -17.843 89.709 1.00 0.00 C ATOM 816 CG PHE A 53 6.311 -18.202 88.883 1.00 0.00 C ATOM 817 CD1 PHE A 53 5.872 -19.529 88.798 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.601 -17.186 88.225 1.00 0.00 C ATOM 819 CE1 PHE A 53 4.722 -19.836 88.060 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.459 -17.496 87.484 1.00 0.00 C ATOM 821 CZ PHE A 53 4.018 -18.815 87.403 1.00 0.00 C ATOM 0 H PHE A 53 9.583 -16.705 90.312 1.00 0.00 H new ATOM 0 HA PHE A 53 9.069 -19.270 89.145 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.475 -18.355 90.670 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.519 -16.773 89.917 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.419 -20.313 89.300 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.939 -16.162 88.292 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.377 -20.858 87.997 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.918 -16.713 86.974 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.132 -19.053 86.833 1.00 0.00 H new ATOM 831 N LEU A 54 7.976 -17.031 87.054 1.00 0.00 N ATOM 832 CA LEU A 54 7.802 -16.833 85.584 1.00 0.00 C ATOM 833 C LEU A 54 9.154 -16.689 84.878 1.00 0.00 C ATOM 834 O LEU A 54 9.226 -16.626 83.667 1.00 0.00 O ATOM 835 CB LEU A 54 6.904 -15.611 85.311 1.00 0.00 C ATOM 836 CG LEU A 54 7.525 -14.268 85.772 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.386 -14.439 87.024 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.367 -13.662 84.641 1.00 0.00 C ATOM 0 H LEU A 54 7.480 -16.365 87.646 1.00 0.00 H new ATOM 0 HA LEU A 54 7.313 -17.719 85.178 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.694 -15.557 84.243 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.949 -15.752 85.817 1.00 0.00 H new ATOM 0 HG LEU A 54 6.705 -13.595 86.021 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.802 -13.474 87.314 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.773 -14.828 87.837 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.197 -15.136 86.815 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.799 -12.719 84.975 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.166 -14.353 84.372 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.734 -13.484 83.772 1.00 0.00 H new ATOM 850 N LEU A 55 10.229 -16.654 85.608 1.00 0.00 N ATOM 851 CA LEU A 55 11.564 -16.525 84.954 1.00 0.00 C ATOM 852 C LEU A 55 12.162 -17.915 84.677 1.00 0.00 C ATOM 853 O LEU A 55 12.824 -18.121 83.679 1.00 0.00 O ATOM 854 CB LEU A 55 12.495 -15.739 85.878 1.00 0.00 C ATOM 855 CG LEU A 55 13.620 -15.075 85.077 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.411 -14.162 86.013 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.561 -16.144 84.507 1.00 0.00 C ATOM 0 H LEU A 55 10.246 -16.709 86.626 1.00 0.00 H new ATOM 0 HA LEU A 55 11.451 -16.001 84.005 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.927 -14.979 86.414 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.921 -16.407 86.627 1.00 0.00 H new ATOM 0 HG LEU A 55 13.193 -14.501 84.255 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.216 -13.681 85.458 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.748 -13.400 86.424 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.833 -14.752 86.826 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.357 -15.663 83.939 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.995 -16.720 85.324 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.000 -16.810 83.852 1.00 0.00 H new ATOM 869 N LEU A 56 11.944 -18.869 85.551 1.00 0.00 N ATOM 870 CA LEU A 56 12.525 -20.231 85.320 1.00 0.00 C ATOM 871 C LEU A 56 11.971 -20.801 84.020 1.00 0.00 C ATOM 872 O LEU A 56 12.673 -21.451 83.270 1.00 0.00 O ATOM 873 CB LEU A 56 12.240 -21.169 86.506 1.00 0.00 C ATOM 874 CG LEU A 56 10.748 -21.510 86.598 1.00 0.00 C ATOM 875 CD1 LEU A 56 10.500 -22.879 85.962 1.00 0.00 C ATOM 876 CD2 LEU A 56 10.340 -21.569 88.073 1.00 0.00 C ATOM 0 H LEU A 56 11.396 -18.766 86.405 1.00 0.00 H new ATOM 0 HA LEU A 56 13.608 -20.144 85.237 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.819 -22.086 86.395 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.565 -20.697 87.433 1.00 0.00 H new ATOM 0 HG LEU A 56 10.166 -20.750 86.077 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.440 -23.123 86.026 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.804 -22.854 84.915 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.080 -23.636 86.490 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.280 -21.811 88.148 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.924 -22.336 88.582 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.525 -20.602 88.541 1.00 0.00 H new ATOM 888 N LYS A 57 10.732 -20.537 83.718 1.00 0.00 N ATOM 889 CA LYS A 57 10.182 -21.038 82.432 1.00 0.00 C ATOM 890 C LYS A 57 10.846 -20.221 81.320 1.00 0.00 C ATOM 891 O LYS A 57 12.022 -20.374 81.058 1.00 0.00 O ATOM 892 CB LYS A 57 8.659 -20.859 82.400 1.00 0.00 C ATOM 893 CG LYS A 57 7.997 -22.136 82.921 1.00 0.00 C ATOM 894 CD LYS A 57 6.475 -22.012 82.840 1.00 0.00 C ATOM 895 CE LYS A 57 5.849 -23.388 83.085 1.00 0.00 C ATOM 896 NZ LYS A 57 4.373 -23.314 82.888 1.00 0.00 N ATOM 0 H LYS A 57 10.084 -20.003 84.298 1.00 0.00 H new ATOM 0 HA LYS A 57 10.386 -22.101 82.304 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.367 -20.006 83.013 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.326 -20.650 81.384 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.331 -22.993 82.336 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.300 -22.317 83.952 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.116 -21.298 83.581 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.180 -21.633 81.862 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.280 -24.120 82.402 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.074 -23.725 84.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.891 -23.647 83.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.097 -22.330 82.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.100 -23.914 82.084 1.00 0.00 H new ATOM 910 N GLY A 58 10.134 -19.324 80.694 1.00 0.00 N ATOM 911 CA GLY A 58 10.774 -18.480 79.653 1.00 0.00 C ATOM 912 C GLY A 58 11.709 -17.513 80.378 1.00 0.00 C ATOM 913 O GLY A 58 12.374 -17.895 81.320 1.00 0.00 O ATOM 0 H GLY A 58 9.144 -19.142 80.859 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.329 -19.095 78.944 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.022 -17.935 79.082 1.00 0.00 H new ATOM 917 N ALA A 59 11.752 -16.265 79.997 1.00 0.00 N ATOM 918 CA ALA A 59 12.642 -15.320 80.732 1.00 0.00 C ATOM 919 C ALA A 59 12.529 -13.896 80.180 1.00 0.00 C ATOM 920 O ALA A 59 13.265 -13.493 79.301 1.00 0.00 O ATOM 921 CB ALA A 59 14.105 -15.784 80.642 1.00 0.00 C ATOM 0 H ALA A 59 11.221 -15.864 79.224 1.00 0.00 H new ATOM 0 HA ALA A 59 12.321 -15.314 81.774 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.742 -15.085 81.183 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.200 -16.777 81.083 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.412 -15.820 79.597 1.00 0.00 H new ATOM 927 N ASP A 60 11.644 -13.119 80.739 1.00 0.00 N ATOM 928 CA ASP A 60 11.511 -11.703 80.315 1.00 0.00 C ATOM 929 C ASP A 60 12.681 -10.956 80.956 1.00 0.00 C ATOM 930 O ASP A 60 12.807 -9.748 80.882 1.00 0.00 O ATOM 931 CB ASP A 60 10.179 -11.152 80.834 1.00 0.00 C ATOM 932 CG ASP A 60 9.871 -9.819 80.156 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.614 -8.879 80.382 1.00 0.00 O ATOM 934 OD2 ASP A 60 8.896 -9.759 79.426 1.00 0.00 O ATOM 0 H ASP A 60 11.003 -13.409 81.477 1.00 0.00 H new ATOM 0 HA ASP A 60 11.526 -11.593 79.231 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.378 -11.865 80.636 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.227 -11.018 81.915 1.00 0.00 H new ATOM 939 N ILE A 61 13.528 -11.714 81.604 1.00 0.00 N ATOM 940 CA ILE A 61 14.718 -11.160 82.308 1.00 0.00 C ATOM 941 C ILE A 61 15.581 -10.347 81.353 1.00 0.00 C ATOM 942 O ILE A 61 16.275 -9.431 81.750 1.00 0.00 O ATOM 943 CB ILE A 61 15.530 -12.344 82.828 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.679 -11.852 83.705 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.099 -13.115 81.634 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.639 -13.014 83.979 1.00 0.00 C ATOM 0 H ILE A 61 13.438 -12.728 81.675 1.00 0.00 H new ATOM 0 HA ILE A 61 14.398 -10.505 83.119 1.00 0.00 H new ATOM 0 HB ILE A 61 14.885 -12.991 83.423 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.207 -11.038 83.209 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.292 -11.456 84.644 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.681 -13.964 81.993 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.281 -13.474 81.010 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.740 -12.457 81.048 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.461 -12.667 84.605 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.105 -13.814 84.492 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.035 -13.389 83.035 1.00 0.00 H new ATOM 958 N ASN A 62 15.559 -10.682 80.101 1.00 0.00 N ATOM 959 CA ASN A 62 16.394 -9.945 79.115 1.00 0.00 C ATOM 960 C ASN A 62 15.552 -9.588 77.888 1.00 0.00 C ATOM 961 O ASN A 62 15.668 -8.518 77.330 1.00 0.00 O ATOM 962 CB ASN A 62 17.574 -10.835 78.698 1.00 0.00 C ATOM 963 CG ASN A 62 17.043 -12.134 78.089 1.00 0.00 C ATOM 964 OD1 ASN A 62 16.007 -12.714 78.628 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.573 -12.624 77.110 1.00 0.00 N flip ATOM 0 H ASN A 62 14.996 -11.439 79.712 1.00 0.00 H new ATOM 0 HA ASN A 62 16.769 -9.025 79.564 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.200 -10.312 77.976 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.200 -11.056 79.562 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.383 -12.171 76.688 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.207 -13.488 76.711 1.00 0.00 H new ATOM 972 N ALA A 63 14.706 -10.486 77.481 1.00 0.00 N ATOM 973 CA ALA A 63 13.819 -10.264 76.287 1.00 0.00 C ATOM 974 C ALA A 63 13.584 -8.771 75.956 1.00 0.00 C ATOM 975 O ALA A 63 13.801 -8.368 74.833 1.00 0.00 O ATOM 976 CB ALA A 63 12.486 -10.947 76.549 1.00 0.00 C ATOM 0 H ALA A 63 14.582 -11.392 77.932 1.00 0.00 H new ATOM 0 HA ALA A 63 14.325 -10.688 75.420 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.827 -10.798 75.694 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.648 -12.014 76.701 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.027 -10.519 77.440 1.00 0.00 H new ATOM 982 N PRO A 64 13.161 -7.994 76.927 1.00 0.00 N ATOM 983 CA PRO A 64 12.898 -6.560 76.762 1.00 0.00 C ATOM 984 C PRO A 64 13.544 -5.966 75.508 1.00 0.00 C ATOM 985 O PRO A 64 14.712 -6.159 75.224 1.00 0.00 O ATOM 986 CB PRO A 64 13.465 -6.009 78.066 1.00 0.00 C ATOM 987 CG PRO A 64 13.320 -7.169 79.105 1.00 0.00 C ATOM 988 CD PRO A 64 12.919 -8.427 78.307 1.00 0.00 C ATOM 0 HA PRO A 64 11.848 -6.314 76.602 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.508 -5.716 77.948 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.919 -5.122 78.388 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.257 -7.331 79.639 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.565 -6.927 79.853 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.524 -9.293 78.576 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.877 -8.702 78.473 1.00 0.00 H new ATOM 996 N ASP A 65 12.742 -5.256 74.749 1.00 0.00 N ATOM 997 CA ASP A 65 13.202 -4.622 73.476 1.00 0.00 C ATOM 998 C ASP A 65 12.756 -3.151 73.449 1.00 0.00 C ATOM 999 O ASP A 65 13.550 -2.254 73.236 1.00 0.00 O ATOM 1000 CB ASP A 65 12.556 -5.357 72.299 1.00 0.00 C ATOM 1001 CG ASP A 65 13.263 -6.692 72.072 1.00 0.00 C ATOM 1002 OD1 ASP A 65 12.892 -7.656 72.723 1.00 0.00 O ATOM 1003 OD2 ASP A 65 14.161 -6.731 71.247 1.00 0.00 O ATOM 0 H ASP A 65 11.760 -5.087 74.968 1.00 0.00 H new ATOM 0 HA ASP A 65 14.288 -4.678 73.407 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.498 -5.525 72.500 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.617 -4.745 71.399 1.00 0.00 H new ATOM 1008 N LYS A 66 11.488 -2.899 73.660 1.00 0.00 N ATOM 1009 CA LYS A 66 10.977 -1.507 73.650 1.00 0.00 C ATOM 1010 C LYS A 66 11.170 -0.893 75.035 1.00 0.00 C ATOM 1011 O LYS A 66 11.199 0.311 75.202 1.00 0.00 O ATOM 1012 CB LYS A 66 9.493 -1.540 73.300 1.00 0.00 C ATOM 1013 CG LYS A 66 9.048 -0.149 72.866 1.00 0.00 C ATOM 1014 CD LYS A 66 9.280 0.029 71.363 1.00 0.00 C ATOM 1015 CE LYS A 66 8.740 1.390 70.923 1.00 0.00 C ATOM 1016 NZ LYS A 66 7.251 1.385 70.999 1.00 0.00 N ATOM 0 H LYS A 66 10.782 -3.612 73.840 1.00 0.00 H new ATOM 0 HA LYS A 66 11.516 -0.908 72.916 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.312 -2.258 72.501 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.911 -1.868 74.161 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.993 -0.006 73.099 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.602 0.609 73.420 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.344 -0.043 71.137 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.782 -0.768 70.810 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.144 2.176 71.560 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.062 1.608 69.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.870 2.147 70.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.889 0.469 70.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.953 1.536 71.984 1.00 0.00 H new ATOM 1030 N HIS A 67 11.315 -1.724 76.026 1.00 0.00 N ATOM 1031 CA HIS A 67 11.524 -1.233 77.410 1.00 0.00 C ATOM 1032 C HIS A 67 12.987 -0.842 77.574 1.00 0.00 C ATOM 1033 O HIS A 67 13.400 -0.350 78.604 1.00 0.00 O ATOM 1034 CB HIS A 67 11.177 -2.363 78.376 1.00 0.00 C ATOM 1035 CG HIS A 67 9.910 -3.028 77.919 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.676 -4.022 77.003 1.00 0.00 N flip ATOM 1037 CD2 HIS A 67 8.665 -2.673 78.417 1.00 0.00 C flip ATOM 1038 CE1 HIS A 67 8.312 -4.283 76.930 1.00 0.00 C flip ATOM 1039 NE2 HIS A 67 7.748 -3.442 77.802 1.00 0.00 N flip ATOM 0 H HIS A 67 11.297 -2.739 75.932 1.00 0.00 H new ATOM 0 HA HIS A 67 10.894 -0.367 77.615 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.990 -3.088 78.414 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.053 -1.970 79.385 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.468 -1.917 79.163 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.815 -5.009 76.303 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.745 -3.389 77.980 1.00 0.00 H new ATOM 1047 N HIS A 68 13.769 -1.050 76.551 1.00 0.00 N ATOM 1048 CA HIS A 68 15.211 -0.694 76.620 1.00 0.00 C ATOM 1049 C HIS A 68 15.769 -1.028 77.997 1.00 0.00 C ATOM 1050 O HIS A 68 16.759 -0.470 78.422 1.00 0.00 O ATOM 1051 CB HIS A 68 15.378 0.805 76.361 1.00 0.00 C ATOM 1052 CG HIS A 68 14.953 1.122 74.956 1.00 0.00 C ATOM 1053 ND1 HIS A 68 14.544 0.138 74.069 1.00 0.00 N ATOM 1054 CD2 HIS A 68 14.868 2.306 74.267 1.00 0.00 C ATOM 1055 CE1 HIS A 68 14.234 0.743 72.908 1.00 0.00 C ATOM 1056 NE2 HIS A 68 14.413 2.065 72.974 1.00 0.00 N ATOM 0 H HIS A 68 13.467 -1.454 75.665 1.00 0.00 H new ATOM 0 HA HIS A 68 15.753 -1.265 75.866 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.780 1.376 77.071 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.417 1.097 76.512 1.00 0.00 H new ATOM 0 HD1 HIS A 68 14.488 -0.862 74.262 1.00 0.00 H new ATOM 0 HD2 HIS A 68 15.117 3.278 74.668 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.883 0.223 72.029 1.00 0.00 H new ATOM 1064 N ILE A 69 15.157 -1.935 78.710 