USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 SER OG : rot -84:sc= 1.56 USER MOD Set 1.2: A 72 THR OG1 : rot 94:sc= 0.867 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 31 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0.877) USER MOD Single : A 37 GLN : amide:sc= 0.0856 K(o=0.086,f=-0.99) USER MOD Single : A 38 ASN : amide:sc= -0.36 K(o=-0.36,f=-1.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.584 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 146:sc= 0.267 (180deg=-1.28) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc=-0.00544 (180deg=-0.121) USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.0175 (180deg=-0.208) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 65 MET CE :methyl -152:sc= -3.98! (180deg=-6.48!) USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 101 SER OG : rot -41:sc= 0.217 USER MOD Single : B 102 GLN : amide:sc=2.02e-05 X(o=2e-05,f=0) USER MOD Single : B 104 LYS NZ :NH3+ 167:sc= 1.22 (180deg=0.939) USER MOD Single : B 107 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 20 -15.110 -3.502 3.624 1.00 0.00 N ATOM 2 CA GLU A 20 -15.464 -3.645 2.214 1.00 0.00 C ATOM 3 C GLU A 20 -14.606 -2.748 1.329 1.00 0.00 C ATOM 4 O GLU A 20 -14.663 -2.834 0.103 1.00 0.00 O ATOM 5 CB GLU A 20 -16.939 -3.300 1.997 1.00 0.00 C ATOM 6 CG GLU A 20 -17.873 -3.904 3.015 1.00 0.00 C ATOM 7 CD GLU A 20 -17.653 -5.385 3.240 1.00 0.00 C ATOM 8 OE1 GLU A 20 -17.590 -6.143 2.251 1.00 0.00 O ATOM 9 OE2 GLU A 20 -17.564 -5.798 4.415 1.00 0.00 O ATOM 0 HA GLU A 20 -15.283 -4.684 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.053 -2.216 2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.236 -3.636 1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.751 -3.380 3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.901 -3.744 2.692 1.00 0.00 H new ATOM 16 N ASN A 21 -13.804 -1.896 1.949 1.00 0.00 N ATOM 17 CA ASN A 21 -12.985 -0.942 1.205 1.00 0.00 C ATOM 18 C ASN A 21 -11.609 -1.526 0.921 1.00 0.00 C ATOM 19 O ASN A 21 -10.629 -0.799 0.759 1.00 0.00 O ATOM 20 CB ASN A 21 -12.842 0.370 1.980 1.00 0.00 C ATOM 21 CG ASN A 21 -14.168 1.068 2.217 1.00 0.00 C ATOM 22 OD1 ASN A 21 -15.091 0.977 1.410 1.00 0.00 O ATOM 23 ND2 ASN A 21 -14.271 1.763 3.339 1.00 0.00 N ATOM 0 H ASN A 21 -13.700 -1.843 2.962 1.00 0.00 H new ATOM 0 HA ASN A 21 -13.484 -0.737 0.258 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.368 0.168 2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.179 1.039 1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.140 2.248 3.560 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.481 1.813 3.982 1.00 0.00 H new ATOM 30 N VAL A 22 -11.550 -2.846 0.856 1.00 0.00 N ATOM 31 CA VAL A 22 -10.307 -3.558 0.611 1.00 0.00 C ATOM 32 C VAL A 22 -10.275 -4.072 -0.830 1.00 0.00 C ATOM 33 O VAL A 22 -9.442 -4.903 -1.190 1.00 0.00 O ATOM 34 CB VAL A 22 -10.150 -4.739 1.603 1.00 0.00 C ATOM 35 CG1 VAL A 22 -11.098 -5.879 1.250 1.00 0.00 C ATOM 36 CG2 VAL A 22 -8.706 -5.223 1.666 1.00 0.00 C ATOM 0 H VAL A 22 -12.361 -3.453 0.971 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.476 -2.869 0.762 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.418 -4.376 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.967 -6.694 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.127 -5.522 1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.878 -6.237 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.630 -6.051 2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.391 -5.557 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.063 -4.407 1.995 1.00 0.00 H new ATOM 46 N LEU A 23 -11.193 -3.551 -1.647 1.00 0.00 N ATOM 47 CA LEU A 23 -11.360 -3.989 -3.033 1.00 0.00 C ATOM 48 C LEU A 23 -10.056 -3.858 -3.821 1.00 0.00 C ATOM 49 O LEU A 23 -9.658 -2.757 -4.202 1.00 0.00 O ATOM 50 CB LEU A 23 -12.466 -3.170 -3.711 1.00 0.00 C ATOM 51 CG LEU A 23 -12.711 -3.492 -5.188 1.00 0.00 C ATOM 52 CD1 LEU A 23 -13.202 -4.921 -5.357 1.00 0.00 C ATOM 53 CD2 LEU A 23 -13.708 -2.514 -5.788 1.00 0.00 C ATOM 0 H LEU A 23 -11.840 -2.815 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.642 -5.042 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -13.396 -3.324 -3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.217 -2.112 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.764 -3.392 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.369 -5.126 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.454 -5.611 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.136 -5.052 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.870 -2.758 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -14.653 -2.582 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.317 -1.500 -5.707 1.00 0.00 H new ATOM 65 N PRO A 24 -9.393 -4.993 -4.088 1.00 0.00 N ATOM 66 CA PRO A 24 -8.106 -5.022 -4.756 1.00 0.00 C ATOM 67 C PRO A 24 -8.239 -5.171 -6.269 1.00 0.00 C ATOM 68 O PRO A 24 -8.700 -6.200 -6.768 1.00 0.00 O ATOM 69 CB PRO A 24 -7.455 -6.257 -4.133 1.00 0.00 C ATOM 70 CG PRO A 24 -8.586 -7.183 -3.806 1.00 0.00 C ATOM 71 CD PRO A 24 -9.847 -6.353 -3.749 1.00 0.00 C ATOM 0 HA PRO A 24 -7.536 -4.102 -4.628 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.754 -6.723 -4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.891 -5.994 -3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.674 -7.963 -4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.411 -7.681 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.594 -6.713 -4.457 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.303 -6.387 -2.760 1.00 0.00 H new ATOM 79 N ARG A 25 -7.859 -4.132 -6.999 1.00 0.00 N ATOM 80 CA ARG A 25 -7.932 -4.164 -8.453 1.00 0.00 C ATOM 81 C ARG A 25 -6.646 -3.632 -9.076 1.00 0.00 C ATOM 82 O ARG A 25 -5.802 -3.065 -8.378 1.00 0.00 O ATOM 83 CB ARG A 25 -9.135 -3.361 -8.964 1.00 0.00 C ATOM 84 CG ARG A 25 -10.470 -3.849 -8.428 1.00 0.00 C ATOM 85 CD ARG A 25 -11.635 -3.252 -9.198 1.00 0.00 C ATOM 86 NE ARG A 25 -11.649 -1.790 -9.154 1.00 0.00 N ATOM 87 CZ ARG A 25 -12.530 -1.041 -9.815 1.00 0.00 C ATOM 88 NH1 ARG A 25 -13.483 -1.612 -10.536 1.00 0.00 N ATOM 89 NH2 ARG A 25 -12.473 0.277 -9.731 1.00 0.00 N ATOM 0 H ARG A 25 -7.499 -3.260 -6.611 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.059 -5.205 -8.752 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -9.004 -2.314 -8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.153 -3.405 -10.053 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.512 -4.936 -8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.557 -3.586 -7.374 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.585 -3.580 -10.236 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.570 -3.633 -8.788 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.945 -1.318 -8.586 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.544 -2.629 -10.587 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -14.156 -1.035 -11.041 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.754 0.721 -9.160 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -13.148 0.850 -10.237 1.00 0.00 H new ATOM 103 N GLU A 26 -6.512 -3.806 -10.384 1.00 0.00 N ATOM 104 CA GLU A 26 -5.301 -3.422 -11.109 1.00 0.00 C ATOM 105 C GLU A 26 -4.913 -1.950 -10.868 1.00 0.00 C ATOM 106 O GLU A 26 -3.763 -1.667 -10.521 1.00 0.00 O ATOM 107 CB GLU A 26 -5.480 -3.694 -12.608 1.00 0.00 C ATOM 108 CG GLU A 26 -4.187 -3.632 -13.405 1.00 0.00 C ATOM 109 CD GLU A 26 -3.175 -4.661 -12.948 1.00 0.00 C ATOM 110 OE1 GLU A 26 -2.311 -4.321 -12.114 1.00 0.00 O ATOM 111 OE2 GLU A 26 -3.243 -5.812 -13.416 1.00 0.00 O ATOM 0 H GLU A 26 -7.236 -4.216 -10.974 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.482 -4.031 -10.725 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.928 -4.679 -12.737 