USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1062 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: B 20 TYR OH : rot 30:sc= -0.685 USER MOD Set 1.2: B 37 SER OG : rot 106:sc= 1.89 USER MOD Set 2.1: A 20 TYR OH : rot 30:sc= -0.752 USER MOD Set 2.2: A 37 SER OG : rot 111:sc= 1.93 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -122:sc= 0.0426 USER MOD Single : A 9 CYS SG : rot -70:sc= -5.81! USER MOD Single : A 12 SER OG : rot 140:sc= -2.25 USER MOD Single : A 18 GLN : amide:sc= -3.88 K(o=-3.9,f=-8.8!) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= -0.123 (180deg=-0.476) USER MOD Single : A 29 THR OG1 : rot -170:sc= 0 USER MOD Single : A 31 SER OG : rot -170:sc= 0.828 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -115:sc= -7.93! (180deg=-11.5!) USER MOD Single : A 40 ASN : amide:sc= -0.0898 X(o=-0.09,f=-0.013) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -59:sc= 1.12 USER MOD Single : A 59 MET CE :methyl -102:sc= -13.6! (180deg=-15.3!) USER MOD Single : A 60 MET CE :methyl 152:sc= -2.53 (180deg=-5.06!) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.7 F(o=-5.1!,f=-1.7) USER MOD Single : A 74 GLN :FLIP amide:sc= -2.17 F(o=-6.5!,f=-2.2) USER MOD Single : A 78 ASN : amide:sc= -1.05 X(o=-1,f=-1) USER MOD Single : A 87 CYS SG : rot -28:sc= -0.885 USER MOD Single : A 88 HIS :FLIP no HE2:sc= -0.0637 F(o=-0.97,f=-0.064) USER MOD Single : A 90 SER OG : rot 68:sc= 0.145 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot -121:sc= 0.0368 USER MOD Single : B 9 CYS SG : rot -71:sc= -5.76! USER MOD Single : B 12 SER OG : rot 145:sc= -2.34 USER MOD Single : B 18 GLN : amide:sc= -3.8 K(o=-3.8,f=-8.9!) USER MOD Single : B 19 LYS NZ :NH3+ 162:sc= -0.106 (180deg=-0.448) USER MOD Single : B 29 THR OG1 : rot -170:sc= 0 USER MOD Single : B 31 SER OG : rot -170:sc= 0.832 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 39 MET CE :methyl -114:sc= -7.87! (180deg=-11.4!) USER MOD Single : B 40 ASN : amide:sc= -0.0629 X(o=-0.063,f=-0.016) USER MOD Single : B 41 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot -58:sc= 1.15 USER MOD Single : B 59 MET CE :methyl 137:sc= -13.8! (180deg=-15.6!) USER MOD Single : B 60 MET CE :methyl 151:sc= -2.52 (180deg=-5.02!) USER MOD Single : B 70 GLN :FLIP amide:sc= -1.6 F(o=-5.1!,f=-1.6) USER MOD Single : B 74 GLN :FLIP amide:sc= -2.19 F(o=-6.5!,f=-2.2) USER MOD Single : B 78 ASN : amide:sc= -1.03 X(o=-1,f=-1) USER MOD Single : B 87 CYS SG : rot -28:sc= -0.885 USER MOD Single : B 88 HIS :FLIP no HE2:sc= -0.0577 F(o=-0.98,f=-0.058) USER MOD Single : B 90 SER OG : rot 70:sc= 0.142 USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 7.361 -3.571 15.692 1.00 0.00 N ATOM 52 CA THR A 4 7.865 -2.396 14.986 1.00 0.00 C ATOM 53 C THR A 4 6.753 -1.671 14.248 1.00 0.00 C ATOM 54 O THR A 4 5.887 -2.286 13.626 1.00 0.00 O ATOM 55 CB THR A 4 9.016 -2.750 14.031 1.00 0.00 C ATOM 56 OG1 THR A 4 9.201 -1.724 13.073 1.00 0.00 O ATOM 57 CG2 THR A 4 8.830 -4.047 13.275 1.00 0.00 C ATOM 0 HA THR A 4 8.263 -1.720 15.743 1.00 0.00 H new ATOM 0 HB THR A 4 9.884 -2.864 14.681 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.939 -1.965 12.474 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.689 -4.216 12.626 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.742 -4.871 13.983 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.925 -3.989 12.671 1.00 0.00 H new ATOM 65 N GLU A 5 6.791 -0.345 14.335 1.00 0.00 N ATOM 66 CA GLU A 5 5.800 0.510 13.696 1.00 0.00 C ATOM 67 C GLU A 5 5.518 0.056 12.270 1.00 0.00 C ATOM 68 O GLU A 5 4.368 0.034 11.831 1.00 0.00 O ATOM 69 CB GLU A 5 6.296 1.955 13.703 1.00 0.00 C ATOM 70 CG GLU A 5 5.248 2.958 14.155 1.00 0.00 C ATOM 71 CD GLU A 5 4.979 2.889 15.645 1.00 0.00 C ATOM 72 OE1 GLU A 5 4.452 1.855 16.106 1.00 0.00 O ATOM 73 OE2 GLU A 5 5.296 3.869 16.351 1.00 0.00 O ATOM 0 H GLU A 5 7.509 0.165 14.850 1.00 0.00 H new ATOM 0 HA GLU A 5 4.868 0.441 14.257 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.164 2.029 14.359 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.631 2.220 12.700 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.578 3.964 13.895 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.320 2.777 13.613 1.00 0.00 H new ATOM 80 N THR A 6 6.570 -0.317 11.553 1.00 0.00 N ATOM 81 CA THR A 6 6.422 -0.782 10.185 1.00 0.00 C ATOM 82 C THR A 6 5.765 -2.156 10.164 1.00 0.00 C ATOM 83 O THR A 6 4.921 -2.433 9.318 1.00 0.00 O ATOM 84 CB THR A 6 7.778 -0.838 9.481 1.00 0.00 C ATOM 85 OG1 THR A 6 8.615 0.218 9.918 1.00 0.00 O ATOM 86 CG2 THR A 6 7.673 -0.746 7.973 1.00 0.00 C ATOM 0 H THR A 6 7.530 -0.306 11.896 1.00 0.00 H new ATOM 0 HA THR A 6 5.786 -0.076 9.651 1.00 0.00 H new ATOM 0 HB THR A 6 8.199 -1.809 9.742 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.887 0.760 9.148 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.670 -0.792 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 6 7.074 -1.576 7.599 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.199 0.196 7.698 1.00 0.00 H new ATOM 94 N GLU A 7 6.144 -3.009 11.112 1.00 0.00 N ATOM 95 CA GLU A 7 5.578 -4.353 11.191 1.00 0.00 C ATOM 96 C GLU A 7 4.058 -4.290 11.186 1.00 0.00 C ATOM 97 O GLU A 7 3.402 -4.927 10.362 1.00 0.00 O ATOM 98 CB GLU A 7 6.064 -5.060 12.458 1.00 0.00 C ATOM 99 CG GLU A 7 7.094 -6.145 12.187 1.00 0.00 C ATOM 100 CD GLU A 7 6.508 -7.336 11.454 1.00 0.00 C ATOM 101 OE1 GLU A 7 6.406 -7.276 10.211 1.00 0.00 O ATOM 102 OE2 GLU A 7 6.151 -8.327 12.123 1.00 0.00 O ATOM 0 H GLU A 7 6.835 -2.796 11.831 1.00 0.00 H new ATOM 0 HA GLU A 7 5.910 -4.918 10.320 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.494 -4.322 13.135 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.209 -5.501 12.970 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.910 -5.727 11.598 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.521 -6.479 13.132 1.00 0.00 H new ATOM 109 N ARG A 8 3.507 -3.501 12.095 1.00 0.00 N ATOM 110 CA ARG A 8 2.063 -3.336 12.177 1.00 0.00 C ATOM 111 C ARG A 8 1.541 -2.637 10.925 1.00 0.00 C ATOM 112 O ARG A 8 0.384 -2.810 10.541 1.00 0.00 O ATOM 113 CB ARG A 8 1.689 -2.533 13.424 1.00 0.00 C ATOM 114 CG ARG A 8 1.805 -3.326 14.715 1.00 0.00 C ATOM 115 CD ARG A 8 1.213 -2.567 15.891 1.00 0.00 C ATOM 116 NE ARG A 8 2.058 -1.448 16.302 1.00 0.00 N ATOM 117 CZ ARG A 8 1.984 -0.862 17.495 1.00 0.00 C ATOM 118 NH1 ARG A 8 1.106 -1.284 18.396 1.00 0.00 N ATOM 119 NH2 ARG A 8 2.792 0.148 17.787 1.00 0.00 N ATOM 0 H ARG A 8 4.035 -2.966 12.785 1.00 0.00 H new ATOM 0 HA ARG A 8 1.603 -4.322 12.247 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.332 -1.655 13.487 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.666 -2.172 13.320 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.293 -4.282 14.603 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.854 -3.547 14.914 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.225 -2.195 15.622 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.079 -3.248 16.732 1.00 0.00 H new ATOM 0 HE ARG A 8 2.745 -1.095 15.636 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.483 -2.061 18.176 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.054 -0.831 19.308 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.469 0.475 17.098 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.736 0.598 18.701 1.00 0.00 H new ATOM 132 N CYS A 9 2.405 -1.841 10.295 1.00 0.00 N ATOM 133 CA CYS A 9 2.039 -1.108 9.088 1.00 0.00 C ATOM 134 C CYS A 9 1.734 -2.059 7.930 1.00 0.00 C ATOM 135 O CYS A 9 0.702 -1.932 7.273 1.00 0.00 O ATOM 136 CB CYS A 9 3.153 -0.102 8.720 1.00 0.00 C ATOM 137 SG CYS A 9 4.213 -0.565 7.323 1.00 0.00 S ATOM 0 H CYS A 9 3.365 -1.689 10.603 1.00 0.00 H new ATOM 0 HA CYS A 9 1.125 -0.548 9.287 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.688 0.858 8.495 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.785 0.047 9.596 1.00 0.00 H new ATOM 0 HG CYS A 9 4.967 -1.568 7.664 1.00 0.00 H new ATOM 143 N ILE A 10 2.633 -3.006 7.680 1.00 0.00 N ATOM 144 CA ILE A 10 2.444 -3.956 6.595 1.00 0.00 C ATOM 145 C ILE A 10 1.189 -4.795 6.798 1.00 0.00 C ATOM 146 O ILE A 10 0.307 -4.822 5.944 1.00 0.00 O ATOM 147 CB ILE A 10 3.654 -4.902 6.468 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.957 -4.107 6.397 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.507 -5.790 5.244 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.794 -4.199 7.648 1.00 0.00 C ATOM 0 H ILE A 10 3.494 -3.134 8.212 1.00 0.00 H new ATOM 0 HA ILE A 10 2.340 -3.370 5.682 1.00 0.00 H new ATOM 0 HB ILE A 10 3.688 -5.535 7.355 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.544 -4.464 5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.723 -3.060 6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.370 -6.452 5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.599 -6.386 5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.447 -5.170 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.702 -3.610 7.522 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.226 -3.814 8.495 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.060 -5.240 7.832 1.00 0.00 H new ATOM 162 N GLU A 11 1.120 -5.485 7.929 1.00 0.00 N ATOM 163 CA GLU A 11 -0.022 -6.341 8.240 1.00 0.00 C ATOM 164 C GLU A 11 -1.342 -5.589 8.116 1.00 0.00 C ATOM 165 O GLU A 11 -2.387 -6.188 7.865 1.00 0.00 O ATOM 166 CB GLU A 11 0.120 -6.918 9.649 1.00 0.00 C ATOM 167 CG GLU A 11 -0.103 -8.419 9.709 1.00 0.00 C ATOM 168 CD GLU A 11 -1.389 -8.791 10.422 1.00 0.00 C ATOM 169 OE1 GLU A 11 -1.809 -8.035 11.323 1.00 0.00 O ATOM 170 OE2 GLU A 11 -1.974 -9.840 10.080 1.00 0.00 O ATOM 0 H GLU A 11 1.842 -5.470 8.649 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.032 -7.154 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.116 -6.690 10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.593 -6.425 10.310 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.125 -8.820 8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.739 -8.887 10.219 1.00 0.00 H new ATOM 177 N SER A 12 -1.289 -4.282 8.319 1.00 0.00 N ATOM 178 CA SER A 12 -2.483 -3.451 8.258 1.00 0.00 C ATOM 179 C SER A 12 -3.119 -3.433 6.863 1.00 0.00 C ATOM 180 O SER A 12 -4.307 -3.718 6.722 1.00 0.00 O ATOM 181 CB SER A 12 -2.141 -2.025 8.694 1.00 0.00 C ATOM 182 OG SER A 12 -3.086 -1.541 9.632 1.00 0.00 O ATOM 0 H SER A 12 -0.431 -3.772 8.528 1.00 0.00 H new ATOM 0 HA SER A 12 -3.216 -3.886 8.938 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.144 -2.004 9.133 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.119 -1.370 7.823 1.00 0.00 H new ATOM 0 HG SER A 12 -2.623 -1.032 10.330 1.00 0.00 H new ATOM 188 N LEU A 13 -2.344 -3.068 5.843 1.00 0.00 N ATOM 189 CA LEU A 13 -2.863 -2.980 4.478 1.00 0.00 C ATOM 190 C LEU A 13 -3.091 -4.345 3.823 1.00 0.00 C ATOM 191 O LEU A 13 -3.951 -4.488 2.955 1.00 0.00 O ATOM 192 CB LEU A 13 -1.915 -2.146 3.628 1.00 0.00 C ATOM 193 CG LEU A 13 -2.225 -0.653 3.612 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.544 -0.391 2.912 1.00 0.00 C ATOM 195 CD2 LEU A 13 -2.274 -0.092 5.018 1.00 0.00 C ATOM 0 H LEU A 13 -1.357 -2.829 5.935 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.841 -2.503 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.898 -2.289 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.941 -2.520 2.605 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.425 -0.154 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.749 0.680 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.489 -0.752 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.344 -0.913 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.497 0.974 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.051 -0.603 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.310 -0.243 5.504 1.00 0.00 H new ATOM 207 N ILE A 14 -2.328 -5.345 4.217 1.00 0.00 N ATOM 208 CA ILE A 14 -2.481 -6.666 3.643 1.00 0.00 C ATOM 209 C ILE A 14 -3.807 -7.278 4.017 1.00 0.00 C ATOM 210 O ILE A 14 -4.409 -8.016 3.245 1.00 0.00 O ATOM 211 CB ILE A 14 -1.426 -7.634 4.164 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.046 -7.017 4.165 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.444 -8.898 3.347 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.825 -7.619 5.232 1.00 0.00 C ATOM 0 H ILE A 14 -1.600 -5.269 4.928 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.392 -6.525 2.566 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.670 -7.873 5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.419 -7.161 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.127 -5.942 4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.687 -9.586 3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.427 -9.364 3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.231 -8.661 2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.810 -7.152 5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.372 -7.452 6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.926 -8.690 5.058 1.00 0.00 H new ATOM 226 N ALA A 15 -4.214 -7.011 5.237 1.00 0.00 N ATOM 227 CA ALA A 15 -5.419 -7.582 5.786 1.00 0.00 C ATOM 228 C ALA A 15 -6.675 -6.885 5.293 1.00 0.00 C ATOM 229 O ALA A 15 -7.702 -7.533 5.089 1.00 0.00 O ATOM 230 CB ALA A 15 -5.295 -7.578 7.289 1.00 0.00 C ATOM 0 H ALA A 15 -3.717 -6.391 5.876 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.528 -8.609 5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.196 -8.006 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.430 -8.171 7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.170 -6.554 7.641 1.00 0.00 H new ATOM 236 N VAL A 16 -6.593 -5.582 5.046 1.00 0.00 N ATOM 237 CA VAL A 16 -7.730 -4.858 4.513 1.00 0.00 C ATOM 238 C VAL A 16 -8.216 -5.596 3.276 1.00 0.00 C ATOM 239 O VAL A 16 -9.415 -5.715 3.021 1.00 0.00 O ATOM 240 CB VAL A 16 -7.331 -3.426 4.127 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.762 -2.693 5.322 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.314 -3.451 3.008 1.00 0.00 C ATOM 0 H VAL A 16 -5.760 -5.016 5.206 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.514 -4.801 5.268 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.223 -2.901 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.485 -1.680 5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.511 -2.650 6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.880 -3.220 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.039 -2.430 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.426 -3.993 3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.742 -3.949 2.138 1.00 0.00 H new ATOM 252 N PHE A 17 -7.241 -6.112 2.531 1.00 0.00 N ATOM 253 CA PHE A 17 -7.509 -6.879 1.323 1.00 0.00 C ATOM 254 C PHE A 17 -7.966 -8.295 1.684 1.00 0.00 C ATOM 255 O PHE A 17 -9.055 -8.717 1.299 1.00 0.00 O ATOM 256 CB PHE A 17 -6.246 -6.920 0.448 1.00 0.00 C ATOM 257 CG PHE A 17 -6.126 -8.134 -0.434 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.997 -8.329 -1.495 1.00 0.00 C ATOM 259 CD2 PHE A 17 -5.138 -9.076 -0.201 1.00 0.00 C ATOM 260 CE1 PHE A 17 -6.881 -9.443 -2.307 1.00 0.00 C ATOM 261 CE2 PHE A 17 -5.018 -10.191 -1.008 1.00 0.00 C ATOM 262 CZ PHE A 17 -5.891 -10.375 -2.063 1.00 0.00 C ATOM 0 H PHE A 17 -6.250 -6.010 2.748 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.310 -6.398 0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.227 -6.029 -0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.371 -6.872 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.774 -7.604 -1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.453 -8.937 0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.564 -9.584 -3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.243 -10.918 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.800 -11.246 -2.696 1.00 0.00 H new ATOM 272 N GLN A 18 -7.126 -9.021 2.427 1.00 0.00 N ATOM 273 CA GLN A 18 -7.439 -10.394 2.837 1.00 0.00 C ATOM 274 C GLN A 18 -8.834 -10.509 3.436 1.00 0.00 C ATOM 275 O GLN A 18 -9.589 -11.421 3.101 1.00 0.00 O ATOM 276 CB GLN A 18 -6.433 -10.893 3.880 1.00 0.00 C ATOM 277 CG GLN A 18 -4.984 -10.636 3.522 1.00 0.00 C ATOM 278 CD GLN A 18 -4.408 -11.719 2.640 1.00 0.00 C ATOM 279 OE1 GLN A 18 -3.527 -12.475 3.051 1.00 0.00 O ATOM 280 NE2 GLN A 18 -4.910 -11.796 1.415 1.00 0.00 N ATOM 0 H GLN A 18 -6.223 -8.681 2.757 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.386 -11.002 1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.650 -10.414 4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.576 -11.964 4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.903 -9.675 3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.394 -10.563 4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.639 -11.146 1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.567 -12.505 0.767 1.00 0.00 H new ATOM 289 N LYS A 19 -9.160 -9.600 4.345 1.00 0.00 N ATOM 290 CA LYS A 19 -10.455 -9.626 5.014 1.00 0.00 C ATOM 291 C LYS A 19 -11.599 -9.804 4.021 1.00 0.00 C ATOM 292 O LYS A 19 -12.428 -10.703 4.173 1.00 0.00 O ATOM 293 CB LYS A 19 -10.651 -8.330 5.801 1.00 0.00 C ATOM 294 CG LYS A 19 -11.866 -8.342 6.711 1.00 0.00 C ATOM 295 CD LYS A 19 -11.614 -9.160 7.967 1.00 0.00 C ATOM 296 CE LYS A 19 -10.547 -8.521 8.842 1.00 0.00 C ATOM 297 NZ LYS A 19 -10.876 -7.108 9.178 1.00 0.00 N ATOM 0 H LYS A 19 -8.548 -8.837 4.636 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.466 -10.479 5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.761 -8.143 6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.742 -7.501 5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.125 -7.320 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.720 -8.753 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.541 -9.256 8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.304 -10.168 7.690 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.439 -9.097 9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.586 -8.558 8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.300 -6.800 9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.675 -6.500 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.884 -7.035 9.424 1.00 0.00 H new ATOM 311 N TYR A 20 -11.627 -8.968 2.992 1.00 0.00 N ATOM 312 CA TYR A 20 -12.655 -9.063 1.966 1.00 0.00 C ATOM 313 C TYR A 20 -12.301 -10.147 0.961 1.00 0.00 C ATOM 314 O TYR A 20 -13.170 -10.764 0.344 1.00 0.00 O ATOM 315 CB TYR A 20 -12.856 -7.716 1.274 1.00 0.00 C ATOM 316 CG TYR A 20 -14.115 -7.009 1.722 1.00 0.00 C ATOM 317 CD1 TYR A 20 -14.122 -6.226 2.867 1.00 0.00 C ATOM 318 CD2 TYR A 20 -15.298 -7.135 1.007 1.00 0.00 C ATOM 319 CE1 TYR A 20 -15.272 -5.585 3.288 1.00 0.00 C ATOM 320 CE2 TYR A 20 -16.454 -6.499 1.420 1.00 0.00 C ATOM 321 CZ TYR A 20 -16.435 -5.725 2.560 1.00 0.00 C ATOM 322 OH TYR A 20 -17.582 -5.091 2.977 1.00 0.00 O ATOM 0 H TYR A 20 -10.951 -8.218 2.846 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.596 -9.336 2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.995 -7.078 1.475 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -12.895 -7.869 0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.213 -6.115 3.440 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.316 -7.740 0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.260 -4.978 4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -17.366 -6.608 0.853 1.00 0.00 H new ATOM 0 HH TYR A 20 -17.346 -4.266 3.450 1.00 0.00 H new ATOM 332 N ALA A 21 -11.001 -10.343 0.794 1.00 0.00 N ATOM 333 CA ALA A 21 -10.464 -11.313 -0.142 1.00 0.00 C ATOM 334 C ALA A 21 -10.403 -12.721 0.453 1.00 0.00 C ATOM 335 O ALA A 21 -9.763 -13.608 -0.111 1.00 0.00 O ATOM 336 CB ALA A 21 -9.084 -10.850 -0.569 1.00 0.00 C ATOM 0 H ALA A 21 -10.286 -9.829 1.309 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.128 -11.374 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.662 -11.566 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.160 -9.873 -1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.438 -10.778 0.306 1.00 0.00 H new ATOM 342 N GLY A 22 -11.068 -12.924 1.587 1.00 0.00 N ATOM 343 CA GLY A 22 -11.064 -14.231 2.217 1.00 0.00 C ATOM 344 C GLY A 22 -10.943 -14.154 3.725 1.00 0.00 C ATOM 345 O GLY A 22 -9.982 -13.593 4.251 1.00 0.00 O ATOM 0 H GLY A 22 -11.607 -12.210 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.982 -14.758 1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.236 -14.818 1.820 1.00 0.00 H new ATOM 419 N VAL A 28 -5.962 -15.717 -3.555 1.00 0.00 N ATOM 420 CA VAL A 28 -5.080 -14.564 -3.417 1.00 0.00 C ATOM 421 C VAL A 28 -5.654 -13.338 -4.119 1.00 0.00 C ATOM 422 O VAL A 28 -4.921 -12.415 -4.474 1.00 0.00 O ATOM 423 CB VAL A 28 -3.679 -14.859 -3.984 1.00 0.00 C ATOM 424 CG1 VAL A 28 -2.916 -15.798 -3.063 1.00 0.00 C ATOM 425 CG2 VAL A 28 -3.782 -15.441 -5.386 1.00 0.00 C ATOM 0 HA VAL A 28 -4.997 -14.358 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.127 -13.921 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.929 -15.995 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.809 -15.337 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.462 -16.736 -2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.782 -15.643 -5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.353 -16.369 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.285 -14.728 -6.040 1.00 0.00 H new ATOM 435 N THR A 29 -6.969 -13.333 -4.315 1.00 0.00 N ATOM 436 CA THR A 29 -7.640 -12.218 -4.972 1.00 0.00 C ATOM 437 C THR A 29 -8.835 -11.745 -4.149 1.00 0.00 C ATOM 438 O THR A 29 -9.034 -12.185 -3.016 1.00 0.00 O ATOM 439 CB THR A 29 -8.087 -12.620 -6.377 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.489 -13.979 -6.407 1.00 0.00 O ATOM 441 CG2 THR A 29 -7.007 -12.435 -7.421 1.00 0.00 C ATOM 0 H THR A 29 -7.591 -14.089 -4.028 1.00 0.00 H new ATOM 0 HA THR A 29 -6.933 -11.393 -5.053 1.00 0.00 H new ATOM 0 HB THR A 29 -8.920 -11.959 -6.617 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.620 -14.261 -7.336 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.388 -12.738 -8.396 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.711 -11.386 -7.457 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.143 -13.047 -7.163 1.00 0.00 H new ATOM 449 N LEU A 30 -9.622 -10.841 -4.720 1.00 0.00 N ATOM 450 CA LEU A 30 -10.792 -10.301 -4.034 1.00 0.00 C ATOM 451 C LEU A 30 -11.953 -10.082 -5.020 1.00 0.00 C ATOM 452 O LEU A 30 -12.392 -11.024 -5.675 1.00 0.00 O ATOM 453 CB LEU A 30 -10.408 -8.997 -3.317 1.00 0.00 C ATOM 454 CG LEU A 30 -11.239 -8.651 -2.077 1.00 0.00 C ATOM 455 CD1 LEU A 30 -11.060 -7.187 -1.717 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.711 -8.975 -2.293 1.00 0.00 C ATOM 0 H LEU A 30 -9.472 -10.466 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.135 -11.019 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.360 -9.060 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.491 -8.175 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.883 -9.262 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.656 -6.954 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.009 -6.990 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.387 -6.565 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.275 -8.719 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.090 -8.399 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.823 -10.039 -2.500 1.00 0.00 H new ATOM 468 N SER A 31 -12.447 -8.843 -5.127 1.00 0.00 N ATOM 469 CA SER A 31 -13.542 -8.527 -6.033 1.00 0.00 C ATOM 470 C SER A 31 -13.764 -7.017 -6.083 1.00 0.00 C ATOM 471 O SER A 31 -13.846 -6.359 -5.046 1.00 0.00 O ATOM 472 CB SER A 31 -14.823 -9.247 -5.594 1.00 0.00 C ATOM 473 OG SER A 31 -15.959 -8.405 -5.710 1.00 0.00 O ATOM 0 H SER A 31 -12.101 -8.046 -4.593 1.00 0.00 H new ATOM 0 HA SER A 31 -13.281 -8.872 -7.033 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.967 -10.140 -6.203 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.719 -9.579 -4.561 1.00 0.00 H new ATOM 0 HG SER A 31 -16.728 -8.832 -5.278 1.00 0.00 H new ATOM 479 N LYS A 32 -13.851 -6.472 -7.292 1.00 0.00 N ATOM 480 CA LYS A 32 -14.051 -5.036 -7.475 1.00 0.00 C ATOM 481 C LYS A 32 -15.216 -4.530 -6.624 1.00 0.00 C ATOM 482 O LYS A 32 -15.142 -3.457 -6.025 1.00 0.00 O ATOM 483 CB LYS A 32 -14.314 -4.722 -8.949 1.00 0.00 C ATOM 484 CG LYS A 32 -13.205 -5.186 -9.878 1.00 0.00 C ATOM 485 CD LYS A 32 -13.516 -4.851 -11.328 1.00 0.00 C ATOM 486 CE LYS A 32 -14.800 -5.519 -11.792 1.00 0.00 C ATOM 487 NZ LYS A 32 -14.691 -6.023 -13.188 1.00 0.00 N ATOM 0 H LYS A 32 -13.786 -7.002 -8.161 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.142 -4.527 -7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.250 -5.193 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.447 -3.646 -9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.266 -4.715 -9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.068 -6.262 -9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.605 -3.771 -11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.689 -5.171 -11.962 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.040 -6.347 -11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.623 -4.808 -11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.587 -6.471 -13.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.487 -5.229 -13.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.922 -6.721 -13.246 1.00 0.00 H new ATOM 501 N THR A 33 -16.292 -5.311 -6.581 1.00 0.00 N ATOM 502 CA THR A 33 -17.475 -4.953 -5.813 1.00 0.00 C ATOM 503 C THR A 33 -17.232 -5.137 -4.316 1.00 0.00 C ATOM 504 O THR A 33 -17.627 -4.302 -3.509 1.00 0.00 O ATOM 505 CB THR A 33 -18.672 -5.791 -6.280 1.00 0.00 C ATOM 506 OG1 THR A 33 -19.383 -5.119 -7.303 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.661 -6.119 -5.181 1.00 0.00 C ATOM 0 H THR A 33 -16.366 -6.201 -7.073 1.00 0.00 H new ATOM 0 HA THR A 33 -17.696 -3.899 -5.983 1.00 0.00 H new ATOM 0 HB THR A 33 -18.237 -6.725 -6.637 1.00 0.00 H new ATOM 0 HG1 THR A 33 -20.142 -5.669 -7.590 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.477 -6.713 -5.592 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.159 -6.685 -4.397 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.060 -5.195 -4.763 1.00 0.00 H new ATOM 515 N GLU A 34 -16.574 -6.229 -3.945 1.00 0.00 N ATOM 516 CA GLU A 34 -16.289 -6.486 -2.538 1.00 0.00 C ATOM 517 C GLU A 34 -15.527 -5.310 -1.933 1.00 0.00 C ATOM 518 O GLU A 34 -15.641 -5.024 -0.742 1.00 0.00 O ATOM 519 CB GLU A 34 -15.491 -7.779 -2.379 1.00 0.00 C ATOM 520 CG GLU A 34 -16.315 -8.923 -1.813 1.00 0.00 C ATOM 521 CD GLU A 34 -16.555 -10.026 -2.827 1.00 0.00 C ATOM 522 OE1 GLU A 34 -15.674 -10.899 -2.976 1.00 0.00 O ATOM 523 OE2 GLU A 34 -17.627 -10.018 -3.469 1.00 0.00 O ATOM 0 H GLU A 34 -16.232 -6.942 -4.589 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.234 -6.601 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.090 -8.073 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.639 -7.595 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.805 -9.338 -0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -17.274 -8.538 -1.466 1.00 0.00 H new ATOM 530 N PHE A 35 -14.768 -4.624 -2.779 1.00 0.00 N ATOM 531 CA PHE A 35 -13.998 -3.462 -2.358 1.00 0.00 C ATOM 532 C PHE A 35 -14.935 -2.302 -2.031 1.00 0.00 C ATOM 533 O PHE A 35 -14.651 -1.476 -1.165 1.00 0.00 O ATOM 534 CB PHE A 35 -13.038 -3.049 -3.475 1.00 0.00 C ATOM 535 CG PHE A 35 -11.708 -2.546 -2.993 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.607 -1.778 -1.844 1.00 0.00 C ATOM 537 CD2 PHE A 35 -10.558 -2.839 -3.703 1.00 0.00 C ATOM 538 CE1 PHE A 35 -10.379 -1.312 -1.413 1.00 0.00 C ATOM 539 CE2 PHE A 35 -9.331 -2.378 -3.277 1.00 0.00 C ATOM 540 CZ PHE A 35 -9.239 -1.613 -2.132 1.00 0.00 C ATOM 0 H PHE A 35 -14.670 -4.855 -3.768 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.427 -3.719 -1.466 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.874 -3.904 -4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.511 -2.272 -4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.497 -1.541 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.622 -3.436 -4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.311 -0.714 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.440 -2.616 -3.840 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.278 -1.251 -1.799 1.00 0.00 H new ATOM 550 N LEU A 36 -16.055 -2.253 -2.746 1.00 0.00 N ATOM 551 CA LEU A 36 -17.048 -1.201 -2.560 1.00 0.00 C ATOM 552 C LEU A 36 -17.472 -1.080 -1.114 1.00 0.00 C ATOM 553 O LEU A 36 -17.359 -0.020 -0.497 1.00 0.00 O ATOM 554 CB LEU A 36 -18.294 -1.519 -3.384 1.00 0.00 C ATOM 555 CG LEU A 36 -18.359 -0.841 -4.732 1.00 0.00 C ATOM 556 CD1 LEU A 36 -18.456 0.663 -4.541 1.00 0.00 C ATOM 557 CD2 LEU A 36 -17.145 -1.217 -5.564 1.00 0.00 C ATOM 0 H LEU A 36 -16.298 -2.935 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.590 -0.265 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.346 -2.597 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.174 -1.234 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.247 -1.176 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -18.503 1.151 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -19.355 0.900 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.580 1.018 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -17.202 -0.723 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -16.238 -0.901 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -17.123 -2.297 -5.708 1.00 0.00 H new ATOM 569 N SER A 37 -17.995 -2.174 -0.602 1.00 0.00 N ATOM 570 CA SER A 37 -18.489 -2.212 0.760 1.00 0.00 C ATOM 571 C SER A 37 -17.393 -1.884 1.772 1.00 0.00 C ATOM 572 O SER A 37 -17.629 -1.161 2.740 1.00 0.00 O ATOM 573 CB SER A 37 -19.096 -3.581 1.069 1.00 0.00 C ATOM 574 OG SER A 37 -18.325 -4.622 0.493 1.00 0.00 O ATOM 0 H SER A 37 -18.090 -3.053 -1.110 1.00 0.00 H new ATOM 0 HA SER A 37 -19.261 -1.448 0.848 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.154 -3.721 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.116 -3.625 0.687 1.00 0.00 H new ATOM 0 HG SER A 37 -17.888 -5.137 1.203 1.00 0.00 H new ATOM 580 N PHE A 38 -16.198 -2.424 1.550 1.00 0.00 N ATOM 581 CA PHE A 38 -15.076 -2.189 2.455 1.00 0.00 C ATOM 582 C PHE A 38 -14.774 -0.702 2.589 1.00 0.00 C ATOM 583 O PHE A 38 -14.590 -0.192 3.694 1.00 0.00 O ATOM 584 CB PHE A 38 -13.826 -2.921 1.967 1.00 0.00 C ATOM 585 CG PHE A 38 -12.660 -2.796 2.907 1.00 0.00 C ATOM 586 CD1 PHE A 38 -12.573 -3.597 4.034 1.00 0.00 C ATOM 587 CD2 PHE A 38 -11.653 -1.876 2.665 1.00 0.00 C ATOM 588 CE1 PHE A 38 -11.504 -3.483 4.902 1.00 0.00 C ATOM 589 CE2 PHE A 38 -10.580 -1.757 3.528 1.00 0.00 C ATOM 590 CZ PHE A 38 -10.506 -2.563 4.648 1.00 0.00 C ATOM 0 H PHE A 38 -15.982 -3.025 0.755 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.361 -2.576 3.433 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.062 -3.976 1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.541 -2.528 0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -13.350 -4.319 4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.707 -1.244 1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.449 -4.113 5.778 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.801 -1.036 3.328 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.668 -2.474 5.324 1.00 0.00 H new ATOM 600 N MET A 39 -14.713 -0.012 1.458 1.00 0.00 N ATOM 601 CA MET A 39 -14.422 1.416 1.451 1.00 0.00 C ATOM 602 C MET A 39 -15.467 2.196 2.245 1.00 0.00 C ATOM 603 O MET A 39 -15.130 3.023 3.091 1.00 0.00 O ATOM 604 CB MET A 39 -14.364 1.937 0.013 1.00 0.00 C ATOM 605 CG MET A 39 -14.062 3.425 -0.083 1.00 0.00 C ATOM 606 SD MET A 39 -12.488 3.767 -0.894 1.00 0.00 S ATOM 607 CE MET A 39 -11.349 2.962 0.230 1.00 0.00 C ATOM 0 H MET A 39 -14.861 -0.417 0.534 1.00 0.00 H new ATOM 0 HA MET A 39 -13.452 1.563 1.926 1.00 0.00 H new ATOM 0 HB2 MET A 39 -13.601 1.384 -0.535 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.317 1.736 -0.476 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.863 3.919 -0.632 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.050 3.854 0.919 1.00 0.00 H new ATOM 0 HE1 MET A 39 -10.706 3.710 0.694 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.910 2.437 1.003 1.00 0.00 H new ATOM 0 HE3 MET A 39 -10.737 2.249 -0.322 1.00 0.00 H new ATOM 617 N ASN A 40 -16.734 1.937 1.950 1.00 