1.00 0.00 N ATOM 1065 CA ILE A 69 15.702 -2.260 80.048 1.00 0.00 C ATOM 1066 C ILE A 69 15.277 -3.654 80.504 1.00 0.00 C ATOM 1067 O ILE A 69 14.242 -4.179 80.134 1.00 0.00 O ATOM 1068 CB ILE A 69 15.229 -1.215 81.065 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.443 -0.633 81.797 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.275 -1.860 82.077 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.197 -1.737 82.549 1.00 0.00 C ATOM 0 H ILE A 69 14.323 -2.451 78.429 1.00 0.00 H new ATOM 0 HA ILE A 69 16.790 -2.247 79.981 1.00 0.00 H new ATOM 0 HB ILE A 69 14.701 -0.418 80.542 1.00 0.00 H new ATOM 0 HG12 ILE A 69 17.110 -0.151 81.082 1.00 0.00 H new ATOM 0 HG13 ILE A 69 16.118 0.136 82.498 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.945 -1.109 82.795 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.410 -2.267 81.553 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.791 -2.663 82.603 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.056 -1.306 83.063 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.532 -2.200 83.279 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.539 -2.491 81.841 1.00 0.00 H new ATOM 1083 N THR A 70 16.087 -4.227 81.345 1.00 0.00 N ATOM 1084 CA THR A 70 15.805 -5.560 81.910 1.00 0.00 C ATOM 1085 C THR A 70 15.384 -5.327 83.377 1.00 0.00 C ATOM 1086 O THR A 70 15.676 -4.286 83.932 1.00 0.00 O ATOM 1087 CB THR A 70 17.078 -6.406 81.781 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.111 -7.406 82.781 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.299 -5.489 81.905 1.00 0.00 C ATOM 0 H THR A 70 16.958 -3.808 81.670 1.00 0.00 H new ATOM 0 HA THR A 70 15.008 -6.096 81.395 1.00 0.00 H new ATOM 0 HB THR A 70 17.089 -6.900 80.809 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.205 -8.286 82.360 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.210 -6.081 81.815 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.273 -4.740 81.114 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.284 -4.992 82.875 1.00 0.00 H new ATOM 1097 N PRO A 71 14.644 -6.240 83.944 1.00 0.00 N ATOM 1098 CA PRO A 71 14.106 -6.081 85.314 1.00 0.00 C ATOM 1099 C PRO A 71 15.176 -6.066 86.431 1.00 0.00 C ATOM 1100 O PRO A 71 14.879 -5.660 87.534 1.00 0.00 O ATOM 1101 CB PRO A 71 13.155 -7.282 85.480 1.00 0.00 C ATOM 1102 CG PRO A 71 13.022 -7.940 84.085 1.00 0.00 C ATOM 1103 CD PRO A 71 14.254 -7.504 83.293 1.00 0.00 C ATOM 0 HA PRO A 71 13.621 -5.110 85.420 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.551 -7.992 86.206 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.182 -6.957 85.849 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.976 -9.026 84.169 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.106 -7.620 83.589 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.050 -8.247 83.346 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.023 -7.359 82.238 1.00 0.00 H new ATOM 1111 N LEU A 72 16.397 -6.492 86.219 1.00 0.00 N ATOM 1112 CA LEU A 72 17.352 -6.444 87.372 1.00 0.00 C ATOM 1113 C LEU A 72 17.432 -5.009 87.876 1.00 0.00 C ATOM 1114 O LEU A 72 17.479 -4.771 89.062 1.00 0.00 O ATOM 1115 CB LEU A 72 18.779 -6.931 87.013 1.00 0.00 C ATOM 1116 CG LEU A 72 18.811 -7.829 85.767 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.558 -8.716 85.682 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.940 -6.957 84.519 1.00 0.00 C ATOM 0 H LEU A 72 16.764 -6.856 85.339 1.00 0.00 H new ATOM 0 HA LEU A 72 16.970 -7.122 88.135 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.421 -6.066 86.847 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.194 -7.478 87.859 1.00 0.00 H new ATOM 0 HG LEU A 72 19.673 -8.493 85.837 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.613 -9.339 84.789 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.502 -9.352 86.565 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.669 -8.087 85.632 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.963 -7.591 83.633 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.088 -6.280 84.459 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.861 -6.377 84.574 1.00 0.00 H new ATOM 1130 N LEU A 73 17.427 -4.049 86.987 1.00 0.00 N ATOM 1131 CA LEU A 73 17.485 -2.635 87.448 1.00 0.00 C ATOM 1132 C LEU A 73 16.150 -2.276 88.095 1.00 0.00 C ATOM 1133 O LEU A 73 16.071 -1.437 88.965 1.00 0.00 O ATOM 1134 CB LEU A 73 17.779 -1.698 86.279 1.00 0.00 C ATOM 1135 CG LEU A 73 19.126 -2.085 85.647 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.922 -3.199 84.617 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.732 -0.872 84.944 1.00 0.00 C ATOM 0 H LEU A 73 17.386 -4.182 85.977 1.00 0.00 H new ATOM 0 HA LEU A 73 18.289 -2.522 88.175 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.984 -1.763 85.537 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.809 -0.665 86.624 1.00 0.00 H new ATOM 0 HG LEU A 73 19.794 -2.432 86.435 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.882 -3.466 84.175 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.492 -4.073 85.107 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.246 -2.852 83.835 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.687 -1.150 84.497 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.053 -0.527 84.164 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.889 -0.073 85.668 1.00 0.00 H new ATOM 1149 N SER A 74 15.095 -2.924 87.697 1.00 0.00 N ATOM 1150 CA SER A 74 13.787 -2.628 88.323 1.00 0.00 C ATOM 1151 C SER A 74 13.914 -2.820 89.840 1.00 0.00 C ATOM 1152 O SER A 74 13.512 -1.981 90.628 1.00 0.00 O ATOM 1153 CB SER A 74 12.731 -3.575 87.758 1.00 0.00 C ATOM 1154 OG SER A 74 11.452 -3.207 88.250 1.00 0.00 O ATOM 0 H SER A 74 15.084 -3.640 86.971 1.00 0.00 H new ATOM 0 HA SER A 74 13.488 -1.601 88.111 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.738 -3.536 86.669 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.960 -4.602 88.042 1.00 0.00 H new ATOM 0 HG SER A 74 11.000 -3.998 88.610 1.00 0.00 H new ATOM 1160 N ALA A 75 14.489 -3.915 90.257 1.00 0.00 N ATOM 1161 CA ALA A 75 14.656 -4.158 91.723 1.00 0.00 C ATOM 1162 C ALA A 75 15.726 -3.215 92.283 1.00 0.00 C ATOM 1163 O ALA A 75 15.653 -2.777 93.414 1.00 0.00 O ATOM 1164 CB ALA A 75 15.075 -5.609 91.958 1.00 0.00 C ATOM 0 H ALA A 75 14.850 -4.651 89.650 1.00 0.00 H new ATOM 0 HA ALA A 75 13.710 -3.970 92.230 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.196 -5.784 93.027 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.308 -6.277 91.565 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.020 -5.802 91.449 1.00 0.00 H new ATOM 1170 N VAL A 76 16.724 -2.907 91.501 1.00 0.00 N ATOM 1171 CA VAL A 76 17.804 -2.003 91.986 1.00 0.00 C ATOM 1172 C VAL A 76 17.189 -0.806 92.723 1.00 0.00 C ATOM 1173 O VAL A 76 17.314 -0.678 93.924 1.00 0.00 O ATOM 1174 CB VAL A 76 18.631 -1.521 90.790 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.439 -0.284 91.186 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.579 -2.647 90.351 1.00 0.00 C ATOM 0 H VAL A 76 16.838 -3.243 90.545 1.00 0.00 H new ATOM 0 HA VAL A 76 18.451 -2.542 92.678 1.00 0.00 H new ATOM 0 HB VAL A 76 17.968 -1.259 89.965 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.026 0.056 90.333 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.760 0.509 91.498 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.108 -0.534 92.010 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.172 -2.312 89.500 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.243 -2.906 91.176 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.996 -3.523 90.065 1.00 0.00 H new ATOM 1186 N TYR A 77 16.525 0.068 92.017 1.00 0.00 N ATOM 1187 CA TYR A 77 15.906 1.243 92.690 1.00 0.00 C ATOM 1188 C TYR A 77 14.725 0.771 93.548 1.00 0.00 C