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.183 -2.968 -13.017 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.407 -3.788 -14.461 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.754 -2.636 -13.313 1.00 0.00 H new ATOM 118 N PRO A 27 -5.855 -0.984 -11.038 1.00 0.00 N ATOM 119 CA PRO A 27 -5.579 0.445 -10.817 1.00 0.00 C ATOM 120 C PRO A 27 -4.959 0.739 -9.448 1.00 0.00 C ATOM 121 O PRO A 27 -4.215 1.710 -9.289 1.00 0.00 O ATOM 122 CB PRO A 27 -6.960 1.113 -10.929 1.00 0.00 C ATOM 123 CG PRO A 27 -7.949 0.001 -10.917 1.00 0.00 C ATOM 124 CD PRO A 27 -7.240 -1.185 -11.490 1.00 0.00 C ATOM 0 HA PRO A 27 -4.849 0.815 -11.537 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.132 1.798 -10.099 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.039 1.697 -11.846 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.295 -0.203 -9.904 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.828 0.254 -11.509 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.655 -2.122 -11.119 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.311 -1.213 -12.577 1.00 0.00 H new ATOM 132 N LEU A 28 -5.264 -0.102 -8.466 1.00 0.00 N ATOM 133 CA LEU A 28 -4.722 0.064 -7.122 1.00 0.00 C ATOM 134 C LEU A 28 -3.228 -0.209 -7.113 1.00 0.00 C ATOM 135 O LEU A 28 -2.452 0.552 -6.535 1.00 0.00 O ATOM 136 CB LEU A 28 -5.427 -0.865 -6.123 1.00 0.00 C ATOM 137 CG LEU A 28 -6.749 -0.342 -5.550 1.00 0.00 C ATOM 138 CD1 LEU A 28 -6.524 0.977 -4.828 1.00 0.00 C ATOM 139 CD2 LEU A 28 -7.801 -0.192 -6.642 1.00 0.00 C ATOM 0 H LEU A 28 -5.883 -0.905 -8.575 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.898 1.096 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.617 -1.819 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.746 -1.062 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.123 -1.071 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.471 1.338 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.816 0.829 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.124 1.711 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.728 0.181 -6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.446 0.511 -7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.983 -1.161 -7.108 1.00 0.00 H new ATOM 151 N ILE A 29 -2.835 -1.286 -7.782 1.00 0.00 N ATOM 152 CA ILE A 29 -1.436 -1.679 -7.854 1.00 0.00 C ATOM 153 C ILE A 29 -0.609 -0.586 -8.518 1.00 0.00 C ATOM 154 O ILE A 29 0.414 -0.159 -7.985 1.00 0.00 O ATOM 155 CB ILE A 29 -1.262 -3.000 -8.638 1.00 0.00 C ATOM 156 CG1 ILE A 29 -2.142 -4.101 -8.037 1.00 0.00 C ATOM 157 CG2 ILE A 29 0.199 -3.432 -8.645 1.00 0.00 C ATOM 158 CD1 ILE A 29 -1.847 -4.395 -6.582 1.00 0.00 C ATOM 0 H ILE A 29 -3.471 -1.905 -8.285 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.086 -1.831 -6.833 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.575 -2.830 -9.668 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.188 -3.810 -8.134 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.010 -5.015 -8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.300 -4.364 -9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.805 -2.659 -9.118 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.539 -3.583 -7.620 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.510 -5.185 -6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.811 -4.718 -6.479 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.007 -3.494 -5.989 1.00 0.00 H new ATOM 170 N ALA A 30 -1.075 -0.122 -9.672 1.00 0.00 N ATOM 171 CA ALA A 30 -0.386 0.925 -10.419 1.00 0.00 C ATOM 172 C ALA A 30 -0.201 2.183 -9.577 1.00 0.00 C ATOM 173 O ALA A 30 0.895 2.742 -9.512 1.00 0.00 O ATOM 174 CB ALA A 30 -1.152 1.255 -11.687 1.00 0.00 C ATOM 0 H ALA A 30 -1.932 -0.456 -10.113 1.00 0.00 H new ATOM 0 HA ALA A 30 0.603 0.550 -10.683 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.628 2.038 -12.236 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.227 