0.00 N ATOM 618 CA ASN A 40 -17.838 2.621 2.616 1.00 0.00 C ATOM 619 C ASN A 40 -18.039 2.143 4.056 1.00 0.00 C ATOM 620 O ASN A 40 -18.683 2.826 4.853 1.00 0.00 O ATOM 621 CB ASN A 40 -19.130 2.421 1.821 1.00 0.00 C ATOM 622 CG ASN A 40 -19.045 3.003 0.424 1.00 0.00 C ATOM 623 OD1 ASN A 40 -18.947 4.217 0.249 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.081 2.136 -0.584 1.00 0.00 N ATOM 0 H ASN A 40 -17.025 1.255 1.250 1.00 0.00 H new ATOM 0 HA ASN A 40 -17.583 3.680 2.657 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.352 1.356 1.755 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -19.958 2.886 2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.027 2.470 -1.546 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.163 1.137 -0.395 1.00 0.00 H new ATOM 631 N THR A 41 -17.519 0.963 4.384 1.00 0.00 N ATOM 632 CA THR A 41 -17.689 0.411 5.730 1.00 0.00 C ATOM 633 C THR A 41 -16.473 0.638 6.622 1.00 0.00 C ATOM 634 O THR A 41 -16.608 0.741 7.842 1.00 0.00 O ATOM 635 CB THR A 41 -17.992 -1.088 5.656 1.00 0.00 C ATOM 636 OG1 THR A 41 -18.478 -1.563 6.898 1.00 0.00 O ATOM 637 CG2 THR A 41 -16.797 -1.936 5.279 1.00 0.00 C ATOM 0 H THR A 41 -16.982 0.375 3.747 1.00 0.00 H new ATOM 0 HA THR A 41 -18.528 0.943 6.179 1.00 0.00 H new ATOM 0 HB THR A 41 -18.741 -1.185 4.870 1.00 0.00 H new ATOM 0 HG1 THR A 41 -18.667 -2.522 6.830 1.00 0.00 H new ATOM 0 HG21 THR A 41 -17.091 -2.985 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 41 -16.430 -1.632 4.299 1.00 0.00 H new ATOM 0 HG23 THR A 41 -16.008 -1.802 6.019 1.00 0.00 H new ATOM 645 N GLU A 42 -15.286 0.676 6.031 1.00 0.00 N ATOM 646 CA GLU A 42 -14.067 0.844 6.817 1.00 0.00 C ATOM 647 C GLU A 42 -13.147 1.913 6.234 1.00 0.00 C ATOM 648 O GLU A 42 -11.941 1.906 6.482 1.00 0.00 O ATOM 649 CB GLU A 42 -13.326 -0.492 6.910 1.00 0.00 C ATOM 650 CG GLU A 42 -14.240 -1.707 6.780 1.00 0.00 C ATOM 651 CD GLU A 42 -13.779 -2.877 7.628 1.00 0.00 C ATOM 652 OE1 GLU A 42 -12.587 -3.241 7.539 1.00 0.00 O ATOM 653 OE2 GLU A 42 -14.609 -3.429 8.380 1.00 0.00 O ATOM 0 H GLU A 42 -15.140 0.594 5.025 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.359 1.177 7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.568 -0.533 6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.802 -0.542 7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.253 -1.428 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.283 -2.015 5.735 1.00 0.00 H new ATOM 660 N LEU A 43 -13.719 2.838 5.473 1.00 0.00 N ATOM 661 CA LEU A 43 -12.948 3.918 4.870 1.00 0.00 C ATOM 662 C LEU A 43 -13.870 5.040 4.412 1.00 0.00 C ATOM 663 O LEU A 43 -13.823 5.471 3.259 1.00 0.00 O ATOM 664 CB LEU A 43 -12.118 3.397 3.692 1.00 0.00 C ATOM 665 CG LEU A 43 -10.752 2.809 4.064 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.940 2.508 2.815 1.00 0.00 C ATOM 667 CD2 LEU A 43 -9.990 3.757 4.979 1.00 0.00 C ATOM 0 H LEU A 43 -14.716 2.862 5.259 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.267 4.313 5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.695 2.632 3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.964 4.214 2.987 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.918 1.874 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.974 2.091 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.477 1.789 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.786 3.428 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.023 3.321 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.837 4.709 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.563 3.921 5.892 1.00 0.00 H new ATOM 679 N ALA A 44 -14.707 5.512 5.330 1.00 0.00 N ATOM 680 CA ALA A 44 -15.641 6.588 5.032 1.00 0.00 C ATOM 681 C ALA A 44 -14.913 7.922 4.968 1.00 0.00 C ATOM 682 O ALA A 44 -15.333 8.840 4.268 1.00 0.00 O ATOM 683 CB ALA A 44 -16.750 6.634 6.071 1.00 0.00 C ATOM 0 H ALA A 44 -14.756 5.165 6.288 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.091 6.395 4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.439 7.444 5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.289 5.687 6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.318 6.804 7.057 1.00 0.00 H new ATOM 689 N ALA A 45 -13.806 8.016 5.694 1.00 0.00 N ATOM 690 CA ALA A 45 -13.006 9.231 5.708 1.00 0.00 C ATOM 691 C ALA A 45 -12.493 9.552 4.305 1.00 0.00 C ATOM 692 O ALA A 45 -12.118 10.689 4.015 1.00 0.00 O ATOM 693 CB ALA A 45 -11.847 9.076 6.680 1.00 0.00 C ATOM 0 H ALA A 45 -13.443 7.265 6.280 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.631 10.061 6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.252 9.989 6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.235 8.889 7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.222 8.238 6.371 1.00 0.00 H new ATOM 699 N PHE A 46 -12.479 8.539 3.443 1.00 0.00 N ATOM 700 CA PHE A 46 -12.015 8.698 2.071 1.00 0.00 C ATOM 701 C PHE A 46 -13.189 8.903 1.115 1.00 0.00 C ATOM 702 O PHE A 46 -13.056 9.567 0.087 1.00 0.00 O ATOM 703 CB PHE A 46 -11.212 7.467 1.647 1.00 0.00 C ATOM 704 CG PHE A 46 -9.838 7.407 2.249 1.00 0.00 C ATOM 705 CD1 PHE A 46 -9.667 7.094 3.588 1.00 0.00 C ATOM 706 CD2 PHE A 46 -8.717 7.663 1.477 1.00 0.00 C ATOM 707 CE1 PHE A 46 -8.403 7.036 4.145 1.00 0.00 C ATOM 708 CE2 PHE A 46 -7.452 7.608 2.027 1.00 0.00 C ATOM 709 CZ PHE A 46 -7.294 7.293 3.362 1.00 0.00 C ATOM 0 H PHE A 46 -12.786 7.594 3.674 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.378 9.582 2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.763 6.570 1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.124 7.458 0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.531 6.893 4.204 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.834 7.909 0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.283 6.790 5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.587 7.811 1.414 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.305 7.248 3.794 1.00 0.00 H new ATOM 719 N THR A 47 -14.337 8.324 1.459 1.00 0.00 N ATOM 720 CA THR A 47 -15.532 8.435 0.628 1.00 0.00 C ATOM 721 C THR A 47 -16.747 8.833 1.462 1.00 0.00 C ATOM 722 O THR A 47 -17.831 8.270 1.308 1.00 0.00 O ATOM 723 CB THR A 47 -15.799 7.108 -0.083 1.00 0.00 C ATOM 724 OG1 THR A 47 -17.040 7.144 -0.765 1.00 0.00 O ATOM 725 CG2 THR A 47 -15.824 5.924 0.857 1.00 0.00 C ATOM 0 H THR A 47 -14.464 7.773 2.308 1.00 0.00 H new ATOM 0 HA THR A 47 -15.359 9.214 -0.114 1.00 0.00 H new ATOM 0 HB THR A 47 -14.971 6.981 -0.781 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.761 7.316 -0.124 1.00 0.00 H new ATOM 0 HG21 THR A 47 -16.018 5.013 0.290 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.861 5.839 1.361 1.00 0.00 H new ATOM 0 HG23 THR A 47 -16.611 6.064 1.598 1.00 0.00 H new ATOM 841 N VAL A 55 -11.389 10.476 -6.098 1.00 0.00 N ATOM 842 CA VAL A 55 -10.377 9.719 -5.369 1.00 0.00 C ATOM 843 C VAL A 55 -10.582 8.213 -5.528 1.00 0.00 C ATOM 844 O VAL A 55 -9.728 7.510 -6.069 1.00 0.00 O ATOM 845 CB VAL A 55 -10.392 10.068 -3.869 1.00 0.00 C ATOM 846 CG1 VAL A 55 -9.241 9.386 -3.145 1.00 0.00 C ATOM 847 CG2 VAL A 55 -10.339 11.576 -3.672 1.00 0.00 C ATOM 0 HA VAL A 55 -9.413 9.995 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.324 9.700 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.271 9.647 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.331 8.305 -3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.295 9.717 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.350 11.804 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.425 11.969 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.203 12.036 -4.151 1.00 0.00 H new ATOM 857 N LEU A 56 -11.719 7.728 -5.037 1.00 0.00 N ATOM 858 CA LEU A 56 -12.053 6.315 -5.098 1.00 0.00 C ATOM 859 C LEU A 56 -12.479 5.895 -6.503 1.00 0.00 C ATOM 860 O LEU A 56 -11.983 4.911 -7.051 1.00 0.00 O ATOM 861 CB LEU A 56 -13.186 6.038 -4.105 1.00 0.00 C ATOM 862 CG LEU A 56 -14.129 4.899 -4.484 1.00 0.00 C ATOM 863 CD1 LEU A 56 -14.625 4.184 -3.242 1.00 0.00 C ATOM 864 CD2 LEU A 56 -15.298 5.423 -5.306 1.00 0.00 C ATOM 0 H LEU A 56 -12.430 8.304 -4.588 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.167 5.735 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.747 5.814 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.773 6.949 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.577 4.183 -5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -15.296 3.375 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.776 3.773 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.160 4.889 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.959 4.596 -5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -15.851 6.160 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -14.922 5.888 -6.217 1.00 0.00 H new ATOM 876 N ASP A 57 -13.426 6.635 -7.058 1.00 0.00 N ATOM 877 CA ASP A 57 -13.964 6.344 -8.382 1.00 0.00 C ATOM 878 C ASP A 57 -12.874 6.274 -9.451 1.00 0.00 C ATOM 879 O ASP A 57 -12.941 5.442 -10.355 1.00 0.00 O ATOM 880 CB ASP A 57 -14.996 7.405 -8.760 1.00 0.00 C ATOM 881 CG ASP A 57 -16.029 6.887 -9.742 1.00 0.00 C ATOM 882 OD1 ASP A 57 -16.803 5.981 -9.366 1.00 0.00 O ATOM 883 OD2 ASP A 57 -16.064 7.386 -10.886 1.00 0.00 O ATOM 0 H ASP A 57 -13.843 7.450 -6.608 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.435 5.362 -8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.500 7.755 -7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.486 8.265 -9.194 1.00 0.00 H new ATOM 888 N ARG A 58 -11.880 7.149 -9.355 1.00 0.00 N ATOM 889 CA ARG A 58 -10.794 7.173 -10.332 1.00 0.00 C ATOM 890 C ARG A 58 -9.823 6.015 -10.124 1.00 0.00 C ATOM 891 O ARG A 58 -9.237 5.507 -11.080 1.00 0.00 O ATOM 892 CB ARG A 58 -10.032 8.496 -10.254 1.00 0.00 C ATOM 893 CG ARG A 58 -10.790 9.673 -10.847 1.00 0.00 C ATOM 894 CD ARG A 58 -9.862 10.613 -11.604 1.00 0.00 C ATOM 895 NE ARG A 58 -9.701 11.894 -10.919 1.00 0.00 N ATOM 896 CZ ARG A 58 -8.878 12.088 -9.890 1.00 0.00 C ATOM 897 NH1 ARG A 58 -8.145 11.087 -9.419 1.00 0.00 N ATOM 898 NH2 ARG A 58 -8.787 13.287 -9.332 1.00 0.00 N ATOM 0 H ARG A 58 -11.802 7.848 -8.616 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.245 7.069 -11.319 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.802 8.712 -9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.080 8.388 -10.775 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.565 9.306 -11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.293 10.221 -10.050 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.887 10.141 -11.723 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.258 10.785 -12.605 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.252 12.687 -11.249 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.210 10.163 -9.845 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.517 11.242 -8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.347 14.060 -9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.157 13.436 -8.544 1.00 0.00 H new ATOM 911 N MET A 59 -9.642 5.614 -8.872 1.00 0.00 N ATOM 912 CA MET A 59 -8.734 4.538 -8.536 1.00 0.00 C ATOM 913 C MET A 59 -9.297 3.174 -8.923 1.00 0.00 C ATOM 914 O MET A 59 -8.632 2.389 -9.600 1.00 0.00 O ATOM 915 CB MET A 59 -8.437 4.596 -7.040 1.00 0.00 C ATOM 916 CG MET A 59 -7.903 3.300 -6.486 1.00 0.00 C ATOM 917 SD MET A 59 -9.217 2.209 -5.922 1.00 0.00 S ATOM 918 CE MET A 59 -9.796 3.087 -4.484 1.00 0.00 C ATOM 0 H MET A 59 -10.119 6.026 -8.070 1.00 0.00 H new ATOM 0 HA MET A 59 -7.813 4.668 -9.104 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.713 5.389 -6.851 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.349 4.863 -6.506 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.317 2.793 -7.253 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.228 3.512 -5.657 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.400 2.614 -3.585 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.457 4.122 -4.529 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.885 3.063 -4.457 1.00 0.00 H new ATOM 928 N MET A 60 -10.507 2.885 -8.471 1.00 0.00 N ATOM 929 CA MET A 60 -11.132 1.611 -8.748 1.00 0.00 C ATOM 930 C MET A 60 -11.315 1.386 -10.249 1.00 0.00 C ATOM 931 O MET A 60 -11.286 0.250 -10.721 1.00 0.00 O ATOM 932 CB MET A 60 -12.464 1.522 -8.004 1.00 0.00 C ATOM 933 CG MET A 60 -12.397 0.636 -6.765 1.00 0.00 C ATOM 934 SD MET A 60 -13.364 -0.872 -6.943 1.00 0.00 S ATOM 935 CE MET A 60 -12.929 -1.319 -8.618 1.00 0.00 C ATOM 0 H MET A 60 -11.074 3.521 -7.909 1.00 0.00 H new ATOM 0 HA MET A 60 -10.475 0.817 -8.392 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.778 2.524 -7.711 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.226 1.135 -8.680 1.00 0.00 H new ATOM 0 HG2 MET A 60 -11.358 0.376 -6.564 1.00 0.00 H new ATOM 0 HG3 MET A 60 -12.758 1.196 -5.902 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.001 -2.400 -8.737 1.00 0.00 H new ATOM 0 HE2 MET A 60 -13.612 -0.831 -9.314 1.00 0.00 H new ATOM 0 HE3 MET A 60 -11.908 -0.999 -8.827 1.00 0.00 H new ATOM 1083 N GLN A 70 -10.017 -12.043 -11.096 1.00 0.00 N ATOM 1084 CA GLN A 70 -10.465 -11.389 -9.873 1.00 0.00 C ATOM 1085 C GLN A 70 -9.542 -10.236 -9.485 1.00 0.00 C ATOM 1086 O GLN A 70 -8.692 -9.817 -10.271 1.00 0.00 O ATOM 1087 CB GLN A 70 -10.543 -12.409 -8.733 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.831 -13.214 -8.729 1.00 0.00 C ATOM 1089 CD GLN A 70 -12.926 -12.556 -7.913 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -13.101 -11.252 -8.097 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -13.609 -13.212 -7.127 1.00 0.00 N flip ATOM 0 HA GLN A 70 -11.456 -10.975 -10.056 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.697 -13.092 -8.808 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.447 -11.887 -7.781 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.176 -13.346 -9.754 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.633 -14.208 -8.329 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.441 -14.212 -7.017 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.343 -12.756 -6.586 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.720 -9.726 -8.266 1.00 0.00 N ATOM 1101 CA LEU A 71 -8.914 -8.626 -7.763 1.00 0.00 C ATOM 1102 C LEU A 71 -7.437 -9.047 -7.687 1.00 0.00 C ATOM 1103 O LEU A 71 -6.926 -9.653 -8.629 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.478 -8.171 -6.403 1.00 0.00 C ATOM 1105 CG LEU A 71 -10.240 -6.841 -6.408 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -9.280 -5.676 -6.244 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -11.062 -6.681 -7.679 1.00 0.00 C ATOM 0 H LEU A 71 -10.422 -10.064 -7.608 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.960 -7.774 -8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.144 -8.948 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.652 -8.092 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.928 -6.846 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.839 -4.740 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.747 -5.774 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.564 -5.676 -7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.591 -5.728 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.401 -6.705 -8.545 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.784 -7.495 -7.750 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.742 -8.742 -6.589 1.00 0.00 N ATOM 1120 CA ASP A 72 -5.334 -9.116 -6.463 1.00 0.00 C ATOM 1121 C ASP A 72 -4.740 -8.634 -5.142 1.00 0.00 C ATOM 1122 O ASP A 72 -5.458 -8.169 -4.258 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.523 -8.555 -7.634 1.00 0.00 C ATOM 1124 CG ASP A 72 -3.453 -9.517 -8.111 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -3.609 -10.737 -7.892 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -2.457 -9.051 -8.704 1.00 0.00 O ATOM 0 H ASP A 72 -7.125 -8.244 -5.785 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.283 -10.205 -6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.195 -8.325 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.056 -7.617 -7.333 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.422 -8.765 -5.014 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.720 -8.363 -3.801 1.00 0.00 C ATOM 1133 C PHE A 73 -2.404 -6.866 -3.783 1.00 0.00 C ATOM 1134 O PHE A 73 -2.810 -6.154 -2.862 1.00 0.00 O ATOM 1135 CB PHE A 73 -1.431 -9.175 -3.642 1.00 0.00 C ATOM 1136 CG PHE A 73 -0.402 -8.888 -4.697 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -0.473 -9.497 -5.940 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.634 -8.004 -4.445 1.00 0.00 C ATOM 1139 CE1 PHE A 73 0.472 -9.229 -6.913 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.581 -7.731 -5.415 1.00 0.00 C ATOM 1141 CZ PHE A 73 1.500 -8.345 -6.650 1.00 0.00 C ATOM 0 H PHE A 73 -2.817 -9.149 -5.740 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.384 -8.565 -2.961 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.001 -8.969 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.676 -10.237 -3.665 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.275 -10.189 -6.151 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.703 -7.523 -3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.406 -9.710 -7.878 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.383 -7.038 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.239 -8.134 -7.408 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.675 -6.382 -4.790 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.323 -4.969 -4.841 1.00 0.00 C ATOM 1153 C GLN A 74 -2.510 -4.135 -5.275 1.00 0.00 C ATOM 1154 O GLN A 74 -2.640 -2.989 -4.862 1.00 0.00 O ATOM 1155 CB GLN A 74 -0.140 -4.712 -5.776 1.00 0.00 C ATOM 1156 CG GLN A 74 0.199 -3.229 -5.932 1.00 0.00 C ATOM 1157 CD GLN A 74 0.308 -2.499 -4.600 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -0.325 -1.328 -4.500 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 0.954 -2.983 -3.669 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.323 -6.940 -5.568 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.029 -4.676 -3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.735 -5.239 -5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.364 -5.131 -6.757 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.142 -3.132 -6.471 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.567 -2.749 -6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.423 -3.881 -3.786 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.019 -2.486 -2.781 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.385 -4.707 -6.100 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.564 -3.984 -6.560 1.00 0.00 C ATOM 1170 C GLU A 75 -5.211 -3.264 -5.391 1.00 0.00 C ATOM 1171 O GLU A 75 -5.597 -2.112 -5.503 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.569 -4.936 -7.214 1.00 0.00 C ATOM 1173 CG GLU A 75 -5.772 -4.675 -8.697 1.00 0.00 C ATOM 1174 CD GLU A 75 -5.865 -5.953 -9.507 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -6.651 -6.843 -9.121 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -5.150 -6.064 -10.526 1.00 0.00 O ATOM 0 H GLU A 75 -3.300 -5.658 -6.459 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.253 -3.254 -7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.228 -5.962 -7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.528 -4.847 -6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.683 -4.093 -8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.946 -4.071 -9.072 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.295 -3.936 -4.256 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.872 -3.318 -3.078 1.00 0.00 C ATOM 1185 C PHE A 76 -4.943 -2.235 -2.553 1.00 0.00 C ATOM 1186 O PHE A 76 -5.344 -1.081 -2.404 1.00 0.00 O ATOM 1187 CB PHE A 76 -6.136 -4.364 -1.997 1.00 0.00 C ATOM 1188 CG PHE A 76 -7.321 -4.047 -1.130 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -7.299 -2.958 -0.274 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -8.455 -4.840 -1.170 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -8.387 -2.666 0.525 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -9.547 -4.553 -0.374 1.00 0.00 C ATOM 1193 CZ PHE A 76 -9.513 -3.466 0.476 1.00 0.00 C ATOM 0 H PHE A 76 -4.976 -4.896 -4.127 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.824 -2.864 -3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.292 -5.333 -2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.250 -4.456 -1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.421 -2.330 -0.231 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.486 -5.693 -1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.358 -1.813 1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.426 -5.178 -0.417 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.364 -3.241 1.101 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.689 -2.601 -2.301 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.707 -1.637 -1.830 1.00 0.00 C ATOM 1205 C LEU A 77 -2.671 -0.449 -2.786 1.00 0.00 C ATOM 1206 O LEU A 77 -2.481 0.694 -2.380 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.328 -2.290 -1.721 1.00 0.00 C ATOM 1208 CG LEU A 77 -1.003 -2.854 -0.342 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.119 -3.878 -0.424 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.639 -1.726 0.603 1.00 0.00 C ATOM 0 H LEU A 77 -3.334 -3.550 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.989 -1.286 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.262 -3.094 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.569 -1.554 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.886 -3.363 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.332 -4.265 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.184 -4.698 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.014 -3.405 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.408 -2.135 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.231 -1.195 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.478 -1.035 0.686 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.896 -0.747 -4.060 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.939 0.262 -5.106 1.00 0.00 C ATOM 1224 C ASN A 78 -4.243 1.033 -5.006 1.00 0.00 C ATOM 1225 O ASN A 78 -4.280 2.251 -5.178 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.856 -0.399 -6.488 1.00 0.00 C ATOM 1227 CG ASN A 78 -1.608 -0.021 -7.255 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -1.096 1.092 -7.130 1.00 0.00 O ATOM 1229 ND2 ASN A 78 -1.112 -0.956 -8.055 1.00 0.00 N ATOM 0 H ASN A 78 -3.054 -1.697 -4.395 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.092 0.936 -4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.887 -1.482 -6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.733 -0.118 -7.072 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.271 -0.767 -8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.572 -1.864 -8.125 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.320 0.298 -4.738 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.633 0.900 -4.628 1.00 0.00 C ATOM 1238 C LEU A 79 -6.687 1.843 -3.438 1.00 0.00 C ATOM 1239 O LEU A 79 -6.956 3.027 -3.593 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.718 -0.178 -4.512 1.00 0.00 C ATOM 1241 CG LEU A 79 -7.997 -0.972 -5.802 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -9.422 -0.815 -6.269 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -7.054 -0.571 -6.915 1.00 0.00 C ATOM 0 H LEU A 79 -5.303 -0.712 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.822 1.476 -5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.429 -0.879 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.645 0.296 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.830 -2.021 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.572 -1.392 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.100 -1.176 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.626 0.237 -6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.280 -1.151 -7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.176 0.490 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.026 -0.763 -6.608 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.403 1.318 -2.253 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.405 2.131 -1.046 1.00 0.00 C ATOM 1257 C ILE A 80 -5.173 3.026 -0.987 1.00 0.00 C ATOM 1258 O ILE A 80 -5.270 4.201 -0.633 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.485 1.278 0.232 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.809 2.165 1.433 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -5.185 0.540 0.460 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.588 2.805 2.062 1.00 0.00 C ATOM 0 H ILE A 80 -6.169 0.337 -2.103 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.300 2.752 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.280 0.543 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.499 2.949 1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.325 1.569 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.260 -0.058 1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.984 -0.113 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.372 1.259 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.895 3.420 2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.906 2.027 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.083 3.429 1.324 1.00 0.00 H new ATOM 1274 N GLY A 81 -4.013 2.472 -1.341 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.793 3.258 -1.322 1.00 0.00 C ATOM 1276 C GLY A 81 -2.957 4.535 -2.114 1.00 0.00 C ATOM 1277 O GLY A 81 -2.685 5.624 -1.611 1.00 0.00 O ATOM 0 H GLY A 81 -3.899 1.503 -1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.526 3.497 -0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.973 2.672 -1.736 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.437 4.399 -3.347 1.00 0.00 N ATOM 1282 CA GLY A 82 -3.666 5.569 -4.180 1.00 0.00 C ATOM 1283 C GLY A 82 -4.536 6.600 -3.480 1.00 0.00 C ATOM 1284 O GLY A 82 -4.262 7.798 -3.546 1.00 0.00 O ATOM 0 H GLY A 82 -3.670 3.507 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.709 6.020 -4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.142 5.264 -5.112 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.583 6.138 -2.794 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.469 7.046 -2.068 1.00 0.00 C ATOM 1290 C LEU A 83 -5.690 7.789 -1.000 1.00 0.00 C ATOM 1291 O LEU A 83 -5.864 8.992 -0.819 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.625 6.291 -1.425 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.141 5.103 -2.226 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.406 4.556 -1.598 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.380 5.499 -3.677 1.00 0.00 C ATOM 0 H LEU A 83 -5.835 5.152 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.879 7.758 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.308 5.938 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.449 6.986 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.385 4.318 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.764 3.707 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.196 4.233 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.170 5.333 -1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.748 4.637 -4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.118 6.300 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.445 5.843 -4.119 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.820 7.069 -0.300 1.00 0.00 N ATOM 1308 CA ALA A 84 -4.007 7.689 0.742 1.00 0.00 C ATOM 1309 C ALA A 84 -3.247 8.878 0.181 1.00 0.00 C ATOM 1310 O ALA A 84 -3.004 9.868 0.871 1.00 0.00 O ATOM 1311 CB ALA A 84 -3.010 6.695 1.298 1.00 0.00 C ATOM 0 H ALA A 84 -4.660 6.070 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.675 8.020 1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.412 7.174 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.543 5.845 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.356 6.349 0.498 1.00 0.00 H new ATOM 1317 N VAL A 85 -2.876 8.759 -1.082 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.137 9.805 -1.772 1.00 0.00 C ATOM 1319 C VAL A 85 -3.071 10.853 -2.357 1.00 0.00 C ATOM 1320 O VAL A 85 -2.653 11.961 -2.687 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.220 9.244 -2.887 1.00 0.00 C ATOM 1322 CG1 VAL A 85 0.209 9.673 -2.629 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.297 7.723 -2.985 1.00 0.00 C ATOM 0 H VAL A 85 -3.076 7.940 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.504 10.274 -1.019 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.567 9.648 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.855 9.278 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.267 10.761 -2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.536 9.288 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.637 7.376 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.987 7.281 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.321 7.424 -3.207 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.334 10.492 -2.481 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.336 11.387 -3.022 1.00 0.00 C ATOM 1335 C ALA A 86 -6.346 11.794 -1.954 1.00 0.00 C ATOM 1336 O ALA A 86 -7.407 12.337 -2.262 1.00 0.00 O ATOM 1337 CB ALA A 86 -6.029 10.703 -4.175 1.00 0.00 C ATOM 0 H ALA A 86 -4.692 9.576 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.850 12.297 -3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.786 11.368 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.298 10.459 -4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.504 9.787 -3.823 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.009 11.523 -0.698 1.00 0.00 N ATOM 1344 CA CYS A 87 -6.881 11.852 0.418 1.00 0.00 C ATOM 1345 C CYS A 87 -6.075 12.033 1.699 1.00 0.00 C ATOM 1346 O CYS A 87 -6.314 12.967 2.464 1.00 0.00 O ATOM 1347 CB CYS A 87 -7.934 10.758 0.608 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.325 11.249 1.654 1.00 0.00 S ATOM 0 H CYS A 87 -5.133 11.074 -0.429 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.384 12.792 0.193 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.315 10.461 -0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.457 9.881 1.044 1.00 0.00 H new ATOM 0 HG CYS A 87 -8.931 12.147 2.507 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.115 11.137 1.933 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.283 11.222 3.128 1.00 0.00 C ATOM 1356 C HIS A 88 -2.993 11.988 2.841 1.00 0.00 C ATOM 1357 O HIS A 88 -2.883 12.675 1.827 1.00 0.00 O ATOM 1358 CB HIS A 88 -3.963 9.822 3.657 1.00 0.00 C ATOM 1359 CG HIS A 88 -4.373 9.614 5.081 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -5.543 9.185 5.613 1.00 0.00 N flip ATOM 1361 CD2 HIS A 88 -3.537 9.858 6.150 1.00 0.00 C flip ATOM 1362 CE1 HIS A 88 -5.391 9.178 6.977 1.00 0.00 C flip ATOM 1363 NE2 HIS A 88 -4.173 9.587 7.276 1.00 0.00 N flip ATOM 0 H HIS A 88 -4.898 10.354 1.317 1.00 0.00 H new ATOM 0 HA HIS A 88 -4.840 11.766 3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -4.463 9.083 3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -2.892 9.644 3.566 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -6.381 8.917 5.096 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.520 10.215 6.078 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.147 8.885 7.691 1.00 0.00 H new ATOM 1372 N GLU A 89 -2.023 11.866 3.742 1.00 0.00 N ATOM 1373 CA GLU A 89 -0.742 12.548 3.588 1.00 0.00 C ATOM 1374 C GLU A 89 -0.060 12.140 2.281 1.00 0.00 C ATOM 1375 O GLU A 89 -0.701 11.591 1.384 1.00 0.00 O ATOM 1376 CB GLU A 89 0.166 12.238 4.781 1.00 0.00 C ATOM 1377 CG GLU A 89 -0.475 12.536 6.127 1.00 0.00 C ATOM 1378 CD GLU A 89 0.043 11.634 7.231 1.00 0.00 C ATOM 1379 OE1 GLU A 89 1.214 11.801 7.634 1.00 0.00 O ATOM 1380 OE2 GLU A 89 -0.722 10.761 7.693 1.00 0.00 O ATOM 0 H GLU A 89 -2.100 11.301 4.587 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.927 13.622 3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.449 11.186 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.084 12.818 4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.286 13.576 6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.556 12.420 6.045 1.00 0.00 H new ATOM 1387 N SER A 90 1.241 12.415 2.181 1.00 0.00 N ATOM 1388 CA SER A 90 