ATOM 1189 O TYR A 77 13.685 1.398 93.583 1.00 0.00 O ATOM 1190 CB TYR A 77 15.402 2.244 91.639 1.00 0.00 C ATOM 1191 CG TYR A 77 16.112 2.047 90.311 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.611 1.134 89.369 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.252 2.803 90.006 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.250 0.984 88.127 1.00 0.00 C ATOM 1195 CE2 TYR A 77 17.889 2.645 88.768 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.389 1.738 87.828 1.00 0.00 C ATOM 1197 OH TYR A 77 18.013 1.591 86.600 1.00 0.00 O ATOM 0 H TYR A 77 16.385 0.019 91.008 1.00 0.00 H new ATOM 0 HA TYR A 77 16.651 1.729 93.320 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.328 2.122 91.502 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.564 3.262 91.994 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.734 0.547 89.599 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.640 3.508 90.726 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.861 0.285 87.402 1.00 0.00 H new ATOM 0 HE2 TYR A 77 18.770 3.226 88.539 1.00 0.00 H new ATOM 0 HH TYR A 77 18.788 2.189 86.553 1.00 0.00 H new ATOM 1207 N GLU A 78 14.878 -0.329 94.242 1.00 0.00 N ATOM 1208 CA GLU A 78 13.763 -0.840 95.100 1.00 0.00 C ATOM 1209 C GLU A 78 14.265 -1.091 96.518 1.00 0.00 C ATOM 1210 O GLU A 78 13.518 -1.016 97.473 1.00 0.00 O ATOM 1211 CB GLU A 78 13.239 -2.166 94.537 1.00 0.00 C ATOM 1212 CG GLU A 78 11.827 -2.418 95.064 1.00 0.00 C ATOM 1213 CD GLU A 78 10.864 -1.460 94.372 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.061 -1.210 93.195 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.951 -0.989 95.028 1.00 0.00 O ATOM 0 H GLU A 78 15.726 -0.896 94.252 1.00 0.00 H new ATOM 0 HA GLU A 78 12.969 -0.094 95.112 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.232 -2.134 93.447 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.899 -2.983 94.828 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.533 -3.450 94.875 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.795 -2.270 96.143 1.00 0.00 H new ATOM 1222 N GLY A 79 15.512 -1.429 96.670 1.00 0.00 N ATOM 1223 CA GLY A 79 16.028 -1.730 98.033 1.00 0.00 C ATOM 1224 C GLY A 79 15.800 -3.214 98.289 1.00 0.00 C ATOM 1225 O GLY A 79 16.231 -3.765 99.284 1.00 0.00 O ATOM 0 H GLY A 79 16.194 -1.510 95.915 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.088 -1.487 98.104 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.512 -1.128 98.781 1.00 0.00 H new ATOM 1229 N HIS A 80 15.140 -3.875 97.377 1.00 0.00 N ATOM 1230 CA HIS A 80 14.899 -5.323 97.542 1.00 0.00 C ATOM 1231 C HIS A 80 16.200 -6.027 97.203 1.00 0.00 C ATOM 1232 O HIS A 80 16.790 -6.693 98.027 1.00 0.00 O ATOM 1233 CB HIS A 80 13.788 -5.773 96.576 1.00 0.00 C ATOM 1234 CG HIS A 80 12.454 -5.726 97.274 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.529 -6.767 97.202 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.876 -4.773 98.069 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.463 -6.410 97.935 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.618 -5.206 98.485 1.00 0.00 N ATOM 0 H HIS A 80 14.759 -3.466 96.524 1.00 0.00 H new ATOM 0 HA HIS A 80 14.584 -5.560 98.558 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.773 -5.126 95.699 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.988 -6.785 96.223 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.327 -3.828 98.334 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.585 -7.025 98.064 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.958 -4.708 99.082 1.00 0.00 H new ATOM 1246 N VAL A 81 16.656 -5.843 95.993 1.00 0.00 N ATOM 1247 CA VAL A 81 17.935 -6.456 95.549 1.00 0.00 C ATOM 1248 C VAL A 81 18.142 -7.822 96.189 1.00 0.00 C ATOM 1249 O VAL A 81 19.211 -8.405 96.122 1.00 0.00 O ATOM 1250 CB VAL A 81 19.089 -5.492 95.848 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.197 -4.486 94.687 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.798 -4.728 97.150 1.00 0.00 C ATOM 0 H VAL A 81 16.185 -5.283 95.283 1.00 0.00 H new ATOM 0 HA VAL A 81 17.902 -6.626 94.473 1.00 0.00 H new ATOM 0 HB VAL A 81 20.020 -6.049 95.957 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.014 -3.791 94.882 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.391 -5.022 93.758 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.263 -3.932 94.598 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.619 -4.043 97.361 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.873 -4.162 97.041 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.696 -5.436 97.972 1.00 0.00 H new ATOM 1262 N SER A 82 17.099 -8.380 96.733 1.00 0.00 N ATOM 1263 CA SER A 82 17.188 -9.747 97.286 1.00 0.00 C ATOM 1264 C SER A 82 17.016 -10.659 96.078 1.00 0.00 C ATOM 1265 O SER A 82 17.403 -11.814 96.060 1.00 0.00 O ATOM 1266 CB SER A 82 16.069 -9.984 98.311 1.00 0.00 C ATOM 1267 OG SER A 82 16.542 -9.652 99.611 1.00 0.00 O ATOM 0 H SER A 82 16.183 -7.939 96.816 1.00 0.00 H new ATOM 0 HA SER A 82 18.128 -9.927 97.807 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.198 -9.377 98.063 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.750 -11.026 98.283 1.00 0.00 H new ATOM 0 HG SER A 82 15.829 -9.801 100.266 1.00 0.00 H new ATOM 1273 N CYS A 83 16.437 -10.085 95.051 1.00 0.00 N ATOM 1274 CA CYS A 83 16.201 -10.802 93.770 1.00 0.00 C ATOM 1275 C CYS A 83 17.474 -10.729 92.928 1.00 0.00 C ATOM 1276 O CYS A 83 18.034 -11.734 92.546 1.00 0.00 O ATOM 1277 CB CYS A 83 15.053 -10.108 93.027 1.00 0.00 C ATOM 1278 SG CYS A 83 15.062 -8.339 93.424 1.00 0.00 S ATOM 0 H CYS A 83 16.110 -9.119 95.054 1.00 0.00 H new ATOM 0 HA CYS A 83 15.943 -11.845 93.955 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.162 -10.251 91.952 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.099 -10.551 93.313 1.00 0.00 H new ATOM 0 HG CYS A 83 13.895 -7.830 93.162 1.00 0.00 H new ATOM 1284 N VAL A 84 17.939 -9.537 92.647 1.00 0.00 N ATOM 1285 CA VAL A 84 19.186 -9.389 91.836 1.00 0.00 C ATOM 1286 C VAL A 84 20.164 -10.500 92.220 1.00 0.00 C ATOM 1287 O VAL A 84 20.840 -11.068 91.387 1.00 0.00 O ATOM 1288 CB VAL A 84 19.845 -8.044 92.138 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.890 -6.900 91.794 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.202 -7.979 93.620 1.00 0.00 C ATOM 0 H VAL A 84 17.509 -8.661 92.944 1.00 0.00 H new ATOM 0 HA VAL A 84 18.933 -9.447 90.777 1.00 0.00 H new ATOM 0 HB VAL A 84 20.748 -7.945 91.535 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.370 -5.947 92.013 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.637 -6.943 90.735 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.981 -6.994 92.388 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.673 -7.021 93.839 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.296 -8.084 94.217 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.893 -8.786 93.864 1.00 0.00 H new ATOM 1300 N LYS A 85 20.249 -10.797 93.487 1.00 0.00 N ATOM 1301 CA LYS A 85 21.188 -11.852 93.946 1.00 0.00 C ATOM 1302 C LYS A 85 20.904 -13.185 93.217 1.00 0.00 C ATOM 1303 O LYS A 85 21.608 -13.553 92.297 1.00 0.00 O ATOM 1304 CB LYS A 85 21.036 -12.016 95.465 1.00 0.00 C ATOM 1305 CG LYS A 85 22.353 -11.652 96.171 1.00 0.00 C ATOM 1306 CD LYS A 85 22.547 -10.129 96.169 1.00 0.00 C ATOM 1307 CE LYS A 85 23.889 -9.776 96.821 1.00 0.00 C ATOM 1308 NZ LYS A 85 23.784 -9.928 98.300 1.00 0.00 N ATOM 0 H LYS A 85 19.705 -10.351 94.226 1.00 0.00 H new ATOM 0 HA LYS A 85 22.212 -11.562 93.712 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.231 -11.377 95.829 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.759 -13.043 95.702 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.341 -12.024 97.196 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.191 -12.134 95.667 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.518 -9.751 95.147 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.732 -9.649 96.710 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.674 -10.425 96.434 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.168 -8.753 96.