0.363 -12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.152 1.601 -11.428 1.00 0.00 H new ATOM 180 N THR A 31 -1.271 2.617 -8.923 1.00 0.00 N ATOM 181 CA THR A 31 -1.223 3.808 -8.092 1.00 0.00 C ATOM 182 C THR A 31 -0.312 3.590 -6.887 1.00 0.00 C ATOM 183 O THR A 31 0.421 4.494 -6.478 1.00 0.00 O ATOM 184 CB THR A 31 -2.629 4.216 -7.608 1.00 0.00 C ATOM 185 OG1 THR A 31 -3.519 4.312 -8.729 1.00 0.00 O ATOM 186 CG2 THR A 31 -2.592 5.553 -6.877 1.00 0.00 C ATOM 0 H THR A 31 -2.182 2.160 -8.954 1.00 0.00 H new ATOM 0 HA THR A 31 -0.821 4.614 -8.706 1.00 0.00 H new ATOM 0 HB THR A 31 -2.984 3.452 -6.916 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.749 3.412 -9.042 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.597 5.815 -6.547 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.934 5.476 -6.011 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.218 6.325 -7.549 1.00 0.00 H new ATOM 194 N ALA A 32 -0.346 2.383 -6.332 1.00 0.00 N ATOM 195 CA ALA A 32 0.472 2.063 -5.177 1.00 0.00 C ATOM 196 C ALA A 32 1.950 2.061 -5.538 1.00 0.00 C ATOM 197 O ALA A 32 2.745 2.677 -4.850 1.00 0.00 O ATOM 198 CB ALA A 32 0.074 0.729 -4.571 1.00 0.00 C ATOM 0 H ALA A 32 -0.930 1.616 -6.665 1.00 0.00 H new ATOM 0 HA ALA A 32 0.301 2.839 -4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.706 0.519 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.969 0.769 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.199 -0.060 -5.313 1.00 0.00 H new ATOM 204 N VAL A 33 2.313 1.383 -6.627 1.00 0.00 N ATOM 205 CA VAL A 33 3.711 1.321 -7.060 1.00 0.00 C ATOM 206 C VAL A 33 4.261 2.723 -7.324 1.00 0.00 C ATOM 207 O VAL A 33 5.387 3.038 -6.934 1.00 0.00 O ATOM 208 CB VAL A 33 3.884 0.450 -8.326 1.00 0.00 C ATOM 209 CG1 VAL A 33 5.334 0.450 -8.794 1.00 0.00 C ATOM 210 CG2 VAL A 33 3.422 -0.971 -8.059 1.00 0.00 C ATOM 0 H VAL A 33 1.663 0.871 -7.223 1.00 0.00 H new ATOM 0 HA VAL A 33 4.274 0.859 -6.249 1.00 0.00 H new ATOM 0 HB VAL A 33 3.268 0.879 -9.117 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.429 -0.170 -9.686 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.641 1.470 -9.027 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.971 0.050 -8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.550 -1.571 -8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.014 -1.400 -7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.370 -0.964 -7.775 1.00 0.00 H new ATOM 220 N LYS A 34 3.454 3.561 -7.976 1.00 0.00 N ATOM 221 CA LYS A 34 3.816 4.961 -8.195 1.00 0.00 C ATOM 222 C LYS A 34 4.120 5.632 -6.864 1.00 0.00 C ATOM 223 O LYS A 34 5.115 6.343 -6.719 1.00 0.00 O ATOM 224 CB LYS A 34 2.678 5.700 -8.918 1.00 0.00 C ATOM 225 CG LYS A 34 2.851 7.219 -8.991 1.00 0.00 C ATOM 226 CD LYS A 34 2.231 7.938 -7.790 1.00 0.00 C ATOM 227 CE LYS A 34 0.717 7.799 -7.780 1.00 0.00 C ATOM 228 NZ LYS A 34 0.093 8.469 -8.953 1.00 0.00 N ATOM 0 H LYS A 34 2.548 3.295 -8.361 1.00 0.00 H new ATOM 0 HA LYS A 34 4.707 5.001 -8.822 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.594 5.308 -9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.739 5.478 -8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.913 7.458 -9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.394 7.590 -9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.641 7.528 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.501 8.994 -7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.449 6.742 -7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.319 8.229 -6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.928 8.577 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.523 9.406 -9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.247 7.893 -9.805 1.00 0.00 H new ATOM 242 N PHE A 35 3.242 5.388 -5.905 1.00 0.00 N ATOM 243 CA PHE A 35 3.375 5.941 -4.572 1.00 0.00 C ATOM 244 C PHE A 35 4.663 5.454 -3.911 1.00 0.00 C ATOM 245 O PHE A 