2.020 12.084 0.987 1.00 0.00 C ATOM 1389 C SER A 90 1.833 13.140 -0.099 1.00 0.00 C ATOM 1390 O SER A 90 2.800 13.744 -0.562 1.00 0.00 O ATOM 1391 CB SER A 90 1.638 10.701 0.446 1.00 0.00 C ATOM 1392 OG SER A 90 2.762 10.043 -0.111 1.00 0.00 O ATOM 0 H SER A 90 1.781 12.869 2.918 1.00 0.00 H new ATOM 0 HA SER A 90 3.071 12.065 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.220 10.095 1.250 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.861 10.805 -0.312 1.00 0.00 H new ATOM 0 HG SER A 90 3.396 9.819 0.602 1.00 0.00 H new ATOM 1398 N PHE A 91 0.586 13.359 -0.500 1.00 0.00 N ATOM 1399 CA PHE A 91 0.277 14.345 -1.531 1.00 0.00 C ATOM 1400 C PHE A 91 -0.640 15.433 -0.982 1.00 0.00 C ATOM 1401 O PHE A 91 -0.418 16.621 -1.215 1.00 0.00 O ATOM 1402 CB PHE A 91 -0.377 13.664 -2.735 1.00 0.00 C ATOM 1403 CG PHE A 91 0.450 13.739 -3.987 1.00 0.00 C ATOM 1404 CD1 PHE A 91 0.657 14.952 -4.625 1.00 0.00 C ATOM 1405 CD2 PHE A 91 1.021 12.596 -4.525 1.00 0.00 C ATOM 1406 CE1 PHE A 91 1.419 15.023 -5.776 1.00 0.00 C ATOM 1407 CE2 PHE A 91 1.783 12.662 -5.676 1.00 0.00 C ATOM 1408 CZ PHE A 91 1.982 13.877 -6.303 1.00 0.00 C ATOM 0 H PHE A 91 -0.227 12.868 -0.128 1.00 0.00 H new ATOM 0 HA PHE A 91 1.210 14.810 -1.850 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -0.563 12.617 -2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.347 14.125 -2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.218 15.851 -4.218 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.869 11.644 -4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 91 1.574 15.974 -6.263 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.223 11.764 -6.085 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.576 13.931 -7.203 1.00 0.00 H new ATOM 1418 N VAL A 92 -1.669 15.018 -0.252 1.00 0.00 N ATOM 1419 CA VAL A 92 -2.619 15.957 0.332 1.00 0.00 C ATOM 1420 C VAL A 92 -2.000 16.684 1.523 1.00 0.00 C ATOM 1421 O VAL A 92 -0.946 16.288 2.020 1.00 0.00 O ATOM 1422 CB VAL A 92 -3.910 15.243 0.790 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -5.034 16.245 1.001 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -4.323 14.180 -0.220 1.00 0.00 C ATOM 0 H VAL A 92 -1.867 14.038 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.873 16.680 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.708 14.752 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.933 15.720 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.741 16.965 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.235 16.769 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.234 13.689 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.503 14.648 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.527 13.441 -0.317 1.00 0.00 H new ATOM 1638 N THR B 4 -10.369 3.631 13.276 1.00 0.00 N ATOM 1639 CA THR B 4 -10.681 2.432 12.504 1.00 0.00 C ATOM 1640 C THR B 4 -9.420 1.687 12.096 1.00 0.00 C ATOM 1641 O THR B 4 -8.421 2.286 11.697 1.00 0.00 O ATOM 1642 CB THR B 4 -11.548 2.751 11.276 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.487 1.693 10.335 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.170 4.024 10.550 1.00 0.00 C ATOM 0 HA THR B 4 -11.261 1.779 13.156 1.00 0.00 H new ATOM 0 HB THR B 4 -12.552 2.883 11.680 1.00 0.00 H new ATOM 0 HG1 THR B 4 -12.046 1.912 9.560 1.00 0.00 H new ATOM 0 HG21 THR B 4 -11.835 4.168 9.698 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.262 4.871 11.229 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.141 3.951 10.199 1.00 0.00 H new ATOM 1652 N GLU B 5 -9.484 0.365 12.214 1.00 0.00 N ATOM 1653 CA GLU B 5 -8.367 -0.506 11.876 1.00 0.00 C ATOM 1654 C GLU B 5 -7.729 -0.097 10.555 1.00 0.00 C ATOM 1655 O GLU B 5 -6.505 -0.085 10.424 1.00 0.00 O ATOM 1656 CB GLU B 5 -8.855 -1.951 11.803 1.00 0.00 C ATOM 1657 CG GLU B 5 -7.960 -2.936 12.538 1.00 0.00 C ATOM 1658 CD GLU B 5 -8.078 -2.818 14.044 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -7.680 -1.767 14.591 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -8.570 -3.775 14.678 1.00 0.00 O ATOM 0 H GLU B 5 -10.311 -0.131 12.546 1.00 0.00 H new ATOM 0 HA GLU B 5 -7.608 -0.415 12.653 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -9.861 -2.007 12.219 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -8.926 -2.249 10.757 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -8.217 -3.951 12.235 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -6.924 -2.769 12.244 1.00 0.00 H new ATOM 1667 N THR B 6 -8.562 0.249 9.582 1.00 0.00 N ATOM 1668 CA THR B 6 -8.067 0.670 8.283 1.00 0.00 C ATOM 1669 C THR B 6 -7.421 2.044 8.386 1.00 0.00 C ATOM 1670 O THR B 6 -6.388 2.298 7.775 1.00 0.00 O ATOM 1671 CB THR B 6 -9.200 0.697 7.255 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.125 -0.346 7.498 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.714 0.559 5.828 1.00 0.00 C ATOM 0 H THR B 6 -9.578 0.246 9.669 1.00 0.00 H new ATOM 0 HA THR B 6 -7.318 -0.049 7.952 1.00 0.00 H new ATOM 0 HB THR B 6 -9.671 1.673 7.369 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.182 -0.923 6.708 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.566 0.586 5.149 1.00 0.00 H new ATOM 0 HG22 THR B 6 -8.037 1.380 5.593 1.00 0.00 H new ATOM 0 HG23 THR B 6 -8.188 -0.389 5.713 1.00 0.00 H new ATOM 1681 N GLU B 7 -8.025 2.928 9.178 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.494 4.275 9.355 1.00 0.00 C ATOM 1683 C GLU B 7 -6.022 4.218 9.741 1.00 0.00 C ATOM 1684 O GLU B 7 -5.175 4.831 9.091 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.283 5.021 10.434 1.00 0.00 C ATOM 1686 CG GLU B 7 -9.204 6.091 9.874 1.00 0.00 C ATOM 1687 CD GLU B 7 -8.446 7.261 9.277 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -8.031 7.163 8.103 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -8.267 8.275 9.984 1.00 0.00 O ATOM 0 H GLU B 7 -8.878 2.736 9.704 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.592 4.810 8.410 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -8.875 4.304 11.003 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.584 5.482 11.132 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -9.844 5.650 9.110 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -9.858 6.454 10.667 1.00 0.00 H new ATOM 1696 N ARG B 8 -5.725 3.462 10.785 1.00 0.00 N ATOM 1697 CA ARG B 8 -4.350 3.305 11.238 1.00 0.00 C ATOM 1698 C ARG B 8 -3.529 2.568 10.183 1.00 0.00 C ATOM 1699 O ARG B 8 -2.312 2.734 10.100 1.00 0.00 O ATOM 1700 CB ARG B 8 -4.309 2.544 12.564 1.00 0.00 C ATOM 1701 CG ARG B 8 -4.747 3.378 13.756 1.00 0.00 C ATOM 1702 CD ARG B 8 -4.478 2.660 15.068 1.00 0.00 C ATOM 1703 NE ARG B 8 -5.405 1.551 15.286 1.00 0.00 N ATOM 1704 CZ ARG B 8 -5.640 1.004 16.475 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -5.019 1.458 17.558 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -6.500 0.000 16.585 1.00 0.00 N ATOM 0 H ARG B 8 -6.414 2.948 11.334 1.00 0.00 H new ATOM 0 HA ARG B 8 -3.919 4.295 11.391 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -4.951 1.666 12.490 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -3.295 2.184 12.736 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -4.219 4.332 13.747 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -5.811 3.601 13.674 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -3.455 2.283 15.072 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -4.560 3.368 15.892 1.00 0.00 H new ATOM 0 HE ARG B 8 -5.901 1.174 14.478 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -4.358 2.231 17.480 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -5.204 1.034 18.467 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -6.981 -0.352 15.757 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -6.680 -0.420 17.497 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.207 1.749 9.379 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.549 0.978 8.330 1.00 0.00 C ATOM 1721 C CYS B 9 -2.955 1.892 7.258 1.00 0.00 C ATOM 1722 O CYS B 9 -1.790 1.749 6.890 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.535 -0.042 7.723 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.204 0.370 6.088 1.00 0.00 S ATOM 0 H CYS B 9 -5.215 1.604 9.436 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.719 0.428 8.774 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -4.032 -1.007 7.655 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.369 -0.166 8.414 1.00 0.00 H new ATOM 0 HG CYS B 9 -6.032 1.366 6.196 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.756 2.828 6.756 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.293 3.742 5.725 1.00 0.00 C ATOM 1732 C ILE B 10 -2.128 4.594 6.214 1.00 0.00 C ATOM 1733 O ILE B 10 -1.057 4.596 5.613 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.427 4.680 5.264 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.672 3.877 4.889 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.968 5.528 4.089 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.799 4.006 5.881 1.00 0.00 C ATOM 0 H ILE B 10 -4.723 2.970 7.047 1.00 0.00 H new ATOM 0 HA ILE B 10 -2.962 3.126 4.889 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.683 5.342 6.091 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -6.023 4.204 3.910 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.401 2.825 4.796 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.779 6.185 3.775 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.109 6.129 4.388 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.685 4.879 3.260 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.648 3.409 5.547 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.467 3.652 6.857 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -7.099 5.051 5.957 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.346 5.320 7.302 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.318 6.190 7.867 1.00 0.00 C ATOM 1751 C GLU B 11 -0.014 5.440 8.107 1.00 0.00 C ATOM 1752 O GLU B 11 1.064 6.034 8.112 1.00 0.00 O ATOM 1753 CB GLU B 11 -1.812 6.811 9.174 1.00 0.00 C ATOM 1754 CG GLU B 11 -1.606 8.314 9.240 1.00 0.00 C ATOM 1755 CD GLU B 11 -0.543 8.715 10.245 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -0.368 7.989 11.246 1.00 0.00 O ATOM 1757 OE2 GLU B 11 0.114 9.756 10.031 1.00 0.00 O ATOM 0 H GLU B 11 -3.228 5.325 7.814 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.120 6.980 7.142 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.873 6.591 9.295 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.292 6.343 10.010 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.325 8.682 8.253 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -2.548 8.795 9.503 1.00 0.00 H new ATOM 1764 N SER B 12 -0.121 4.140 8.332 1.00 0.00 N ATOM 1765 CA SER B 12 1.045 3.313 8.604 1.00 0.00 C ATOM 1766 C SER B 12 2.016 3.253 7.420 1.00 0.00 C ATOM 1767 O SER B 12 3.201 3.538 7.577 1.00 0.00 O ATOM 1768 CB SER B 12 0.599 1.900 8.984 1.00 0.00 C ATOM 1769 OG SER B 12 1.271 1.450 10.148 1.00 0.00 O ATOM 0 H SER B 12 -1.006 3.633 8.332 1.00 0.00 H new ATOM 0 HA SER B 12 1.581 3.773 9.434 1.00 0.00 H new ATOM 0 HB2 SER B 12 -0.478 1.888 9.154 1.00 0.00 H new ATOM 0 HB3 SER B 12 0.799 1.217 8.158 1.00 0.00 H new ATOM 0 HG SER B 12 0.665 0.894 10.681 1.00 0.00 H new ATOM 1775 N LEU B 13 1.526 2.851 6.248 1.00 0.00 N ATOM 1776 CA LEU B 13 2.375 2.721 5.063 1.00 0.00 C ATOM 1777 C LEU B 13 2.768 4.065 4.444 1.00 0.00 C ATOM 1778 O LEU B 13 3.820 4.185 3.820 1.00 0.00 O ATOM 1779 CB LEU B 13 1.670 1.858 4.027 1.00 0.00 C ATOM 1780 CG LEU B 13 1.968 0.365 4.139 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.421 0.087 3.806 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.655 -0.150 5.528 1.00 0.00 C ATOM 0 H LEU B 13 0.547 2.610 6.093 1.00 0.00 H new ATOM 0 HA LEU B 13 3.303 2.250 5.388 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.594 2.009 4.118 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.957 2.199 3.032 1.00 0.00 H new ATOM 0 HG LEU B 13 1.331 -0.156 3.424 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.616 -0.982 3.891 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.630 0.414 2.787 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.063 0.629 4.500 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.877 -1.216 5.579 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.263 0.383 6.259 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.600 0.012 5.747 1.00 0.00 H new ATOM 1794 N ILE B 14 1.934 5.075 4.598 1.00 0.00 N ATOM 1795 CA ILE B 14 2.234 6.377 4.040 1.00 0.00 C ATOM 1796 C ILE B 14 3.423 7.007 4.720 1.00 0.00 C ATOM 1797 O ILE B 14 4.203 7.722 4.103 1.00 0.00 O ATOM 1798 CB ILE B 14 1.085 7.357 4.243 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.254 6.735 3.913 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.316 8.594 3.418 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.364 7.367 4.703 1.00 0.00 C ATOM 0 H ILE B 14 1.049 5.019 5.102 1.00 0.00 H new ATOM 0 HA ILE B 14 2.423 6.200 2.981 1.00 0.00 H new ATOM 0 HB ILE B 14 1.059 7.629 5.298 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.455 6.846 2.848 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.221 5.666 4.121 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.491 9.290 3.568 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.250 9.066 3.724 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.375 8.323 2.364 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.311 6.896 4.441 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.175 7.233 5.768 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.413 8.432 4.474 1.00 0.00 H new ATOM 1813 N ALA B 15 3.504 6.780 6.012 1.00 0.00 N ATOM 1814 CA ALA B 15 4.531 7.373 6.831 1.00 0.00 C ATOM 1815 C ALA B 15 5.869 6.667 6.697 1.00 0.00 C ATOM 1816 O ALA B 15 6.916 7.313 6.740 1.00 0.00 O ATOM 1817 CB ALA B 15 4.029 7.418 8.252 1.00 0.00 C ATOM 0 H ALA B 15 2.858 6.178 6.523 1.00 0.00 H new ATOM 0 HA ALA B 15 4.728 8.389 6.488 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.790 7.864 8.893 1.00 0.00 H new ATOM 0 HB2 ALA B 15 3.120 8.017 8.298 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.814 6.406 8.594 1.00 0.00 H new ATOM 1823 N VAL B 16 5.846 5.357 6.480 1.00 0.00 N ATOM 1824 CA VAL B 16 7.079 4.620 6.277 1.00 0.00 C ATOM 1825 C VAL B 16 7.868 5.320 5.183 1.00 0.00 C ATOM 1826 O VAL B 16 9.092 5.436 5.238 1.00 0.00 O ATOM 1827 CB VAL B 16 6.786 3.175 5.850 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.929 2.478 6.882 1.00 0.00 C ATOM 1829 CG2 VAL B 16 6.088 3.159 4.507 1.00 0.00 C ATOM 0 H VAL B 16 4.997 4.793 6.441 1.00 0.00 H new ATOM 0 HA VAL B 16 7.645 4.590 7.208 1.00 0.00 H new ATOM 0 HB VAL B 16 7.734 2.643 5.767 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.732 1.455 6.561 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.451 2.464 7.839 1.00 0.00 H new ATOM 0 HG13 VAL B 16 4.985 3.012 6.991 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.885 2.129 4.215 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.149 3.707 4.579 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.727 3.629 3.759 1.00 0.00 H new ATOM 1839 N PHE B 17 7.117 5.808 4.197 1.00 0.00 N ATOM 1840 CA PHE B 17 7.687 6.537 3.073 1.00 0.00 C ATOM 1841 C PHE B 17 8.044 7.966 3.494 1.00 0.00 C ATOM 1842 O PHE B 17 9.196 8.379 3.385 1.00 0.00 O ATOM 1843 CB PHE B 17 6.690 6.543 1.904 1.00 0.00 C ATOM 1844 CG PHE B 17 6.804 7.729 0.983 1.00 0.00 C ATOM 1845 CD1 PHE B 17 7.916 7.894 0.172 1.00 0.00 C ATOM 1846 CD2 PHE B 17 5.792 8.674 0.925 1.00 0.00 C ATOM 1847 CE1 PHE B 17 8.016 8.979 -0.678 1.00 0.00 C ATOM 1848 CE2 PHE B 17 5.887 9.762 0.078 1.00 0.00 C ATOM 1849 CZ PHE B 17 7.001 9.915 -0.724 1.00 0.00 C ATOM 0 H PHE B 17 6.103 5.708 4.157 1.00 0.00 H new ATOM 0 HA PHE B 17 8.603 6.043 2.749 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.830 5.633 1.321 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.678 6.510 2.308 1.00 0.00 H new ATOM 0 HD1 PHE B 17 8.713 7.166 0.205 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.918 8.559 1.549 1.00 0.00 H new ATOM 0 HE1 PHE B 17 8.887 9.095 -1.306 1.00 0.00 H new ATOM 0 HE2 PHE B 17 5.091 10.491 0.043 1.00 0.00 H new ATOM 0 HZ PHE B 17 7.078 10.765 -1.386 1.00 0.00 H new ATOM 1859 N GLN B 18 7.045 8.711 3.974 1.00 0.00 N ATOM 1860 CA GLN B 18 7.248 10.098 4.405 1.00 0.00 C ATOM 1861 C GLN B 18 8.445 10.238 5.337 1.00 0.00 C ATOM 1862 O GLN B 18 9.265 11.142 5.175 1.00 0.00 O ATOM 1863 CB GLN B 18 6.012 10.625 5.141 1.00 0.00 C ATOM 1864 CG GLN B 18 4.701 10.352 4.433 1.00 0.00 C ATOM 1865 CD GLN B 18 4.373 11.403 3.400 1.00 0.00 C ATOM 1866 OE1 GLN B 18 3.420 12.168 3.549 1.00 0.00 O ATOM 1867 NE2 GLN B 18 5.171 11.443 2.342 1.00 0.00 N ATOM 0 H GLN B 18 6.086 8.377 4.074 1.00 0.00 H new ATOM 0 HA GLN B 18 7.429 10.677 3.499 1.00 0.00 H new ATOM 0 HB2 GLN B 18 5.976 10.176 6.134 1.00 0.00 H new ATOM 0 HB3 GLN B 18 6.118 11.701 5.281 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.748 9.376 3.951 1.00 0.00 H new ATOM 0 HG3 GLN B 18 3.897 10.306 5.168 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.948 10.787 2.264 1.00 0.00 H new ATOM 0 HE22 GLN B 18 5.008 12.130 1.606 1.00 0.00 H new ATOM 1876 N LYS B 19 8.525 9.361 6.328 1.00 0.00 N ATOM 1877 CA LYS B 19 9.606 9.413 7.304 1.00 0.00 C ATOM 1878 C LYS B 19 10.967 9.565 6.630 1.00 0.00 C ATOM 1879 O LYS B 19 11.733 10.470 6.959 1.00 0.00 O ATOM 1880 CB LYS B 19 9.590 8.144 8.156 1.00 0.00 C ATOM 1881 CG LYS B 19 10.533 8.190 9.345 1.00 0.00 C ATOM 1882 CD LYS B 19 9.972 9.046 10.468 1.00 0.00 C ATOM 1883 CE LYS B 19 8.716 8.432 11.062 1.00 0.00 C ATOM 1884 NZ LYS B 19 8.942 7.032 11.516 1.00 0.00 N ATOM 0 H LYS B 19 7.856 8.606 6.478 1.00 0.00 H new ATOM 0 HA LYS B 19 9.447 10.287 7.936 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.575 7.972 8.516 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.854 7.293 7.528 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.709 7.178 9.710 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.498 8.588 9.030 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.724 9.164 11.248 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.747 10.043 10.089 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.380 9.037 11.904 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.918 8.448 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 8.186 6.754 12.