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.661 -9.592 98.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.980 -9.369 98.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.638 -10.930 98.536 1.00 0.00 H new ATOM 1322 N LEU A 86 19.890 -13.920 93.618 1.00 0.00 N ATOM 1323 CA LEU A 86 19.611 -15.221 92.919 1.00 0.00 C ATOM 1324 C LEU A 86 19.273 -14.963 91.449 1.00 0.00 C ATOM 1325 O LEU A 86 18.970 -15.871 90.702 1.00 0.00 O ATOM 1326 CB LEU A 86 18.477 -16.021 93.603 1.00 0.00 C ATOM 1327 CG LEU A 86 17.147 -15.245 93.709 1.00 0.00 C ATOM 1328 CD1 LEU A 86 17.267 -14.077 94.687 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.695 -14.721 92.342 1.00 0.00 C ATOM 0 H LEU A 86 19.256 -13.684 94.381 1.00 0.00 H new ATOM 0 HA LEU A 86 20.514 -15.829 92.982 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.307 -16.942 93.045 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.800 -16.309 94.603 1.00 0.00 H new ATOM 0 HG LEU A 86 16.399 -15.945 94.081 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.315 -13.549 94.741 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.529 -14.455 95.675 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.043 -13.393 94.343 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.756 -14.179 92.452 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.455 -14.051 91.940 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.553 -15.559 91.660 1.00 0.00 H new ATOM 1341 N LEU A 87 19.304 -13.725 91.027 1.00 0.00 N ATOM 1342 CA LEU A 87 18.966 -13.418 89.608 1.00 0.00 C ATOM 1343 C LEU A 87 20.129 -13.802 88.689 1.00 0.00 C ATOM 1344 O LEU A 87 19.993 -14.679 87.859 1.00 0.00 O ATOM 1345 CB LEU A 87 18.678 -11.924 89.466 1.00 0.00 C ATOM 1346 CG LEU A 87 17.317 -11.709 88.805 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.939 -10.231 88.897 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.388 -12.133 87.335 1.00 0.00 C ATOM 0 H LEU A 87 19.548 -12.918 91.602 1.00 0.00 H new ATOM 0 HA LEU A 87 18.085 -13.993 89.322 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.693 -11.449 90.447 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.459 -11.451 88.870 1.00 0.00 H new ATOM 0 HG LEU A 87 16.564 -12.309 89.315 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.968 -10.074 88.426 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.887 -9.933 89.944 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.692 -9.630 88.386 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.417 -11.979 86.865 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.140 -11.535 86.820 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.658 -13.187 87.273 1.00 0.00 H new ATOM 1360 N LEU A 88 21.272 -13.155 88.799 1.00 0.00 N ATOM 1361 CA LEU A 88 22.381 -13.535 87.884 1.00 0.00 C ATOM 1362 C LEU A 88 22.641 -15.027 88.024 1.00 0.00 C ATOM 1363 O LEU A 88 23.291 -15.639 87.200 1.00 0.00 O ATOM 1364 CB LEU A 88 23.664 -12.713 88.117 1.00 0.00 C ATOM 1365 CG LEU A 88 24.392 -13.095 89.414 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.414 -13.131 90.583 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.076 -14.463 89.258 1.00 0.00 C ATOM 0 H LEU A 88 21.473 -12.406 89.462 1.00 0.00 H new ATOM 0 HA LEU A 88 22.075 -13.306 86.863 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.339 -12.855 87.273 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.410 -11.653 88.148 1.00 0.00 H new ATOM 0 HG LEU A 88 25.153 -12.341 89.617 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.946 -13.403 91.494 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.960 -12.148 90.708 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.636 -13.867 90.384 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.588 -14.721 90.185 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.326 -15.221 89.034 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.800 -14.417 88.444 1.00 0.00 H new ATOM 1379 N SER A 89 22.090 -15.633 89.035 1.00 0.00 N ATOM 1380 CA SER A 89 22.257 -17.100 89.179 1.00 0.00 C ATOM 1381 C SER A 89 21.688 -17.735 87.910 1.00 0.00 C ATOM 1382 O SER A 89 21.995 -18.858 87.556 1.00 0.00 O ATOM 1383 CB SER A 89 21.474 -17.591 90.396 1.00 0.00 C ATOM 1384 OG SER A 89 22.030 -18.818 90.851 1.00 0.00 O ATOM 0 H SER A 89 21.536 -15.180 89.762 1.00 0.00 H new ATOM 0 HA SER A 89 23.305 -17.365 89.316 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.510 -16.846 91.191 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.425 -17.729 90.136 1.00 0.00 H new ATOM 0 HG SER A 89 21.530 -19.134 91.633 1.00 0.00 H new ATOM 1390 N LYS A 90 20.852 -16.996 87.220 1.00 0.00 N ATOM 1391 CA LYS A 90 20.238 -17.494 85.962 1.00 0.00 C ATOM 1392 C LYS A 90 20.931 -16.835 84.765 1.00 0.00 C ATOM 1393 O LYS A 90 20.782 -17.261 83.637 1.00 0.00 O ATOM 1394 CB LYS A 90 18.755 -17.104 85.953 1.00 0.00 C ATOM 1395 CG LYS A 90 17.976 -17.980 86.949 1.00 0.00 C ATOM 1396 CD LYS A 90 17.647 -17.187 88.221 1.00 0.00 C ATOM 1397 CE LYS A 90 16.426 -16.291 87.979 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.044 -15.609 89.250 1.00 0.00 N ATOM 0 H LYS A 90 20.569 -16.053 87.486 1.00 0.00 H new ATOM 0 HA LYS A 90 20.346 -18.577 85.899 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.645 -16.052 86.217 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.344 -17.225 84.951 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.055 -18.335 86.487 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.565 -18.861 87.205 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.448 -17.872 89.045 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.503 -16.578 88.512 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.652 -15.551 87.211 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.592 -16.888 87.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.105 -15.939 89.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.743 -15.831 89.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.017 -14.581 89.098 1.00 0.00 H new ATOM 1412 N GLY A 91 21.683 -15.792 85.011 1.00 0.00 N ATOM 1413 CA GLY A 91 22.390 -15.075 83.904 1.00 0.00 C ATOM 1414 C GLY A 91 22.145 -13.566 84.036 1.00 0.00 C ATOM 1415 O GLY A 91 22.717 -12.905 84.879 1.00 0.00 O ATOM 0 H GLY A 91 21.839 -15.402 85.941 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.459 -15.286 83.943 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.031 -15.430 82.938 1.00 0.00 H new ATOM 1419 N ALA A 92 21.274 -13.028 83.224 1.00 0.00 N ATOM 1420 CA ALA A 92 20.941 -11.569 83.300 1.00 0.00 C ATOM 1421 C ALA A 92 22.183 -10.675 83.322 1.00 0.00 C ATOM 1422 O ALA A 92 22.067 -9.471 83.210 1.00 0.00 O ATOM 1423 CB ALA A 92 20.158 -11.318 84.589 1.00 0.00 C ATOM 0 H ALA A 92 20.771 -13.542 82.501 1.00 0.00 H new ATOM 0 HA ALA A 92 20.365 -11.320 82.409 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.907 -10.260 84.662 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.242 -11.909 84.579 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.766 -11.606 85.446 1.00 0.00 H new ATOM 1429 N ASP A 93 23.355 -11.207 83.490 1.00 0.00 N ATOM 1430 CA ASP A 93 24.545 -10.308 83.547 1.00 0.00 C ATOM 1431 C ASP A 93 24.195 -9.132 84.486 1.00 0.00 C ATOM 1432 O ASP A 93 23.843 -9.343 85.630 1.00 0.00 O ATOM 1433 CB ASP A 93 24.860 -9.804 82.130 1.00 0.00 C ATOM 1434 CG ASP A 93 26.353 -9.489 82.005 1.00 0.00 C ATOM 1435 OD1 ASP A 93 27.031 -9.514 83.018 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.791 -9.224 80.897 1.00 0.00 O ATOM 0 H ASP A 93 23.545 -12.204 83.589 1.00 0.00 H new ATOM 0 HA ASP A 93 25.424 -10.830 83.925 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.577 -10.558 81.396 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.272 -8.912 81.914 1.00 0.00 H new ATOM 1441 N LYS A 94 24.252 -7.905 84.029 1.00 0.00 N ATOM 1442 CA LYS A 94 23.876 -6.771 84.927 1.00 0.00 C ATOM 1443 C LYS A 94 23.562 -5.526 84.092 1.00 0.00 C ATOM 1444 O LYS A 94 22.719 -4.727 84.446 1.00 0.00 O ATOM 1445 CB LYS A 94 24.992 -6.487 85.944 1.00 0.00 C ATOM 1446 CG LYS A 94 26.228 -5.896 85.260 1.00 0.00 C ATOM 1447 CD LYS A 94 27.022 -7.011 84.561 1.00 0.00 C ATOM 1448 CE LYS A 94 27.163 -6.683 83.073 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.319 -7.424 82.508 1.00 0.00 N ATOM 0 H LYS A 94 24.539 -7.642 83.086 1.00 0.00 H new ATOM 0 HA LYS A 94 22.982 -7.047 85.487 1.00 0.00 H new ATOM 0 HB2 LYS A 94 24.628 -5.795 86.704 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.263 -7.410 86.457 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.926 -5.142 84.533 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.857 -5.396 85.996 1.00 0.00 H new ATOM 0 HD2 LYS A 94 28.007 -7.111 85.017 1.00 0.00 H new ATOM 0 HD3 LYS A 94 26.514 -7.967 84.687 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.250 -6.953 82.542 1.00 0.00 H new ATOM 0 HE3 LYS A 94 27.304 -5.611 82.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 28.286 -7.380 81.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 29.205 -6.995 82.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 28.278 -8.417 82.813 1.00 0.00 H new ATOM 1463 N THR A 95 24.215 -5.372 82.976 1.00 0.00 N ATOM 1464 CA THR A 95 23.949 -4.202 82.092 1.00 0.00 C ATOM 1465 C THR A 95 23.685 -4.738 80.686 1.00 0.00 C ATOM 1466 O THR A 95 24.200 -4.235 79.709 1.00 0.00 O ATOM 1467 CB THR A 95 25.180 -3.288 82.068 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.717 -3.177 83.377 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.788 -1.899 81.557 1.00 0.00 C ATOM 0 H THR A 95 24.930 -6.014 82.634 1.00 0.00 H new ATOM 0 HA THR A 95 23.094 -3.631 82.455 1.00 0.00 H new ATOM 0 HB THR A 95 25.929 -3.717 81.403 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.645 -3.493 83.378 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.667 -1.255 81.543 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.383 -1.983 80.548 1.00 0.00 H new ATOM 0 HG23 THR A 95 24.034 -1.468 82.216 1.00 0.00 H new ATOM 1477 N VAL A 96 22.913 -5.785 80.587 1.00 0.00 N ATOM 1478 CA VAL A 96 22.640 -6.401 79.264 1.00 0.00 C ATOM 1479 C VAL A 96 21.597 -5.586 78.482 1.00 0.00 C ATOM 1480 O VAL A 96 21.301 -5.891 77.343 1.00 0.00 O ATOM 1481 CB VAL A 96 22.160 -7.846 79.501 1.00 0.00 C ATOM 1482 CG1 VAL A 96 21.031 -8.212 78.536 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.330 -8.817 79.290 1.00 0.00 C ATOM 0 H VAL A 96 22.456 -6.242 81.376 1.00 0.00 H new ATOM 0 HA VAL A 96 23.547 -6.409 78.660 1.00 0.00 H new ATOM 0 HB VAL A 96 21.788 -7.919 80.523 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.710 -9.237 78.724 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.190 -7.535 78.686 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.387 -8.126 77.510 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.990 -9.839 79.458 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.703 -8.722 78.270 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.130 -8.581 79.992 1.00 0.00 H new ATOM 1493 N LYS A 97 21.049 -4.545 79.058 1.00 0.00 N ATOM 1494 CA LYS A 97 20.048 -3.737 78.291 1.00 0.00 C ATOM 1495 C LYS A 97 19.853 -2.329 78.896 1.00 0.00 C ATOM 1496 O LYS A 97 19.065 -1.553 78.394 1.00 0.00 O ATOM 1497 CB LYS A 97 18.708 -4.477 78.265 1.00 0.00 C ATOM 1498 CG LYS A 97 18.154 -4.487 76.832 1.00 0.00 C ATOM 1499 CD LYS A 97 18.911 -5.516 75.978 1.00 0.00 C ATOM 1500 CE LYS A 97 18.103 -5.830 74.715 1.00 0.00 C ATOM 1501 NZ LYS A 97 18.991 -6.444 73.683 1.00 0.00 N ATOM 0 H LYS A 97 21.245 -4.223 80.006 1.00 0.00 H new ATOM 0 HA LYS A 97 20.429 -3.610 77.278 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.838 -5.498 78.623 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.000 -3.992 78.936 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.091 -4.727 76.847 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.250 -3.495 76.390 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.892 -5.127 75.707 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.077 -6.428 76.552 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.286 -6.510 74.955 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.654 -4.917 74.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.436 -6.655 72.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.756 -5.781 73.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.400 -7.325 74.056 1.00 0.00 H new ATOM 1515 N GLY A 98 20.560 -1.974 79.940 1.00 0.00 N ATOM 1516 CA GLY A 98 20.394 -0.599 80.512 1.00 0.00 C ATOM 1517 C GLY A 98 21.027 0.398 79.541 1.00 0.00 C ATOM 1518 O GLY A 98 21.594 -0.005 78.547 1.00 0.00 O ATOM 0 H GLY A 98 21.238 -2.568 80.418 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.338 -0.372 80.656 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.871 -0.533 81.490 1.00 0.00 H new ATOM 1522 N PRO A 99 20.941 1.670 79.847 1.00 0.00 N ATOM 1523 CA PRO A 99 21.539 2.699 78.986 1.00 0.00 C ATOM 1524 C PRO A 99 22.981 2.318 78.711 1.00 0.00 C ATOM 1525 O PRO A 99 23.303 1.757 77.684 1.00 0.00 O ATOM 1526 CB PRO A 99 21.445 4.000 79.800 1.00 0.00 C ATOM 1527 CG PRO A 99 20.711 3.661 81.126 1.00 0.00 C ATOM 1528 CD PRO A 99 20.273 2.185 81.056 1.00 0.00 C ATOM 0 HA PRO A 99 21.041 2.808 78.022 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.439 4.400 80.002 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.901 4.763 79.244 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.369 3.824 81.980 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.846 4.310 81.261 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.580 1.635 81.946 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.189 2.094 80.983 1.00 0.00 H new ATOM 1536 N ASP A 100 23.845 2.594 79.633 1.00 0.00 N ATOM 1537 CA ASP A 100 25.267 2.223 79.452 1.00 0.00 C ATOM 1538 C ASP A 100 25.771 1.637 80.768 1.00 0.00 C ATOM 1539 O ASP A 100 25.104 0.843 81.406 1.00 0.00 O ATOM 1540 CB ASP A 100 26.086 3.465 79.083 1.00 0.00 C ATOM 1541 CG ASP A 100 27.460 3.036 78.562 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.519 2.510 77.462 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.431 3.241 79.272 1.00 0.00 O ATOM 0 H ASP A 100 23.628 3.064 80.512 1.00 0.00 H new ATOM 0 HA ASP A 100 25.370 1.493 78.649 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.563 4.046 78.324 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.201 4.110 79.954 1.00 0.00 H new ATOM 1548 N GLY A 101 26.929 2.031 81.186 1.00 0.00 N ATOM 1549 CA GLY A 101 27.473 1.508 82.469 1.00 0.00 C ATOM 1550 C GLY A 101 26.522 1.888 83.610 1.00 0.00 C ATOM 1551 O GLY A 101 26.775 1.613 84.774 1.00 0.00 O ATOM 0 H GLY A 101 27.530 2.695 80.698 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.583 0.425 82.417 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.465 1.921 82.653 1.00 0.00 H new ATOM 1555 N LEU A 102 25.414 2.517 83.293 1.00 0.00 N ATOM 1556 CA LEU A 102 24.468 2.905 84.372 1.00 0.00 C ATOM 1557 C LEU A 102 24.210 1.724 85.260 1.00 0.00 C ATOM 1558 O LEU A 102 24.534 1.746 86.422 1.00 0.00 O ATOM 1559 CB LEU A 102 23.121 3.361 83.813 1.00 0.00 C ATOM 1560 CG LEU A 102 22.261 3.910 84.966 1.00 0.00 C ATOM 1561 CD1 LEU A 102 21.062 4.668 84.408 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.740 2.763 85.839 1.00 0.00 