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.936 6.395 10.694 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 9.862 6.967 11.997 1.00 0.00 H new ATOM 1898 N TYR B 20 11.252 8.695 5.670 1.00 0.00 N ATOM 1899 CA TYR B 20 12.508 8.762 4.936 1.00 0.00 C ATOM 1900 C TYR B 20 12.427 9.811 3.840 1.00 0.00 C ATOM 1901 O TYR B 20 13.427 10.411 3.447 1.00 0.00 O ATOM 1902 CB TYR B 20 12.873 7.394 4.362 1.00 0.00 C ATOM 1903 CG TYR B 20 13.974 6.707 5.139 1.00 0.00 C ATOM 1904 CD1 TYR B 20 13.684 5.960 6.272 1.00 0.00 C ATOM 1905 CD2 TYR B 20 15.301 6.815 4.745 1.00 0.00 C ATOM 1906 CE1 TYR B 20 14.687 5.338 6.992 1.00 0.00 C ATOM 1907 CE2 TYR B 20 16.309 6.197 5.459 1.00 0.00 C ATOM 1908 CZ TYR B 20 15.998 5.459 6.582 1.00 0.00 C ATOM 1909 OH TYR B 20 16.999 4.843 7.297 1.00 0.00 O ATOM 0 H TYR B 20 10.633 7.937 5.382 1.00 0.00 H new ATOM 0 HA TYR B 20 13.298 9.055 5.628 1.00 0.00 H new ATOM 0 HB2 TYR B 20 11.987 6.759 4.357 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.186 7.512 3.325 1.00 0.00 H new ATOM 0 HD1 TYR B 20 12.658 5.863 6.596 1.00 0.00 H new ATOM 0 HD2 TYR B 20 15.549 7.392 3.866 1.00 0.00 H new ATOM 0 HE1 TYR B 20 14.445 4.760 7.872 1.00 0.00 H new ATOM 0 HE2 TYR B 20 17.336 6.291 5.139 1.00 0.00 H new ATOM 0 HH TYR B 20 16.647 4.032 7.720 1.00 0.00 H new ATOM 1919 N ALA B 21 11.213 9.995 3.340 1.00 0.00 N ATOM 1920 CA ALA B 21 10.937 10.934 2.268 1.00 0.00 C ATOM 1921 C ALA B 21 10.732 12.359 2.782 1.00 0.00 C ATOM 1922 O ALA B 21 10.262 13.226 2.045 1.00 0.00 O ATOM 1923 CB ALA B 21 9.709 10.451 1.519 1.00 0.00 C ATOM 0 H ALA B 21 10.389 9.493 3.670 1.00 0.00 H new ATOM 0 HA ALA B 21 11.800 10.972 1.603 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.482 11.143 0.707 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.900 9.460 1.108 1.00 0.00 H new ATOM 0 HB3 ALA B 21 8.861 10.403 2.202 1.00 0.00 H new ATOM 1929 N GLY B 22 11.086 12.601 4.041 1.00 0.00 N ATOM 1930 CA GLY B 22 10.928 13.928 4.607 1.00 0.00 C ATOM 1931 C GLY B 22 10.425 13.899 6.036 1.00 0.00 C ATOM 1932 O GLY B 22 9.359 13.353 6.317 1.00 0.00 O ATOM 0 H GLY B 22 11.477 11.905 4.676 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.885 14.449 4.574 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.232 14.500 3.993 1.00 0.00 H new ATOM 2006 N VAL B 28 7.472 15.205 -2.319 1.00 0.00 N ATOM 2007 CA VAL B 28 6.578 14.054 -2.373 1.00 0.00 C ATOM 2008 C VAL B 28 7.308 12.809 -2.867 1.00 0.00 C ATOM 2009 O VAL B 28 6.686 11.871 -3.366 1.00 0.00 O ATOM 2010 CB VAL B 28 5.370 14.325 -3.289 1.00 0.00 C ATOM 2011 CG1 VAL B 28 4.400 15.289 -2.623 1.00 0.00 C ATOM 2012 CG2 VAL B 28 5.829 14.862 -4.635 1.00 0.00 C ATOM 0 HA VAL B 28 6.224 13.882 -1.357 1.00 0.00 H new ATOM 0 HB VAL B 28 4.849 13.383 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL B 28 3.553 15.468 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL B 28 4.044 14.858 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL B 28 4.907 16.232 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL B 28 4.961 15.047 -5.268 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.376 15.793 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL B 28 6.479 14.131 -5.116 1.00 0.00 H new ATOM 2022 N THR B 29 8.630 12.803 -2.721 1.00 0.00 N ATOM 2023 CA THR B 29 9.441 11.670 -3.149 1.00 0.00 C ATOM 2024 C THR B 29 10.385 11.228 -2.033 1.00 0.00 C ATOM 2025 O THR B 29 10.290 11.705 -0.902 1.00 0.00 O ATOM 2026 CB THR B 29 10.234 12.029 -4.406 1.00 0.00 C ATOM 2027 OG1 THR B 29 10.635 13.387 -4.376 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.454 11.805 -5.684 1.00 0.00 C ATOM 0 H THR B 29 9.161 13.570 -2.310 1.00 0.00 H new ATOM 0 HA THR B 29 8.774 10.840 -3.381 1.00 0.00 H new ATOM 0 HB THR B 29 11.099 11.365 -4.405 1.00 0.00 H new ATOM 0 HG1 THR B 29 11.000 13.640 -5.250 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.071 12.078 -6.540 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.173 10.754 -5.760 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.555 12.421 -5.674 1.00 0.00 H new ATOM 2036 N LEU B 30 11.289 10.310 -2.356 1.00 0.00 N ATOM 2037 CA LEU B 30 12.242 9.798 -1.377 1.00 0.00 C ATOM 2038 C LEU B 30 13.615 9.551 -2.026 1.00 0.00 C ATOM 2039 O LEU B 30 14.211 10.474 -2.579 1.00 0.00 O ATOM 2040 CB LEU B 30 11.683 8.517 -0.740 1.00 0.00 C ATOM 2041 CG LEU B 30 12.168 8.214 0.680 1.00 0.00 C ATOM 2042 CD1 LEU B 30 11.897 6.762 1.030 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.647 8.537 0.838 1.00 0.00 C ATOM 0 H LEU B 30 11.382 9.905 -3.287 1.00 0.00 H new ATOM 0 HA LEU B 30 12.386 10.542 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.595 8.586 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.941 7.673 -1.380 1.00 0.00 H new ATOM 0 HG LEU B 30 11.614 8.850 1.370 1.00 0.00 H new ATOM 0 HD11 LEU B 30 12.247 6.560 2.042 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.826 6.567 0.971 1.00 0.00 H new ATOM 0 HD13 LEU B 30 12.423 6.114 0.329 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.962 8.311 1.857 1.00 0.00 H new ATOM 0 HD22 LEU B 30 14.227 7.937 0.137 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.812 9.595 0.633 1.00 0.00 H new ATOM 2055 N SER B 31 14.114 8.312 -1.964 1.00 0.00 N ATOM 2056 CA SER B 31 15.403 7.972 -2.551 1.00 0.00 C ATOM 2057 C SER B 31 15.624 6.462 -2.493 1.00 0.00 C ATOM 2058 O SER B 31 15.436 5.838 -1.449 1.00 0.00 O ATOM 2059 CB SER B 31 16.533 8.710 -1.823 1.00 0.00 C ATOM 2060 OG SER B 31 17.657 7.870 -1.618 1.00 0.00 O ATOM 0 H SER B 31 13.640 7.531 -1.511 1.00 0.00 H new ATOM 0 HA SER B 31 15.407 8.285 -3.595 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.831 9.583 -2.403 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.170 9.075 -0.862 1.00 0.00 H new ATOM 0 HG SER B 31 18.292 8.314 -1.018 1.00 0.00 H new ATOM 2066 N LYS B 32 16.014 5.878 -3.623 1.00 0.00 N ATOM 2067 CA LYS B 32 16.249 4.438 -3.702 1.00 0.00 C ATOM 2068 C LYS B 32 17.156 3.965 -2.567 1.00 0.00 C ATOM 2069 O LYS B 32 16.926 2.911 -1.973 1.00 0.00 O ATOM 2070 CB LYS B 32 16.877 4.078 -5.050 1.00 0.00 C ATOM 2071 CG LYS B 32 16.043 4.509 -6.245 1.00 0.00 C ATOM 2072 CD LYS B 32 16.713 4.126 -7.556 1.00 0.00 C ATOM 2073 CE LYS B 32 18.075 4.785 -7.698 1.00 0.00 C ATOM 2074 NZ LYS B 32 18.329 5.242 -9.092 1.00 0.00 N ATOM 0 H LYS B 32 16.174 6.379 -4.497 1.00 0.00 H new ATOM 0 HA LYS B 32 15.287 3.935 -3.606 1.00 0.00 H new ATOM 0 HB2 LYS B 32 17.861 4.542 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS B 32 17.029 3.000 -5.094 1.00 0.00 H new ATOM 0 HG2 LYS B 32 15.058 4.046 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS B 32 15.890 5.588 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS B 32 16.825 3.043 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS B 32 16.077 4.420 -8.391 1.00 0.00 H new ATOM 0 HE2 LYS B 32 18.139 5.636 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS B 32 18.852 4.081 -7.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 19.268 5.686 -9.146 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 18.294 4.427 -9.737 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 17.603 5.933 -9.368 1.00 0.00 H new ATOM 2088 N THR B 33 18.189 4.751 -2.276 1.00 0.00 N ATOM 2089 CA THR B 33 19.135 4.423 -1.220 1.00 0.00 C ATOM 2090 C THR B 33 18.519 4.655 0.157 1.00 0.00 C ATOM 2091 O THR B 33 18.692 3.848 1.065 1.00 0.00 O ATOM 2092 CB THR B 33 20.415 5.251 -1.394 1.00 0.00 C ATOM 2093 OG1 THR B 33 21.360 4.548 -2.181 1.00 0.00 O ATOM 2094 CG2 THR B 33 21.094 5.618 -0.089 1.00 0.00 C ATOM 0 H THR B 33 18.391 5.625 -2.762 1.00 0.00 H new ATOM 0 HA THR B 33 19.388 3.365 -1.293 1.00 0.00 H new ATOM 0 HB THR B 33 20.090 6.171 -1.879 1.00 0.00 H new ATOM 0 HG1 THR B 33 22.169 5.091 -2.283 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.990 6.202 -0.297 1.00 0.00 H new ATOM 0 HG22 THR B 33 20.411 6.207 0.523 1.00 0.00 H new ATOM 0 HG23 THR B 33 21.369 4.709 0.446 1.00 0.00 H new ATOM 2102 N GLU B 34 17.793 5.755 0.314 1.00 0.00 N ATOM 2103 CA GLU B 34 17.160 6.056 1.593 1.00 0.00 C ATOM 2104 C GLU B 34 16.264 4.897 2.021 1.00 0.00 C ATOM 2105 O GLU B 34 16.070 4.650 3.211 1.00 0.00 O ATOM 2106 CB GLU B 34 16.353 7.349 1.502 1.00 0.00 C ATOM 2107 CG GLU B 34 17.010 8.516 2.221 1.00 0.00 C ATOM 2108 CD GLU B 34 17.505 9.586 1.268 1.00 0.00 C ATOM 2109 OE1 GLU B 34 16.694 10.449 0.870 1.00 0.00 O ATOM 2110 OE2 GLU B 34 18.705 9.562 0.922 1.00 0.00 O ATOM 0 H GLU B 34 17.629 6.446 -0.418 1.00 0.00 H new ATOM 0 HA GLU B 34 17.939 6.192 2.343 1.00 0.00 H new ATOM 0 HB2 GLU B 34 16.213 7.609 0.453 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.362 7.182 1.924 1.00 0.00 H new ATOM 0 HG2 GLU B 34 16.296 8.957 2.917 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.847 8.147 2.814 1.00 0.00 H new ATOM 2117 N PHE B 35 15.743 4.180 1.033 1.00 0.00 N ATOM 2118 CA PHE B 35 14.886 3.029 1.280 1.00 0.00 C ATOM 2119 C PHE B 35 15.704 1.885 1.872 1.00 0.00 C ATOM 2120 O PHE B 35 15.204 1.086 2.662 1.00 0.00 O ATOM 2121 CB PHE B 35 14.241 2.578 -0.031 1.00 0.00 C ATOM 2122 CG PHE B 35 12.830 2.085 0.111 1.00 0.00 C ATOM 2123 CD1 PHE B 35 12.436 1.353 1.221 1.00 0.00 C ATOM 2124 CD2 PHE B 35 11.900 2.349 -0.877 1.00 0.00 C ATOM 2125 CE1 PHE B 35 11.137 0.896 1.339 1.00 0.00 C ATOM 2126 CE2 PHE B 35 10.602 1.897 -0.764 1.00 0.00 C ATOM 2127 CZ PHE B 35 10.219 1.169 0.345 1.00 0.00 C ATOM 0 H PHE B 35 15.901 4.379 0.045 1.00 0.00 H new ATOM 0 HA PHE B 35 14.107 3.311 1.988 1.00 0.00 H new ATOM 0 HB2 PHE B 35 14.253 3.411 -0.734 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.848 1.785 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE B 35 13.151 1.138 2.001 1.00 0.00 H new ATOM 0 HD2 PHE B 35 12.193 2.916 -1.748 1.00 0.00 H new ATOM 0 HE1 PHE B 35 10.841 0.326 2.207 1.00 0.00 H new ATOM 0 HE2 PHE B 35 9.885 2.112 -1.543 1.00 0.00 H new ATOM 0 HZ PHE B 35 9.203 0.814 0.435 1.00 0.00 H new ATOM 2137 N LEU B 36 16.968 1.817 1.468 1.00 0.00 N ATOM 2138 CA LEU B 36 17.877 0.776 1.935 1.00 0.00 C ATOM 2139 C LEU B 36 17.919 0.703 3.444 1.00 0.00 C ATOM 2140 O LEU B 36 17.648 -0.336 4.047 1.00 0.00 O ATOM 2141 CB LEU B 36 19.293 1.073 1.447 1.00 0.00 C ATOM 2142 CG LEU B 36 19.697 0.352 0.182 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.736 -1.144 0.440 1.00 0.00 C ATOM 2144 CD2 LEU B 36 18.738 0.696 -0.943 1.00 0.00 C ATOM 0 H LEU B 36 17.389 2.476 0.813 1.00 0.00 H new ATOM 0 HA LEU B 36 17.511 -0.172 1.540 1.00 0.00 H new ATOM 0 HB2 LEU B 36 19.386 2.146 1.281 1.00 0.00 H new ATOM 0 HB3 LEU B 36 19.996 0.810 2.237 1.00 0.00 H new ATOM 0 HG LEU B 36 20.694 0.673 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU B 36 20.027 -1.663 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU B 36 20.460 -1.359 1.226 1.00 0.00 H new ATOM 0 HD13 LEU B 36 18.749 -1.485 0.752 1.00 0.00 H new ATOM 0 HD21 LEU B 36 19.038 0.171 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.728 0.393 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.758 1.771 -1.122 1.00 0.00 H new ATOM 2156 N SER B 37 18.298 1.815 4.038 1.00 0.00 N ATOM 2157 CA SER B 37 18.428 1.899 5.478 1.00 0.00 C ATOM 2158 C SER B 37 17.109 1.600 6.188 1.00 0.00 C ATOM 2159 O SER B 37 17.087 0.910 7.207 1.00 0.00 O ATOM 2160 CB SER B 37 18.942 3.280 5.888 1.00 0.00 C ATOM 2161 OG SER B 37 18.348 4.298 5.102 1.00 0.00 O ATOM 0 H SER B 37 18.523 2.678 3.543 1.00 0.00 H new ATOM 0 HA SER B 37 19.149 1.141 5.783 1.00 0.00 H new ATOM 0 HB2 SER B 37 18.723 3.455 6.941 1.00 0.00 H new ATOM 0 HB3 SER B 37 20.026 3.316 5.777 1.00 0.00 H new ATOM 0 HG SER B 37 17.687 4.783 5.639 1.00 0.00 H new ATOM 2167 N PHE B 38 16.012 2.127 5.651 1.00 0.00 N ATOM 2168 CA PHE B 38 14.695 1.917 6.247 1.00 0.00 C ATOM 2169 C PHE B 38 14.363 0.433 6.348 1.00 0.00 C ATOM 2170 O PHE B 38 13.901 -0.041 7.385 1.00 0.00 O ATOM 2171 CB PHE B 38 13.615 2.627 5.433 1.00 0.00 C ATOM 2172 CG PHE B 38 12.247 2.528 6.049 1.00 0.00 C ATOM 2173 CD1 PHE B 38 11.879 3.364 7.091 1.00 0.00 C ATOM 2174 CD2 PHE B 38 11.331 1.597 5.587 1.00 0.00 C ATOM 2175 CE1 PHE B 38 10.624 3.274 7.661 1.00 0.00 C ATOM 2176 CE2 PHE B 38 10.073 1.503 6.153 1.00 0.00 C ATOM 2177 CZ PHE B 38 9.719 2.342 7.191 1.00 0.00 C ATOM 0 H PHE B 38 16.008 2.701 4.808 1.00 0.00 H new ATOM 0 HA PHE B 38 14.722 2.337 7.253 1.00 0.00 H new ATOM 0 HB2 PHE B 38 13.883 3.678 5.325 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.586 2.201 4.430 1.00 0.00 H new ATOM 0 HD1 PHE B 38 12.582 4.095 7.462 1.00 0.00 H new ATOM 0 HD2 PHE B 38 11.602 0.938 4.776 1.00 0.00 H new ATOM 0 HE1 PHE B 38 10.351 3.931 8.473 1.00 0.00 H new ATOM 0 HE2 PHE B 38 9.367 0.774 5.783 1.00 0.00 H new ATOM 0 HZ PHE B 38 8.737 2.270 7.634 1.00 0.00 H new ATOM 2187 N MET B 39 14.590 -0.293 5.262 1.00 0.00 N ATOM 2188 CA MET B 39 14.305 -1.721 5.227 1.00 0.00 C ATOM 2189 C MET B 39 15.109 -2.471 6.286 1.00 0.00 C ATOM 2190 O MET B 39 14.564 -3.271 7.044 1.00 0.00 O ATOM 2191 CB MET B 39 14.614 -2.288 3.839 1.00 0.00 C ATOM 2192 CG MET B 39 14.338 -3.780 3.716 1.00 0.00 C ATOM 2193 SD MET B 39 13.021 -4.155 2.542 1.00 0.00 S ATOM 2194 CE MET B 39 11.638 -3.318 3.313 1.00 0.00 C ATOM 0 H MET B 39 14.971 0.083 4.394 1.00 0.00 H new ATOM 0 HA MET B 39 13.245 -1.857 5.444 1.00 0.00 H new ATOM 0 HB2 MET B 39 14.020 -1.755 3.097 1.00 0.00 H new ATOM 0 HB3 MET B 39 15.662 -2.100 3.604 1.00 0.00 H new ATOM 0 HG2 MET B 39 15.251 -4.289 3.406 1.00 0.00 H new ATOM 0 HG3 MET B 39 14.069 -4.177 4.695 1.00 0.00 H new ATOM 0 HE1 MET B 39 10.903 -4.054 3.638 1.00 0.00 H new ATOM 0 HE2 MET B 39 11.990 -2.752 4.175 1.00 0.00 H new ATOM 0 HE3 MET B 39 11.178 -2.638 2.596 1.00 0.00 H new ATOM 2204 N ASN B 40 16.411 -2.216 6.316 1.00 0.00 N ATOM 2205 CA ASN B 40 17.306 -2.874 7.263 1.00 0.00 C ATOM 2206 C ASN B 40 17.135 -2.349 8.690 1.00 0.00 C ATOM 2207 O ASN B 40 17.551 -3.003 9.646 1.00 0.00 O ATOM 2208 CB ASN B 40 18.759 -2.695 6.817 1.00 0.00 C ATOM 2209 CG ASN B 40 19.029 -3.321 5.462 1.00 0.00 C ATOM 2210 OD1 ASN B 40 18.974 -4.541 5.308 1.00 0.00 O ATOM 2211 ND2 ASN B 40 