C ATOM 0 H LEU A 102 25.132 2.773 82.347 1.00 0.00 H new ATOM 0 HA LEU A 102 24.926 3.728 84.920 1.00 0.00 H new ATOM 0 HB2 LEU A 102 23.269 4.130 83.054 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.613 2.528 83.328 1.00 0.00 H new ATOM 0 HG LEU A 102 22.883 4.576 85.564 1.00 0.00 H new ATOM 0 HD11 LEU A 102 20.460 5.053 85.231 1.00 0.00 H new ATOM 0 HD12 LEU A 102 21.410 5.499 83.794 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.458 3.996 83.799 1.00 0.00 H new ATOM 0 HD21 LEU A 102 21.134 3.169 86.649 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.132 2.091 85.233 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.583 2.212 86.257 1.00 0.00 H new ATOM 1574 N THR A 103 23.588 0.702 84.748 1.00 0.00 N ATOM 1575 CA THR A 103 23.267 -0.456 85.616 1.00 0.00 C ATOM 1576 C THR A 103 23.238 0.012 87.079 1.00 0.00 C ATOM 1577 O THR A 103 22.283 0.611 87.544 1.00 0.00 O ATOM 1578 CB THR A 103 24.321 -1.555 85.453 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.394 -2.310 86.654 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.691 -0.940 85.156 1.00 0.00 C ATOM 0 H THR A 103 23.291 0.620 83.776 1.00 0.00 H new ATOM 0 HA THR A 103 22.296 -0.860 85.331 1.00 0.00 H new ATOM 0 HB THR A 103 24.038 -2.200 84.621 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.066 -3.017 86.556 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.429 -1.734 85.043 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.637 -0.360 84.235 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.983 -0.288 85.979 1.00 0.00 H new ATOM 1588 N ALA A 104 24.286 -0.251 87.800 1.00 0.00 N ATOM 1589 CA ALA A 104 24.352 0.169 89.238 1.00 0.00 C ATOM 1590 C ALA A 104 25.042 1.544 89.360 1.00 0.00 C ATOM 1591 O ALA A 104 24.907 2.230 90.350 1.00 0.00 O ATOM 1592 CB ALA A 104 25.149 -0.878 90.035 1.00 0.00 C ATOM 0 H ALA A 104 25.112 -0.743 87.459 1.00 0.00 H new ATOM 0 HA ALA A 104 23.340 0.246 89.636 1.00 0.00 H new ATOM 0 HB1 ALA A 104 25.200 -0.577 91.081 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.655 -1.846 89.959 1.00 0.00 H new ATOM 0 HB3 ALA A 104 26.158 -0.953 89.630 1.00 0.00 H new ATOM 1598 N LEU A 105 25.809 1.925 88.368 1.00 0.00 N ATOM 1599 CA LEU A 105 26.560 3.215 88.420 1.00 0.00 C ATOM 1600 C LEU A 105 25.648 4.400 88.769 1.00 0.00 C ATOM 1601 O LEU A 105 25.641 4.873 89.888 1.00 0.00 O ATOM 1602 CB LEU A 105 27.201 3.470 87.050 1.00 0.00 C ATOM 1603 CG LEU A 105 28.506 2.669 86.872 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.675 3.439 87.491 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.405 1.287 87.533 1.00 0.00 C ATOM 0 H LEU A 105 25.947 1.387 87.512 1.00 0.00 H new ATOM 0 HA LEU A 105 27.316 3.132 89.201 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.497 3.198 86.263 1.00 0.00 H new ATOM 0 HB3 LEU A 105 27.409 4.534 86.938 1.00 0.00 H new ATOM 0 HG LEU A 105 28.673 2.531 85.804 1.00 0.00 H new ATOM 0 HD11 LEU A 105 30.595 2.869 87.363 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.776 4.406 86.998 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.488 3.592 88.554 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.341 0.746 87.390 1.00 0.00 H new ATOM 0 HD22 LEU A 105 28.214 1.407 88.599 1.00 0.00 H new ATOM 0 HD23 LEU A 105 27.588 0.725 87.079 1.00 0.00 H new ATOM 1617 N GLU A 106 24.909 4.905 87.816 1.00 0.00 N ATOM 1618 CA GLU A 106 24.035 6.083 88.088 1.00 0.00 C ATOM 1619 C GLU A 106 22.710 5.641 88.709 1.00 0.00 C ATOM 1620 O GLU A 106 21.829 6.453 88.939 1.00 0.00 O ATOM 1621 CB GLU A 106 23.746 6.822 86.772 1.00 0.00 C ATOM 1622 CG GLU A 106 24.920 6.649 85.800 1.00 0.00 C ATOM 1623 CD GLU A 106 25.199 7.977 85.101 1.00 0.00 C ATOM 1624 OE1 GLU A 106 25.669 8.885 85.767 1.00 0.00 O ATOM 1625 OE2 GLU A 106 24.933 8.066 83.915 1.00 0.00 O ATOM 0 H GLU A 106 24.873 4.552 86.860 1.00 0.00 H new ATOM 0 HA GLU A 106 24.552 6.742 88.785 1.00 0.00 H new ATOM 0 HB2 GLU A 106 22.832 6.435 86.322 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.581 7.881 86.970 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.807 6.316 86.339 1.00 0.00 H new ATOM 0 HG3 GLU A 106 24.687 5.880 85.064 1.00 0.00 H new ATOM 1632 N ALA A 107 22.538 4.370 88.970 1.00 0.00 N ATOM 1633 CA ALA A 107 21.247 3.922 89.563 1.00 0.00 C ATOM 1634 C ALA A 107 21.207 4.179 91.070 1.00 0.00 C ATOM 1635 O ALA A 107 20.165 4.473 91.621 1.00 0.00 O ATOM 1636 CB ALA A 107 21.058 2.420 89.343 1.00 0.00 C ATOM 0 H ALA A 107 23.225 3.635 88.801 1.00 0.00 H new ATOM 0 HA ALA A 107 20.455 4.489 89.073 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.111 2.104 89.781 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.053 2.207 88.274 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.876 1.877 89.817 1.00 0.00 H new ATOM 1642 N THR A 108 22.295 4.009 91.769 1.00 0.00 N ATOM 1643 CA THR A 108 22.224 4.185 93.240 1.00 0.00 C ATOM 1644 C THR A 108 23.582 4.506 93.861 1.00 0.00 C ATOM 1645 O THR A 108 24.532 4.892 93.208 1.00 0.00 O ATOM 1646 CB THR A 108 21.770 2.849 93.810 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.665 2.932 95.223 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.812 1.791 93.427 1.00 0.00 C ATOM 0 H THR A 108 23.210 3.761 91.393 1.00 0.00 H new ATOM 0 HA THR A 108 21.551 5.013 93.462 1.00 0.00 H new ATOM 0 HB THR A 108 20.792 2.582 93.408 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.720 2.931 95.481 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.510 0.822 93.824 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.887 1.731 92.341 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.781 2.067 93.843 1.00 0.00 H new ATOM 1656 N ASP A 109 23.652 4.295 95.145 1.00 0.00 N ATOM 1657 CA ASP A 109 24.899 4.505 95.911 1.00 0.00 C ATOM 1658 C ASP A 109 24.915 3.487 97.054 1.00 0.00 C ATOM 1659 O ASP A 109 25.865 3.395 97.807 1.00 0.00 O ATOM 1660 CB ASP A 109 24.954 5.926 96.476 1.00 0.00 C ATOM 1661 CG ASP A 109 26.259 6.103 97.254 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.194 5.372 96.974 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.301 6.964 98.118 1.00 0.00 O ATOM 0 H ASP A 109 22.865 3.974 95.709 1.00 0.00 H new ATOM 0 HA ASP A 109 25.765 4.373 95.262 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.896 6.655 95.668 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.099 6.105 97.129 1.00 0.00 H new ATOM 1668 N ASN A 110 23.873 2.685 97.162 1.00 0.00 N ATOM 1669 CA ASN A 110 23.839 1.638 98.225 1.00 0.00 C ATOM 1670 C ASN A 110 24.743 0.510 97.740 1.00 0.00 C ATOM 1671 O ASN A 110 24.882 0.293 96.552 1.00 0.00 O ATOM 1672 CB ASN A 110 22.400 1.143 98.442 1.00 0.00 C ATOM 1673 CG ASN A 110 21.724 0.951 97.093 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.467 0.836 96.037 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.513 0.905 97.000 1.00 0.00 N flip ATOM 0 H ASN A 110 23.051 2.716 96.559 1.00 0.00 H new ATOM 0 HA ASN A 110 24.184 2.026 99.183 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.406 0.204 98.995 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.842 1.863 99.042 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.934 0.996 97.835 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.076 0.775 96.087 1.00 0.00 H new ATOM 1682 N GLN A 111 25.415 -0.163 98.625 1.00 0.00 N ATOM 1683 CA GLN A 111 26.375 -1.214 98.178 1.00 0.00 C ATOM 1684 C GLN A 111 25.715 -2.598 98.006 1.00 0.00 C ATOM 1685 O GLN A 111 26.392 -3.585 97.803 1.00 0.00 O ATOM 1686 CB GLN A 111 27.522 -1.270 99.190 1.00 0.00 C ATOM 1687 CG GLN A 111 28.413 -2.481 98.928 1.00 0.00 C ATOM 1688 CD GLN A 111 29.797 -2.204 99.516 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.904 -1.383 100.529 1.00 0.00 O flip ATOM 1690 NE2 GLN A 111 30.785 -2.726 99.045 1.00 0.00 N flip ATOM 0 H GLN A 111 25.345 -0.035 99.635 1.00 0.00 H new ATOM 0 HA GLN A 111 26.750 -0.947 97.190 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.114 -0.357 99.128 1.00 0.00 H new ATOM 0 HB3 GLN A 111 27.119 -1.321 100.202 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.981 -3.374 99.381 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.488 -2.671 97.857 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.697 -3.365 98.255 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.704 -2.526 99.439 1.00 0.00 H new ATOM 1699 N ALA A 112 24.412 -2.692 98.035 1.00 0.00 N ATOM 1700 CA ALA A 112 23.772 -4.029 97.824 1.00 0.00 C ATOM 1701 C ALA A 112 23.608 -4.228 96.321 1.00 0.00 C ATOM 1702 O ALA A 112 23.825 -5.295 95.760 1.00 0.00 O ATOM 1703 CB ALA A 112 22.393 -4.060 98.489 1.00 0.00 C ATOM 0 H ALA A 112 23.769 -1.916 98.193 1.00 0.00 H new ATOM 0 HA ALA A 112 24.388 -4.816 98.259 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.935 -5.036 98.331 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.501 -3.879 99.558 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.761 -3.287 98.052 1.00 0.00 H new ATOM 1709 N ILE A 113 23.269 -3.167 95.672 1.00 0.00 N ATOM 1710 CA ILE A 113 23.106 -3.180 94.201 1.00 0.00 C ATOM 1711 C ILE A 113 24.481 -3.299 93.595 1.00 0.00 C ATOM 1712 O ILE A 113 24.762 -4.147 92.769 1.00 0.00 O ATOM 1713 CB ILE A 113 22.545 -1.839 93.746 1.00 0.00 C ATOM 1714 CG1 ILE A 113 21.109 -1.647 94.220 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.596 -1.779 92.218 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.994 -1.878 95.729 1.00 0.00 C ATOM 0 H ILE A 113 23.092 -2.263 96.109 1.00 0.00 H new ATOM 0 HA ILE A 113 22.447 -3.996 93.906 1.00 0.00 H new ATOM 0 HB ILE A 113 23.148 -1.041 94.180 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.773 -0.639 93.976 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.452 -2.338 93.692 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.197 -0.823 91.878 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.629 -1.881 91.884 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.999 -2.590 91.802 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.960 -1.735 96.041 1.00 0.00 H new ATOM 0 HD12 ILE A 113 21.307 -2.895 95.966 1.00 0.00 H new ATOM 0 HD13 ILE A 113 21.633 -1.169 96.255 1.00 0.00 H new ATOM 1728 N LYS A 114 25.346 -2.426 94.017 1.00 0.00 N ATOM 1729 CA LYS A 114 26.725 -2.430 93.503 1.00 0.00 C ATOM 1730 C LYS A 114 27.254 -3.854 93.610 1.00 0.00 C ATOM 1731 O LYS A 114 28.252 -4.209 93.017 1.00 0.00 O ATOM 1732 CB LYS A 114 27.574 -1.444 94.321 1.00 0.00 C ATOM 1733 CG LYS A 114 26.847 -0.084 94.388 1.00 0.00 C ATOM 1734 CD LYS A 114 27.243 0.789 93.192 1.00 0.00 C ATOM 1735 CE LYS A 114 26.786 2.230 93.434 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.308 3.116 92.351 1.00 0.00 N ATOM 0 H LYS A 114 25.146 -1.702 94.707 1.00 0.00 H new ATOM 0 HA LYS A 114 26.766 -2.112 92.461 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.737 -1.833 95.326 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.556 -1.323 93.863 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.768 -0.240 94.392 1.00 0.00 H new ATOM 0 HG3 LYS A 114 27.099 0.425 95.318 1.00 0.00 H new ATOM 0 HD2 LYS A 114 28.323 0.759 93.049 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.789 0.401 92.280 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.697 2.276 93.461 1.00 0.00 H new ATOM 0 HE3 LYS A 114 27.144 2.576 94.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.314 4.102 92.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 28.276 2.828 92.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 26.698 3.035 91.512 1.00 0.00 H new ATOM 1750 N ALA A 115 26.554 -4.690 94.338 1.00 0.00 N ATOM 1751 CA ALA A 115 26.977 -6.103 94.445 1.00 0.00 C ATOM 1752 C ALA A 115 26.879 -6.710 93.054 1.00 0.00 C ATOM 1753 O ALA A 115 27.732 -7.464 92.631 1.00 0.00 O ATOM 1754 CB ALA A 115 26.063 -6.863 95.407 1.00 0.00 C ATOM 0 H ALA A 115 25.711 -4.447 94.858 1.00 0.00 H new ATOM 0 HA ALA A 115 27.995 -6.167 94.829 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.388 -7.901 95.474 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.111 -6.403 96.394 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.037 -6.827 95.039 1.00 0.00 H new ATOM 1760 N LEU A 116 25.846 -6.371 92.321 1.00 0.00 N ATOM 1761 CA LEU A 116 25.722 -6.912 90.937 1.00 0.00 C ATOM 1762 C LEU A 116 26.827 -6.283 90.095 1.00 0.00 C ATOM 1763 O LEU A 116 27.246 -6.827 89.093 1.00 0.00 O ATOM 1764 CB LEU A 116 24.365 -6.535 90.330 1.00 0.00 C ATOM 1765 CG LEU A 116 23.407 -7.736 90.314 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.168 -7.376 89.497 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.075 -8.967 89.677 1.00 0.00 C ATOM 0 H LEU A 116 25.093 -5.751 92.619 1.00 0.00 H new ATOM 0 HA LEU A 116 25.804 -7.999 90.958 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.921 -5.721 90.903 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.508 -6.168 89.314 1.00 0.00 H new ATOM 0 HG LEU A 116 23.137 -7.974 91.343 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.483 -8.224 89.481 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.671 -6.517 89.948 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.464 -7.129 88.477 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.375 -9.802 89.679 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.361 -8.735 88.651 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.963 -9.236 90.249 1.00 0.00 H new ATOM 1779 N LEU A 117 27.301 -5.137 90.507 1.00 0.00 N ATOM 1780 CA LEU A 117 28.391 -4.467 89.746 1.00 0.00 C ATOM 1781 C LEU A 117 29.707 -5.140 90.128 1.00 0.00 C ATOM 1782 O LEU A 117 30.777 -4.608 89.922 1.00 0.00 O ATOM 1783 CB LEU A 117 28.453 -2.964 90.089 1.00 0.00 C ATOM 1784 CG LEU A 117 28.651 -2.133 88.809 1.00 0.00 C ATOM 1785 CD1 LEU A 117 29.980 -2.505 88.143 1.00 0.00 C ATOM 1786 CD2 LEU A 117 27.503 -2.404 87.826 1.00 0.00 C ATOM 0 H LEU A 117 26.980 -4.638 91.337 1.00 0.00 H new ATOM 0 HA LEU A 117 28.206 -4.558 88.676 1.00 0.00 H new ATOM 0 HB2 LEU A 117 27.534 -2.660 90.590 1.00 0.00 H new ATOM 0 HB3 LEU A 117 29.272 -2.776 90.783 1.00 0.00 H new ATOM 0 HG LEU A 117 28.661 -1.076 89.077 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.112 -1.912 87.238 1.00 0.00 H new ATOM 0 HD12 LEU A 117 30.801 -2.304 88.831 1.00 0.00 H new ATOM 0 HD13 LEU A 117 29.974 -3.564 87.885 1.00 0.00 H new ATOM 0 HD21 LEU A 117 27.650 -1.812 86.923 1.00 0.00 H new ATOM 0 HD22 LEU A 117 27.487 -3.463 87.568 1.00 0.00 H new ATOM 0 HD23 LEU A 117 26.555 -2.130 88.289 1.00 0.00 H new ATOM 1798 N GLN A 118 29.615 -6.315 90.690 1.00 0.00 N ATOM 1799 CA GLN A 118 30.837 -7.065 91.100 1.00 0.00 C ATOM 1800 C GLN A 118 31.625 -7.463 89.851 1.00 0.00 C ATOM 1801 O GLN A 118 31.015 -7.565 88.801 1.00 0.00 O ATOM 1802 CB GLN A 118 30.414 -8.338 91.847 1.00 0.00 C ATOM 1803 CG GLN A 118 29.428 -9.139 90.987 1.00 0.00 C ATOM 1804 CD GLN A 118 30.188 -9.892 89.891 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.769 -9.911 88.750 1.00 0.00 O ATOM 1806 NE2 GLN A 118 31.295 -10.514 90.190 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.823 -7.665 89.967 1.00 0.00 O ATOM 0 H GLN A 118 28.735 -6.793 90.885 1.00 0.00 H new ATOM 0 HA GLN A 118 31.455 -6.440 91.745 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.290 -8.946 92.075 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.952 -8.076 92.799 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.877 -9.844 91.610 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.695 -8.469 90.539 1.00 0.00 H new ATOM 0 HE21 GLN A 118 31.646 -10.498 91.147 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.809 -11.016 89.466 1.00 0.00 H new