19.326 -2.487 4.472 1.00 0.00 N ATOM 0 H ASN B 40 16.874 -1.555 5.692 1.00 0.00 H new ATOM 0 HA ASN B 40 17.045 -3.932 7.272 1.00 0.00 H new ATOM 0 HB2 ASN B 40 18.995 -1.632 6.777 1.00 0.00 H new ATOM 0 HB3 ASN B 40 19.422 -3.141 7.559 1.00 0.00 H new ATOM 0 HD21 ASN B 40 19.520 -2.851 3.539 1.00 0.00 H new ATOM 0 HD22 ASN B 40 19.360 -1.482 4.645 1.00 0.00 H new ATOM 2218 N THR B 41 16.554 -1.161 8.836 1.00 0.00 N ATOM 2219 CA THR B 41 16.378 -0.566 10.162 1.00 0.00 C ATOM 2220 C THR B 41 14.972 -0.769 10.723 1.00 0.00 C ATOM 2221 O THR B 41 14.792 -0.832 11.938 1.00 0.00 O ATOM 2222 CB THR B 41 16.695 0.932 10.119 1.00 0.00 C ATOM 2223 OG1 THR B 41 16.849 1.449 11.428 1.00 0.00 O ATOM 2224 CG2 THR B 41 15.639 1.761 9.423 1.00 0.00 C ATOM 0 H THR B 41 16.200 -0.596 8.064 1.00 0.00 H new ATOM 0 HA THR B 41 17.073 -1.080 10.826 1.00 0.00 H new ATOM 0 HB THR B 41 17.620 1.007 9.547 1.00 0.00 H new ATOM 0 HG1 THR B 41 17.052 2.406 11.380 1.00 0.00 H new ATOM 0 HG21 THR B 41 15.935 2.810 9.433 1.00 0.00 H new ATOM 0 HG22 THR B 41 15.533 1.424 8.392 1.00 0.00 H new ATOM 0 HG23 THR B 41 14.687 1.647 9.942 1.00 0.00 H new ATOM 2232 N GLU B 42 13.975 -0.830 9.850 1.00 0.00 N ATOM 2233 CA GLU B 42 12.595 -0.979 10.303 1.00 0.00 C ATOM 2234 C GLU B 42 11.850 -2.070 9.539 1.00 0.00 C ATOM 2235 O GLU B 42 10.622 -2.060 9.472 1.00 0.00 O ATOM 2236 CB GLU B 42 11.862 0.356 10.163 1.00 0.00 C ATOM 2237 CG GLU B 42 12.783 1.570 10.231 1.00 0.00 C ATOM 2238 CD GLU B 42 12.126 2.765 10.894 1.00 0.00 C ATOM 2239 OE1 GLU B 42 10.998 3.120 10.493 1.00 0.00 O ATOM 2240 OE2 GLU B 42 12.740 3.345 11.814 1.00 0.00 O ATOM 0 H GLU B 42 14.091 -0.780 8.838 1.00 0.00 H new ATOM 0 HA GLU B 42 12.621 -1.281 11.350 1.00 0.00 H new ATOM 0 HB2 GLU B 42 11.327 0.369 9.213 1.00 0.00 H new ATOM 0 HB3 GLU B 42 11.113 0.434 10.951 1.00 0.00 H new ATOM 0 HG2 GLU B 42 13.686 1.306 10.781 1.00 0.00 H new ATOM 0 HG3 GLU B 42 13.092 1.844 9.222 1.00 0.00 H new ATOM 2247 N LEU B 43 12.593 -3.016 8.980 1.00 0.00 N ATOM 2248 CA LEU B 43 11.996 -4.118 8.235 1.00 0.00 C ATOM 2249 C LEU B 43 13.001 -5.250 8.065 1.00 0.00 C ATOM 2250 O LEU B 43 13.247 -5.718 6.953 1.00 0.00 O ATOM 2251 CB LEU B 43 11.497 -3.638 6.869 1.00 0.00 C ATOM 2252 CG LEU B 43 10.084 -3.044 6.861 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.619 -2.787 5.437 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.109 -3.966 7.582 1.00 0.00 C ATOM 0 H LEU B 43 13.612 -3.043 9.028 1.00 0.00 H new ATOM 0 HA LEU B 43 11.143 -4.492 8.800 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.191 -2.888 6.490 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.525 -4.478 6.175 1.00 0.00 H new ATOM 0 HG LEU B 43 10.112 -2.092 7.391 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.614 -2.365 5.453 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.299 -2.086 4.953 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.610 -3.725 4.882 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.112 -3.526 7.565 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.087 -4.934 7.082 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.430 -4.098 8.615 1.00 0.00 H new ATOM 2266 N ALA B 44 13.575 -5.689 9.180 1.00 0.00 N ATOM 2267 CA ALA B 44 14.549 -6.771 9.164 1.00 0.00 C ATOM 2268 C ALA B 44 13.855 -8.109 8.959 1.00 0.00 C ATOM 2269 O ALA B 44 14.436 -9.046 8.419 1.00 0.00 O ATOM 2270 CB ALA B 44 15.357 -6.778 10.452 1.00 0.00 C ATOM 0 H ALA B 44 13.381 -5.310 10.107 1.00 0.00 H new ATOM 0 HA ALA B 44 15.233 -6.609 8.331 1.00 0.00 H new ATOM 0 HB1 ALA B 44 16.080 -7.593 10.423 1.00 0.00 H new ATOM 0 HB2 ALA B 44 15.883 -5.829 10.556 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.687 -6.917 11.301 1.00 0.00 H new ATOM 2276 N ALA B 45 12.599 -8.184 9.382 1.00 0.00 N ATOM 2277 CA ALA B 45 11.817 -9.401 9.231 1.00 0.00 C ATOM 2278 C ALA B 45 11.677 -9.770 7.756 1.00 0.00 C ATOM 2279 O ALA B 45 11.384 -10.916 7.416 1.00 0.00 O ATOM 2280 CB ALA B 45 10.450 -9.220 9.870 1.00 0.00 C ATOM 0 H ALA B 45 12.102 -7.416 9.832 1.00 0.00 H new ATOM 0 HA ALA B 45 12.335 -10.217 9.736 1.00 0.00 H new ATOM 0 HB1 ALA B 45 9.870 -10.135 9.753 1.00 0.00 H new ATOM 0 HB2 ALA B 45 10.570 -9.000 10.931 1.00 0.00 H new ATOM 0 HB3 ALA B 45 9.928 -8.395 9.385 1.00 0.00 H new ATOM 2286 N PHE B 46 11.890 -8.785 6.886 1.00 0.00 N ATOM 2287 CA PHE B 46 11.790 -8.991 5.447 1.00 0.00 C ATOM 2288 C PHE B 46 13.167 -9.222 4.829 1.00 0.00 C ATOM 2289 O PHE B 46 13.298 -9.919 3.823 1.00 0.00 O ATOM 2290 CB PHE B 46 11.126 -7.777 4.792 1.00 0.00 C ATOM 2291 CG PHE B 46 9.644 -7.704 5.022 1.00 0.00 C ATOM 2292 CD1 PHE B 46 9.138 -7.347 6.262 1.00 0.00 C ATOM 2293 CD2 PHE B 46 8.756 -7.989 3.998 1.00 0.00 C ATOM 2294 CE1 PHE B 46 7.775 -7.277 6.476 1.00 0.00 C ATOM 2295 CE2 PHE B 46 7.392 -7.920 4.205 1.00 0.00 C ATOM 2296 CZ PHE B 46 6.900 -7.564 5.445 1.00 0.00 C ATOM 0 H PHE B 46 12.134 -7.832 7.157 1.00 0.00 H new ATOM 0 HA PHE B 46 11.182 -9.878 5.271 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.590 -6.869 5.176 1.00 0.00 H new ATOM 0 HB3 PHE B 46 11.318 -7.804 3.719 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.817 -7.121 7.071 1.00 0.00 H new ATOM 0 HD2 PHE B 46 9.135 -8.269 3.026 1.00 0.00 H new ATOM 0 HE1 PHE B 46 7.394 -6.998 7.447 1.00 0.00 H new ATOM 0 HE2 PHE B 46 6.711 -8.144 3.397 1.00 0.00 H new ATOM 0 HZ PHE B 46 5.834 -7.510 5.609 1.00 0.00 H new ATOM 2306 N THR B 47 14.191 -8.625 5.435 1.00 0.00 N ATOM 2307 CA THR B 47 15.559 -8.759 4.940 1.00 0.00 C ATOM 2308 C THR B 47 16.518 -9.123 6.069 1.00 0.00 C ATOM 2309 O THR B 47 17.610 -8.562 6.177 1.00 0.00 O ATOM 2310 CB THR B 47 16.004 -7.454 4.278 1.00 0.00 C ATOM 2311 OG1 THR B 47 17.378 -7.506 3.937 1.00 0.00 O ATOM 2312 CG2 THR B 47 15.793 -6.240 5.155 1.00 0.00 C ATOM 0 H THR B 47 14.100 -8.044 6.269 1.00 0.00 H new ATOM 0 HA THR B 47 15.578 -9.563 4.204 1.00 0.00 H new ATOM 0 HB THR B 47 15.382 -7.353 3.388 1.00 0.00 H new ATOM 0 HG1 THR B 47 17.909 -7.671 4.744 1.00 0.00 H new ATOM 0 HG21 THR B 47 16.129 -5.347 4.627 1.00 0.00 H new ATOM 0 HG22 THR B 47 14.734 -6.143 5.394 1.00 0.00 H new ATOM 0 HG23 THR B 47 16.364 -6.353 6.076 1.00 0.00 H new ATOM 2428 N VAL B 55 13.258 -11.032 -2.551 1.00 0.00 N ATOM 2429 CA VAL B 55 12.097 -10.256 -2.128 1.00 0.00 C ATOM 2430 C VAL B 55 12.342 -8.756 -2.279 1.00 0.00 C ATOM 2431 O VAL B 55 11.657 -8.075 -3.041 1.00 0.00 O ATOM 2432 CB VAL B 55 11.728 -10.558 -0.663 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.433 -9.857 -0.279 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.621 -12.058 -0.439 1.00 0.00 C ATOM 0 HA VAL B 55 11.271 -10.549 -2.776 1.00 0.00 H new ATOM 0 HB VAL B 55 12.521 -10.174 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.191 -10.084 0.759 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.553 -8.780 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL B 55 9.626 -10.205 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL B 55 11.360 -12.253 0.601 1.00 0.00 H new ATOM 0 HG22 VAL B 55 10.849 -12.469 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL B 55 12.577 -12.529 -0.667 1.00 0.00 H new ATOM 2444 N LEU B 56 13.318 -8.250 -1.531 1.00 0.00 N ATOM 2445 CA LEU B 56 13.663 -6.839 -1.549 1.00 0.00 C ATOM 2446 C LEU B 56 14.435 -6.462 -2.811 1.00 0.00 C ATOM 2447 O LEU B 56 14.098 -5.498 -3.500 1.00 0.00 O ATOM 2448 CB LEU B 56 14.507 -6.525 -0.309 1.00 0.00 C ATOM 2449 CG LEU B 56 15.519 -5.395 -0.473 1.00 0.00 C ATOM 2450 CD1 LEU B 56 15.686 -4.637 0.831 1.00 0.00 C ATOM 2451 CD2 LEU B 56 16.857 -5.940 -0.951 1.00 0.00 C ATOM 0 H LEU B 56 13.889 -8.809 -0.897 1.00 0.00 H new ATOM 0 HA LEU B 56 12.743 -6.255 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU B 56 13.836 -6.272 0.512 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.042 -7.429 -0.016 1.00 0.00 H new ATOM 0 HG LEU B 56 15.143 -4.703 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.411 -3.835 0.695 1.00 0.00 H new ATOM 0 HD12 LEU B 56 14.728 -4.213 1.131 1.00 0.00 H new ATOM 0 HD13 LEU B 56 16.039 -5.318 1.605 1.00 0.00 H new ATOM 0 HD21 LEU B 56 17.565 -5.119 -1.062 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.240 -6.654 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU B 56 16.725 -6.438 -1.912 1.00 0.00 H new ATOM 2463 N ASP B 57 15.488 -7.216 -3.083 1.00 0.00 N ATOM 2464 CA ASP B 57 16.348 -6.965 -4.235 1.00 0.00 C ATOM 2465 C ASP B 57 15.566 -6.934 -5.547 1.00 0.00 C ATOM 2466 O ASP B 57 15.865 -6.132 -6.431 1.00 0.00 O ATOM 2467 CB ASP B 57 17.438 -8.034 -4.303 1.00 0.00 C ATOM 2468 CG ASP B 57 18.689 -7.542 -5.005 1.00 0.00 C ATOM 2469 OD1 ASP B 57 19.345 -6.621 -4.474 1.00 0.00 O ATOM 2470 OD2 ASP B 57 19.013 -8.079 -6.086 1.00 0.00 O ATOM 0 H ASP B 57 15.772 -8.016 -2.517 1.00 0.00 H new ATOM 0 HA ASP B 57 16.797 -5.980 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP B 57 17.694 -8.353 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP B 57 17.052 -8.909 -4.825 1.00 0.00 H new ATOM 2475 N ARG B 58 14.577 -7.811 -5.680 1.00 0.00 N ATOM 2476 CA ARG B 58 13.776 -7.871 -6.901 1.00 0.00 C ATOM 2477 C ARG B 58 12.789 -6.710 -6.985 1.00 0.00 C ATOM 2478 O ARG B 58 12.468 -6.235 -8.074 1.00 0.00 O ATOM 2479 CB ARG B 58 13.014 -9.193 -6.977 1.00 0.00 C ATOM 2480 CG ARG B 58 13.893 -10.386 -7.319 1.00 0.00 C ATOM 2481 CD ARG B 58 13.185 -11.353 -8.256 1.00 0.00 C ATOM 2482 NE ARG B 58 12.850 -12.612 -7.593 1.00 0.00 N ATOM 2483 CZ ARG B 58 11.791 -12.776 -6.803 1.00 0.00 C ATOM 2484 NH1 ARG B 58 10.966 -11.763 -6.566 1.00 0.00 N ATOM 2485 NH2 ARG B 58 11.555 -13.957 -6.248 1.00 0.00 N ATOM 0 H ARG B 58 14.311 -8.487 -4.964 1.00 0.00 H new ATOM 0 HA ARG B 58 14.464 -7.798 -7.743 1.00 0.00 H new ATOM 0 HB2 ARG B 58 12.525 -9.376 -6.020 1.00 0.00 H new ATOM 0 HB3 ARG B 58 12.227 -9.106 -7.726 1.00 0.00 H new ATOM 0 HG2 ARG B 58 14.815 -10.038 -7.784 1.00 0.00 H new ATOM 0 HG3 ARG B 58 14.174 -10.906 -6.403 1.00 0.00 H new ATOM 0 HD2 ARG B 58 12.274 -10.889 -8.635 1.00 0.00 H new ATOM 0 HD3 ARG B 58 13.822 -11.555 -9.117 1.00 0.00 H new ATOM 0 HE ARG B 58 13.464 -13.412 -7.745 1.00 0.00 H new ATOM 0 HH11 ARG B 58 11.142 -10.852 -6.990 1.00 0.00 H new ATOM 0 HH12 ARG B 58 10.157 -11.896 -5.960 1.00 0.00 H new ATOM 0 HH21 ARG B 58 12.185 -14.739 -6.426 1.00 0.00 H new ATOM 0 HH22 ARG B 58 10.744 -14.083 -5.643 1.00 0.00 H new ATOM 2498 N MET B 59 12.296 -6.269 -5.833 1.00 0.00 N ATOM 2499 CA MET B 59 11.337 -5.187 -5.776 1.00 0.00 C ATOM 2500 C MET B 59 11.986 -3.834 -6.049 1.00 0.00 C ATOM 2501 O MET B 59 11.519 -3.074 -6.898 1.00 0.00 O ATOM 2502 CB MET B 59 10.668 -5.197 -4.403 1.00 0.00 C ATOM 2503 CG MET B 59 10.017 -3.888 -4.045 1.00 0.00 C ATOM 2504 SD MET B 59 11.147 -2.772 -3.200 1.00 0.00 S ATOM 2505 CE MET B 59 11.338 -3.603 -1.635 1.00 0.00 C ATOM 0 H MET B 59 12.551 -6.652 -4.923 1.00 0.00 H new ATOM 0 HA MET B 59 10.591 -5.339 -6.556 1.00 0.00 H new ATOM 0 HB2 MET B 59 9.917 -5.986 -4.379 1.00 0.00 H new ATOM 0 HB3 MET B 59 11.413 -5.443 -3.646 1.00 0.00 H new ATOM 0 HG2 MET B 59 9.647 -3.409 -4.951 1.00 0.00 H new ATOM 0 HG3 MET B 59 9.153 -4.077 -3.408 1.00 0.00 H new ATOM 0 HE1 MET B 59 12.387 -3.588 -1.341 1.00 0.00 H new ATOM 0 HE2 MET B 59 10.741 -3.095 -0.878 1.00 0.00 H new ATOM 0 HE3 MET B 59 11.002 -4.636 -1.728 1.00 0.00 H new ATOM 2515 N MET B 60 13.042 -3.526 -5.313 1.00 0.00 N ATOM 2516 CA MET B 60 13.722 -2.259 -5.463 1.00 0.00 C ATOM 2517 C MET B 60 14.283 -2.081 -6.874 1.00 0.00 C ATOM 2518 O MET B 60 14.381 -0.961 -7.374 1.00 0.00 O ATOM 2519 CB MET B 60 14.821 -2.140 -4.407 1.00 0.00 C ATOM 2520 CG MET B 60 14.443 -1.215 -3.256 1.00 0.00 C ATOM 2521 SD MET B 60 15.432 0.291 -3.229 1.00 0.00 S ATOM 2522 CE MET B 60 15.440 0.682 -4.974 1.00 0.00 C ATOM 0 H MET B 60 13.444 -4.141 -4.605 1.00 0.00 H new ATOM 0 HA MET B 60 12.999 -1.458 -5.312 1.00 0.00 H new ATOM 0 HB2 MET B 60 15.046 -3.130 -4.011 1.00 0.00 H new ATOM 0 HB3 MET B 60 15.732 -1.771 -4.878 1.00 0.00 H new ATOM 0 HG2 MET B 60 13.388 -0.952 -3.337 1.00 0.00 H new ATOM 0 HG3 MET B 60 14.568 -1.745 -2.312 1.00 0.00 H new ATOM 0 HE1 MET B 60 15.528 1.761 -5.105 1.00 0.00 H new ATOM 0 HE2 MET B 60 16.285 0.188 -5.454 1.00 0.00 H new ATOM 0 HE3 MET B 60 14.512 0.336 -5.429 1.00 0.00 H new ATOM 2670 N GLN B 70 13.300 11.308 -8.456 1.00 0.00 N ATOM 2671 CA GLN B 70 13.419 10.696 -7.139 1.00 0.00 C ATOM 2672 C GLN B 70 12.422 9.552 -6.962 1.00 0.00 C ATOM 2673 O GLN B 70 11.800 9.104 -7.924 1.00 0.00 O ATOM 2674 CB GLN B 70 13.207 11.752 -6.050 1.00 0.00 C ATOM 2675 CG GLN B 70 14.455 12.563 -5.744 1.00 0.00 C ATOM 2676 CD GLN B 70 15.304 11.936 -4.655 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.513 10.627 -4.746 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 15.766 12.620 -3.742 1.00 0.00 N flip ATOM 0 HA GLN B 70 14.423 10.281 -7.050 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.410 12.428 -6.360 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.870 11.260 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN B 70 15.050 12.663 -6.651 1.00 0.00 H new ATOM 0 HG3 GLN B 70 14.165 13.569 -5.440 1.00 0.00 H new ATOM 0 HE21 GLN B 70 15.580 13.622 -3.711 1.00 0.00 H new ATOM 0 HE22 GLN B 70 16.335 12.184 -3.016 1.00 0.00 H new ATOM 2687 N LEU B 71 12.281 9.083 -5.722 1.00 0.00 N ATOM 2688 CA LEU B 71 11.369 7.995 -5.406 1.00 0.00 C ATOM 2689 C LEU B 71 9.924 8.413 -5.723 1.00 0.00 C ATOM 2690 O LEU B 71 9.673 8.985 -6.782 1.00 0.00 O ATOM 2691 CB LEU B 71 11.566 7.588 -3.932 1.00 0.00 C ATOM 2692 CG LEU B 71 12.299 6.261 -3.700 1.00 0.00 C ATOM 2693 CD1 LEU B 71 11.324 5.098 -3.748 1.00 0.00 C ATOM 2694 CD2 LEU B 71 13.418 6.064 -4.715 1.00 0.00 C ATOM 0 H LEU B 71 12.793 9.446 -4.918 1.00 0.00 H new ATOM 0 HA LEU B 71 11.583 7.121 -6.022 1.00 0.00 H new ATOM 0 HB2 LEU B 71 12.118 8.380 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.587 7.529 -3.457 1.00 0.00 H new ATOM 0 HG LEU B 71 12.749 6.296 -2.708 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.862 4.165 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.568 5.224 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.841 5.069 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.919 5.115 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU B 71 12.999 6.058 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU B 71 14.137 6.878 -4.626 1.00 0.00 H new ATOM 2706 N ASP B 72 8.971 8.139 -4.829 1.00 0.00 N ATOM 2707 CA ASP B 72 7.578 8.513 -5.078 1.00 0.00 C ATOM 2708 C ASP B 72 6.666 8.070 -3.936 1.00 0.00 C ATOM 2709 O ASP B 72 7.132 7.637 -2.884 1.00 0.00 O ATOM 2710 CB ASP B 72 7.090 7.911 -6.398 1.00 0.00 C ATOM 2711 CG ASP B 72 6.180 8.852 -7.163 1.00 0.00 C ATOM 2712 OD1 ASP B 72 6.283 10.080 -6.952 1.00 0.00 O ATOM 2713 OD2 ASP B 72 5.366 8.362 -7.973 1.00 0.00 O ATOM 0 H ASP B 72 9.135 7.667 -3.940 1.00 0.00 H new ATOM 0 HA ASP B 72 7.537 9.600 -5.142 1.00 0.00 H new ATOM 0 HB2 ASP B 72 7.950 7.658 -7.018 1.00 0.00 H new ATOM 0 HB3 ASP B 72 6.558 6.981 -6.195 1.00 0.00 H new ATOM 2718 N PHE B 73 5.359 8.201 -4.154 1.00 0.00 N ATOM 2719 CA PHE B 73 4.368 7.834 -3.147 1.00 0.00 C ATOM 2720 C PHE B 73 4.053 6.337 -3.162 1.00 0.00 C ATOM 2721 O PHE B 73 4.208 5.658 -2.145 1.00 0.00 O ATOM 2722 CB PHE B 73 3.086 8.646 -3.349 1.00 0.00 C ATOM 2723 CG PHE B 73 2.359 8.321 -4.621 1.00 0.00 C ATOM 2724 CD1 PHE B 73 2.746 8.890 -5.825 1.00 0.00 C ATOM 2725 CD2 PHE B 73 1.289 7.440 -4.613 1.00 0.00 C ATOM 2726 CE1 PHE B 73 2.080 8.587 -6.996 1.00 0.00 C ATOM 2727 CE2 PHE B 73 0.619 7.133 -5.783 1.00 0.00 C ATOM 2728 CZ PHE B 73 1.015 7.707 -6.975 1.00 0.00 C ATOM 0 H PHE B 73 4.962 8.560 -5.022 1.00 0.00 H new ATOM 0 HA PHE B 73 4.796 8.065 -2.171 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.419 8.471 -2.505 1.00 0.00 H new ATOM 0 HB3 PHE B 73 3.334 9.707 -3.344 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.578 9.578 -5.847 1.00 0.00 H new ATOM 0 HD2 PHE B 73 0.975 6.989 -3.683 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.391 9.037 -7.927 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -0.213 6.445 -5.765 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.493 7.468 -7.890 1.00 0.00 H new ATOM 2738 N GLN B 74 3.603 5.818 -4.305 1.00 0.00 N ATOM 2739 CA GLN B 74 3.269 4.403 -4.399 1.00 0.00 C ATOM 2740 C GLN B 74 4.524 3.560 -4.489 1.00 0.00 C ATOM 2741 O GLN B 74 4.539 2.430 -4.020 1.00 0.00 O ATOM 2742 CB GLN B 74 2.362 4.110 -5.597 1.00 0.00 C ATOM 2743 CG GLN B 74 2.068 2.622 -5.785 1.00 0.00 C ATOM 2744 CD GLN B 74 1.620 1.936 -4.502 1.00 0.00 C ATOM 2745 OE1 GLN B 74 2.203 0.771 -4.206 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 0.761 2.445 -3.784 1.00 0.00 N flip ATOM 0 H GLN B 74 3.464 6.349 -5.164 1.00 0.00 H new ATOM 0 HA GLN B 74 2.725 4.142 -3.491 1.00 0.00 H new ATOM 0 HB2 GLN B 74 1.421 4.646 -5.471 1.00 0.00 H new ATOM 0 HB3 GLN B 74 2.831 4.498 -6.502 1.00 0.00 H new ATOM 0 HG2 GLN B 74 1.294 2.504 -6.543 1.00 0.00 H new ATOM 0 HG3 GLN B 74 2.962 2.126 -6.162 1.00 0.00 H new ATOM 0 HE21 GLN B 74 0.340 3.336 -4.046 1.00 0.00 H new ATOM 0 HE22 GLN B 74 0.469 1.976 -2.927 1.00 0.00 H new ATOM 2755 N GLU B 75 5.583 4.110 -5.081 1.00 0.00 N ATOM 2756 CA GLU B 75 6.838 3.376 -5.202 1.00 0.00 C ATOM 2757 C GLU B 75 7.161 2.697 -3.885 1.00 0.00 C ATOM 2758 O GLU B 75 7.558 1.544 -3.857 1.00 0.00 O ATOM 2759 CB GLU B 75 7.979 4.311 -5.609 1.00 0.00 C ATOM 2760 CG GLU B 75 8.552 4.004 -6.983 1.00 0.00 C ATOM 2761 CD GLU B 75 8.853 5.256 -7.782 1.00 0.00 C ATOM 2762 OE1 GLU B 75 9.520 6.161 -7.238 1.00 0.00 O ATOM 2763 OE2 GLU B 75 8.422 5.332 -8.951 1.00 0.00 O ATOM 0 H GLU B 75 5.597 5.049 -5.479 1.00 0.00 H new ATOM 0 HA GLU B 75 6.726 2.620 -5.979 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.618 5.339 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.776 4.243 -4.868 1.00 0.00 H new ATOM 0 HG2 GLU B 75 9.466 3.421 -6.869 1.00 0.00 H new ATOM 0 HG3 GLU B 75 7.846 3.385 -7.537 1.00 0.00 H new ATOM 2770 N PHE B 76 6.956 3.406 -2.788 1.00 0.00 N ATOM 2771 CA PHE B 76 7.211 2.828 -1.483 1.00 0.00 C ATOM 2772 C PHE B 76 6.175 1.759 -1.177 1.00 0.00 C ATOM 2773 O PHE B 76 6.520 0.612 -0.894 1.00 0.00 O ATOM 2774 CB PHE B 76 7.196 3.909 -0.404 1.00 0.00 C ATOM 2775 CG PHE B 76 8.119 3.626 0.746 1.00 0.00 C ATOM 2776 CD1 PHE B 76 7.875 2.565 1.603 1.00 0.00 C ATOM 2777 CD2 PHE B 76 9.229 4.422 0.970 1.00 0.00 C ATOM 2778 CE1 PHE B 76 8.723 2.303 2.662 1.00 0.00 C ATOM 2779 CE2 PHE B 76 10.081 4.166 2.028 1.00 0.00 C ATOM 2780 CZ PHE B 76 9.827 3.106 2.874 1.00 0.00 C ATOM 0 H PHE B 76 6.619 4.369 -2.775 1.00 0.00 H new ATOM 0 HA PHE B 76 8.199 2.369 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.472 4.863 -0.854 1.00 0.00 H new ATOM 0 HB3 PHE B 76 6.180 4.017 -0.025 1.00 0.00 H new ATOM 0 HD1 PHE B 76 7.012 1.936 1.441 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.432 5.253 0.310 1.00 0.00 H new ATOM 0 HE1 PHE B 76 8.523 1.472 3.323 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.944 4.794 2.192 1.00 0.00 H new ATOM 0 HZ PHE B 76 10.491 2.904 3.702 1.00 0.00 H new ATOM 2790 N LEU B 77 4.899 2.128 -1.266 1.00 0.00 N ATOM 2791 CA LEU B 77 3.825 1.175 -1.030 1.00 0.00 C ATOM 2792 C LEU B 77 4.030 -0.042 -1.923 1.00 0.00 C ATOM 2793 O LEU B 77 3.737 -1.173 -1.542 1.00 0.00 O ATOM 2794 CB LEU B 77 2.468 1.826 -1.297 1.00 0.00 C ATOM 2795 CG LEU B 77 1.803 2.433 -0.064 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.744 3.449 -0.463 1.00 0.00 C ATOM 2797 CD2 LEU B 77 1.205 1.333 0.792 1.00 0.00 C ATOM 0 H LEU B 77 4.589 3.072 -1.498 1.00 0.00 H new ATOM 0 HA LEU B 77 3.842 0.857 0.012 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.595 2.607 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.799 1.079 -1.724 1.00 0.00 H new ATOM 0 HG LEU B 77 2.559 2.958 0.520 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.285 3.867 0.433 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.207 4.249 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.020 2.960 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.732 1.772 1.670 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.460 0.786 0.214 1.00 0.00 H new ATOM 0 HD23 LEU B 77 1.993 0.649 1.108 1.00 0.00 H new ATOM 2809 N ASN B 78 4.574 0.216 -3.107 1.00 0.00 N ATOM 2810 CA ASN B 78 4.878 -0.828 -4.074 1.00 0.00 C ATOM 2811 C ASN B 78 6.110 -1.588 -3.621 1.00 0.00 C ATOM 2812 O ASN B 78 6.183 -2.811 -3.738 1.00 0.00 O ATOM 2813 CB ASN B 78 5.152 -0.212 -5.452 1.00 0.00 C ATOM 2814 CG ASN B 78 4.138 -0.619 -6.499 1.00 0.00 C ATOM 2815 OD1 ASN B 78 3.606 -1.729 -6.473 1.00 0.00 O ATOM 2816 ND2 ASN B 78 3.867 0.287 -7.431 1.00 0.00 N ATOM 0 H ASN B 78 4.816 1.155 -3.422 1.00 0.00 H new ATOM 0 HA ASN B 78 4.025 -1.502 -4.145 1.00 0.00 H new ATOM 0 HB2 ASN B 78 5.157 0.874 -5.363 1.00 0.00 H new ATOM 0 HB3 ASN B 78 6.147 -0.509 -5.784 1.00 0.00 H new ATOM 0 HD21 ASN B 78 3.193 0.076 -8.167 1.00 0.00 H new ATOM 0 HD22 ASN B 78 4.333 1.194 -7.411 1.00 0.00 H new ATOM 2823 N LEU B 79 7.085 -0.842 -3.111 1.00 0.00 N ATOM 2824 CA LEU B 79 8.325 -1.433 -2.650 1.00 0.00 C ATOM 2825 C LEU B 79 8.070 -2.337 -1.456 1.00 0.00 C ATOM 2826 O LEU B 79 8.365 -3.525 -1.500 1.00 0.00 O ATOM 2827 CB LEU B 79 9.349 -0.348 -2.297 1.00 0.00 C ATOM 2828 CG LEU B 79 9.951 0.405 -3.497 1.00 0.00 C ATOM 2829 CD1 LEU B 79 11.448 0.238 -3.580 1.00 0.00 C ATOM 2830 CD2 LEU B 79 9.322 -0.036 -4.801 1.00 0.00 C ATOM 0 H LEU B 79 7.035 0.172 -3.009 1.00 0.00 H new ATOM 0 HA LEU B 79 8.737 -2.036 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.873 0.377 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU B 79 10.161 -0.808 -1.733 1.00 0.00 H new ATOM 0 HG LEU B 79 9.731 1.460 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.828 0.787 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU B 79 11.908 0.626 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU B 79 11.691 -0.819 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU B 79 9.771 0.516 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU B 79 9.491 -1.103 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU B 79 8.250 0.161 -4.773 1.00 0.00 H new ATOM 2842 N ILE B 80 7.495 -1.776 -0.401 1.00 0.00 N ATOM 2843 CA ILE B 80 7.186 -2.550 0.792 1.00 0.00 C ATOM 2844 C ILE B 80 5.976 -3.447 0.565 1.00 0.00 C ATOM 2845 O ILE B 80 5.974 -4.610 0.969 1.00 0.00 O ATOM 2846 CB ILE B 80 6.941 -1.656 2.021 1.00 0.00 C ATOM 2847 CG1 ILE B 80 6.945 -2.502 3.293 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.629 -0.916 1.886 1.00 0.00 C ATOM 2849 CD1 ILE B 80 5.600 -3.126 3.610 1.00 0.00 C ATOM 0 H ILE B 80 7.234 -0.791 -0.347 1.00 0.00 H new ATOM 0 HA ILE B 80 8.061 -3.168 0.993 1.00 0.00 H new ATOM 0 HB ILE B 80 7.744 -0.922 2.084 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.688 -3.293 3.191 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.255 -1.880 4.133 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.473 -0.289 2.764 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.654 -0.291 0.994 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.813 -1.634 1.803 1.00 0.00 H new ATOM 0 HD11 ILE B 80 5.678 -3.712 4.526 1.00 0.00 H new ATOM 0 HD12 ILE B 80 4.857 -2.340 3.744 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.297 -3.775 2.788 1.00 0.00 H new ATOM 2861 N GLY B 81 4.947 -2.910 -0.092 1.00 0.00 N ATOM 2862 CA GLY B 81 3.759 -3.701 -0.358 1.00 0.00 C ATOM 2863 C GLY B 81 4.114 -5.001 -1.040 1.00 0.00 C ATOM 2864 O GLY B 81 3.719 -6.075 -0.589 1.00 0.00 O ATOM 0 H GLY B 81 4.916 -1.952 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.239 -3.907 0.577 1.00 0.00 H new ATOM 0 HA3 GLY B 81 3.073 -3.133 -0.986 1.00 0.00 H new ATOM 2868 N GLY B 82 4.893 -4.903 -2.114 1.00 0.00 N ATOM 2869 CA GLY B 82 5.323 -6.099 -2.824 1.00 0.00 C ATOM 2870 C GLY B 82 5.981 -7.102 -1.892 1.00 0.00 C ATOM 2871 O GLY B 82 5.728 -8.303 -1.987 1.00 0.00 O ATOM 0 H GLY B 82 5.233 -4.024 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY B 82 4.464 -6.563 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.023 -5.822 -3.612 1.00 0.00 H new ATOM 2875 N LEU B 83 6.820 -6.614 -0.977 1.00 0.00 N ATOM 2876 CA LEU B 83 7.487 -7.494 -0.021 1.00 0.00 C ATOM 2877 C LEU B 83 6.461 -8.206 0.836 1.00 0.00 C ATOM 2878 O LEU B 83 6.575 -9.402 1.095 1.00 0.00 O ATOM 2879 CB LEU B 83 8.445 -6.714 0.871 1.00 0.00 C ATOM 2880 CG LEU B 83 9.153 -5.551 0.190 1.00 0.00 C ATOM 2881 CD1 LEU B 83 10.219 -4.978 1.102 1.00 0.00 C ATOM 2882 CD2 LEU B 83 9.753 -5.993 -1.138 1.00 0.00 C ATOM 0 H LEU B 83 7.051 -5.625 -0.879 1.00 0.00 H new ATOM 0 HA LEU B 83 8.062 -8.227 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.890 -6.331 1.728 1.00 0.00 H new ATOM 0 HB3 LEU B 83 9.197 -7.401 1.259 1.00 0.00 H new ATOM 0 HG LEU B 83 8.422 -4.769 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.717 -4.147 0.602 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.757 -4.623 2.023 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.950 -5.751 1.337 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.255 -5.148 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.474 -6.792 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU B 83 8.961 -6.356 -1.792 1.00 0.00 H new ATOM 2894 N ALA B 84 5.442 -7.468 1.268 1.00 0.00 N ATOM 2895 CA ALA B 84 4.389 -8.057 2.088 1.00 0.00 C ATOM 2896 C ALA B 84 3.791 -9.267 1.390 1.00 0.00 C ATOM 2897 O ALA B 84 3.376 -10.235 2.027 1.00 0.00 O ATOM 2898 CB ALA B 84 3.286 -7.051 2.340 1.00 0.00 C ATOM 0 H ALA B 84 5.324 -6.475 1.067 1.00 0.00 H new ATOM 0 HA ALA B 84 4.833 -8.359 3.037 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.510 -7.508 2.953 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.695 -6.185 2.860 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.858 -6.735 1.389 1.00 0.00 H new ATOM 2904 N VAL B 85 3.755 -9.190 0.071 1.00 0.00 N ATOM 2905 CA VAL B 85 3.211 -10.260 -0.750 1.00 0.00 C ATOM 2906 C VAL B 85 4.260 -11.322 -1.043 1.00 0.00 C ATOM 2907 O VAL B 85 3.934 -12.443 -1.434 1.00 0.00 O ATOM 2908 CB VAL B 85 2.612 -9.740 -2.079 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.162 -10.166 -2.180 1.00 0.00 C ATOM 2910 CG2 VAL B 85 2.718 -8.223 -2.203 1.00 0.00 C ATOM 0 H VAL B 85 4.099 -8.390 -0.459 1.00 0.00 H new ATOM 0 HA VAL B 85 2.404 -10.706 -0.169 1.00 0.00 H new ATOM 0 HB VAL B 85 3.188 -10.174 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL B 85 0.740 -9.800 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.100 -11.254 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.602 -9.751 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL B 85 2.285 -7.904 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.179 -7.752 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL B 85 3.766 -7.927 -2.165 1.00 0.00 H new ATOM 2920 N ALA B 86 5.515 -10.961 -0.852 1.00 0.00 N ATOM 2921 CA ALA B 86 6.618 -11.870 -1.092 1.00 0.00 C ATOM 2922 C ALA B 86 7.321 -12.237 0.211 1.00 0.00 C ATOM 2923 O ALA B 86 8.423 -12.786 0.201 1.00 0.00 O ATOM 2924 CB ALA B 86 7.584 -11.219 -2.052 1.00 0.00 C ATOM 0 H ALA B 86 5.797 -10.036 -0.528 1.00 0.00 H new ATOM 0 HA ALA B 86 6.234 -12.794 -1.525 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.419 -11.893 -2.241 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.074 -11.002 -2.990 1.00 0.00 H new ATOM 0 HB3 ALA B 86 7.958 -10.291 -1.619 1.00 0.00 H new ATOM 2930 N CYS B 87 6.675 -11.927 1.330 1.00 0.00 N ATOM 2931 CA CYS B 87 7.232 -12.217 2.641 1.00 0.00 C ATOM 2932 C CYS B 87 6.126 -12.359 3.681 1.00 0.00 C ATOM 2933 O CYS B 87 6.158 -13.268 4.510 1.00 0.00 O ATOM 2934 CB CYS B 87 8.207 -11.114 3.059 1.00 0.00 C ATOM 2935 SG CYS B 87 9.284 -11.565 4.439 1.00 0.00 S ATOM 0 H CYS B 87 5.762 -11.473 1.352 1.00 0.00 H new ATOM 0 HA CYS B 87 7.771 -13.163 2.580 1.00 0.00 H new ATOM 0 HB2 CYS B 87 8.825 -10.846 2.202 1.00 0.00 H new ATOM 0 HB3 CYS B 87 7.638 -10.225 3.332 1.00 0.00 H new ATOM 0 HG CYS B 87 8.682 -12.437 5.192 1.00 0.00 H new ATOM 2941 N HIS B 88 5.142 -11.462 3.632 1.00 0.00 N ATOM 2942 CA HIS B 88 4.033 -11.511 4.579 1.00 0.00 C ATOM 2943 C HIS B 88 2.855 -12.290 3.996 1.00 0.00 C ATOM 2944 O HIS B 88 3.003 -13.011 3.010 1.00 0.00 O ATOM 2945 CB HIS B 88 3.593 -10.095 4.962 1.00 0.00 C ATOM 2946 CG HIS B 88 3.628 -9.840 6.437 1.00 0.00 C ATOM 2947 ND1 HIS B 88 4.625 -9.389 7.235 1.00 0.00 N flip ATOM 2948 CD2 HIS B 88 2.545 -10.054 7.264 1.00 0.00 C flip ATOM 2949 CE1 HIS B 88 4.131 -9.339 8.514 1.00 0.00 C flip ATOM 2950 NE2 HIS B 88 2.875 -9.743 8.505 1.00 0.00 N flip ATOM 0 H HIS B 88 5.091 -10.701 2.954 1.00 0.00 H new ATOM 0 HA HIS B 88 4.376 -12.026 5.476 1.00 0.00 H new ATOM 0 HB2 HIS B 88 4.239 -9.374 4.461 1.00 0.00 H new ATOM 0 HB3 HIS B 88 2.581 -9.925 4.595 1.00 0.00 H new ATOM 0 HD1 HIS B 88 5.568 -9.134 6.940 1.00 0.00 H new ATOM 0 HD2 HIS B 88 1.579 -10.418 6.947 1.00 0.00 H new ATOM 0 HE1 HIS B 88 4.681 -9.020 9.387 1.00 0.00 H new ATOM 2959 N GLU B 89 1.687 -12.144 4.616 1.00 0.00 N ATOM 2960 CA GLU B 89 0.485 -12.836 4.162 1.00 0.00 C ATOM 2961 C GLU B 89 0.161 -12.472 2.713 1.00 0.00 C ATOM 2962 O GLU B 89 1.011 -11.950 1.991 1.00 0.00 O ATOM 2963 CB GLU B 89 -0.695 -12.490 5.074 1.00 0.00 C ATOM 2964 CG GLU B 89 -0.421 -12.743 6.547 1.00 0.00 C ATOM 2965 CD GLU B 89 -1.199 -11.809 7.453 1.00 0.00 C ATOM 2966 OE1 GLU B 89 -2.435 -11.964 7.546 1.00 0.00 O ATOM 2967 OE2 GLU B 89 -0.573 -10.921 8.070 1.00 0.00 O ATOM 0 H GLU B 89 1.548 -11.552 5.435 1.00 0.00 H new ATOM 0 HA GLU B 89 0.667 -13.910 4.209 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -0.954 -11.440 4.936 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -1.563 -13.075 4.769 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -0.677 -13.775 6.789 1.00 0.00 H new ATOM 0 HG3 GLU B 89 0.645 -12.626 6.740 1.00 0.00 H new ATOM 2974 N SER B 90 -1.074 -12.756 2.292 1.00 0.00 N ATOM 2975 CA SER B 90 -1.521 -12.467 0.929 1.00 0.00 C ATOM 2976 C SER B 90 -1.067 -13.556 -0.038 1.00 0.00 C ATOM 2977 O SER B 90 -1.888 -14.179 -0.713 1.00 0.00 O ATOM 2978 CB SER B 90 -1.007 -11.102 0.460 1.00 0.00 C ATOM 2979 OG SER B 90 -1.949 -10.465 -0.386 1.00 0.00 O ATOM 0 H SER B 90 -1.786 -13.189 2.881 1.00 0.00 H new ATOM 0 HA SER B 90 -2.611 -12.443 0.939 1.00 0.00 H new ATOM 0 HB2 SER B 90 -0.804 -10.470 1.324 1.00 0.00 H new ATOM 0 HB3 SER B 90 -0.064 -11.228 -0.071 1.00 0.00 H new ATOM 0 HG SER B 90 -2.730 -10.193 0.140 1.00 0.00 H new ATOM 2985 N PHE B 91 0.240 -13.784 -0.101 1.00 0.00 N ATOM 2986 CA PHE B 91 0.797 -14.800 -0.986 1.00 0.00 C ATOM 2987 C PHE B 91 1.539 -15.868 -0.187 1.00 0.00 C ATOM 2988 O PHE B 91 1.379 -17.064 -0.430 1.00 0.00 O ATOM 2989 CB PHE B 91 1.740 -14.158 -2.006 1.00 0.00 C ATOM 2990 CG PHE B 91 1.258 -14.275 -3.424 1.00 0.00 C ATOM 2991 CD1 PHE B 91 1.216 -15.509 -4.054 1.00 0.00 C ATOM 2992 CD2 PHE B 91 0.849 -13.153 -4.126 1.00 0.00 C ATOM 2993 CE1 PHE B 91 0.772 -15.621 -5.358 1.00 0.00 C ATOM 2994 CE2 PHE B 91 0.405 -13.259 -5.431 1.00 0.00 C ATOM 2995 CZ PHE B 91 0.366 -14.495 -6.048 1.00 0.00 C ATOM 0 H PHE B 91 0.934 -13.279 0.450 1.00 0.00 H new ATOM 0 HA PHE B 91 -0.027 -15.277 -1.517 1.00 0.00 H new ATOM 0 HB2 PHE B 91 1.866 -13.104 -1.759 1.00 0.00 H new ATOM 0 HB3 PHE B 91 2.722 -14.624 -1.925 1.00 0.00 H new ATOM 0 HD1 PHE B 91 1.534 -16.392 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE B 91 0.877 -12.185 -3.649 1.00 0.00 H new ATOM 0 HE1 PHE B 91 0.742 -16.588 -5.837 1.00 0.00 H new ATOM 0 HE2 PHE B 91 0.089 -12.377 -5.968 1.00 0.00 H new ATOM 0 HZ PHE B 91 0.019 -14.581 -7.067 1.00 0.00 H new ATOM 3005 N VAL B 92 2.350 -15.425 0.768 1.00 0.00 N ATOM 3006 CA VAL B 92 3.116 -16.340 1.605 1.00 0.00 C ATOM 3007 C VAL B 92 2.211 -17.032 2.620 1.00 0.00 C ATOM 3008 O VAL B 92 1.067 -16.623 2.819 1.00 0.00 O ATOM 3009 CB VAL B 92 4.251 -15.606 2.352 1.00 0.00 C ATOM 3010 CG1 VAL B 92 5.280 -16.597 2.875 1.00 0.00 C ATOM 3011 CG2 VAL B 92 4.912 -14.575 1.448 1.00 0.00 C ATOM 0 H VAL B 92 2.493 -14.438 0.981 1.00 0.00 H new ATOM 0 HA VAL B 92 3.557 -17.087 0.944 1.00 0.00 H new ATOM 0 HB VAL B 92 3.815 -15.084 3.204 1.00 0.00 H new ATOM 0 HG11 VAL B 92 6.071 -16.059 3.398 1.00 0.00 H new ATOM 0 HG12 VAL B 92 4.799 -17.293 3.562 1.00 0.00 H new ATOM 0 HG13 VAL B 92 5.709 -17.151 2.040 1.00 0.00 H new ATOM 0 HG21 VAL B 92 5.709 -14.070 1.994 1.00 0.00 H new ATOM 0 HG22 VAL B 92 5.331 -15.073 0.574 1.00 0.00 H new ATOM 0 HG23 VAL B 92 4.170 -13.843 1.128 1.00 0.00 H new