35 5.483 6.252 -3.465 1.00 0.00 O ATOM 246 CB PHE A 35 2.164 5.537 -3.736 1.00 0.00 C ATOM 247 CG PHE A 35 2.159 6.142 -2.372 1.00 0.00 C ATOM 248 CD1 PHE A 35 1.678 7.421 -2.176 1.00 0.00 C ATOM 249 CD2 PHE A 35 2.630 5.429 -1.286 1.00 0.00 C ATOM 250 CE1 PHE A 35 1.667 7.982 -0.918 1.00 0.00 C ATOM 251 CE2 PHE A 35 2.624 5.980 -0.031 1.00 0.00 C ATOM 252 CZ PHE A 35 2.157 7.265 0.159 1.00 0.00 C ATOM 0 H PHE A 35 2.418 4.801 -6.031 1.00 0.00 H new ATOM 0 HA PHE A 35 3.422 7.028 -4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.255 5.832 -4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.141 4.451 -3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.307 7.987 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.007 4.427 -1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.277 8.979 -0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.985 5.408 0.811 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.174 7.709 1.144 1.00 0.00 H new ATOM 262 N LEU A 36 4.842 4.141 -3.901 1.00 0.00 N ATOM 263 CA LEU A 36 5.937 3.494 -3.191 1.00 0.00 C ATOM 264 C LEU A 36 7.298 3.996 -3.659 1.00 0.00 C ATOM 265 O LEU A 36 8.218 4.166 -2.859 1.00 0.00 O ATOM 266 CB LEU A 36 5.849 1.980 -3.378 1.00 0.00 C ATOM 267 CG LEU A 36 4.485 1.371 -3.042 1.00 0.00 C ATOM 268 CD1 LEU A 36 4.472 -0.120 -3.324 1.00 0.00 C ATOM 269 CD2 LEU A 36 4.110 1.649 -1.596 1.00 0.00 C ATOM 0 H LEU A 36 4.227 3.490 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 36 5.841 3.744 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.093 1.741 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.607 1.506 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 36 3.740 1.842 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.492 -0.528 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.681 -0.292 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.233 -0.612 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.137 1.207 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.860 1.214 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.063 2.726 -1.433 1.00 0.00 H new ATOM 281 N GLN A 37 7.420 4.245 -4.947 1.00 0.00 N ATOM 282 CA GLN A 37 8.686 4.681 -5.508 1.00 0.00 C ATOM 283 C GLN A 37 8.741 6.191 -5.655 1.00 0.00 C ATOM 284 O GLN A 37 9.348 6.712 -6.590 1.00 0.00 O ATOM 285 CB GLN A 37 8.927 4.004 -6.848 1.00 0.00 C ATOM 286 CG GLN A 37 9.173 2.515 -6.719 1.00 0.00 C ATOM 287 CD GLN A 37 9.199 1.819 -8.062 1.00 0.00 C ATOM 288 OE1 GLN A 37 8.519 2.228 -9.000 1.00 0.00 O ATOM 289 NE2 GLN A 37 9.992 0.767 -8.172 1.00 0.00 N ATOM 0 H GLN A 37 6.662 4.154 -5.624 1.00 0.00 H new ATOM 0 HA GLN A 37 9.477 4.390 -4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.065 4.170 -7.494 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.785 4.468 -7.335 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.121 2.349 -6.208 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.394 2.073 -6.098 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.542 0.457 -7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.054 0.266 -9.058 1.00 0.00 H new ATOM 298 N ASN A 38 8.118 6.900 -4.727 1.00 0.00 N ATOM 299 CA ASN A 38 8.192 8.352 -4.732 1.00 0.00 C ATOM 300 C ASN A 38 9.326 8.824 -3.825 1.00 0.00 C ATOM 301 O ASN A 38 9.270 9.912 -3.247 1.00 0.00 O ATOM 302 CB ASN A 38 6.861 8.976 -4.308 1.00 0.00 C ATOM 303 CG ASN A 38 6.788 10.450 -4.662 1.00 0.00 C ATOM 304 OD1 ASN A 38 7.412 10.902 -5.620 1.00 0.00 O ATOM 305 ND2 ASN A 38 6.026 11.208 -3.895 1.00 0.00 N ATOM 0 H ASN A 38 7.563 6.500 -3.970 1.00 0.00 H new ATOM 0 HA ASN A 38 8.400 8.680 -5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.041 8.446 -4.792 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.729 8.854 -3.233 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.940 12.206 -4.089 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.524 10.796 -3.109 1.00 0.00 H new ATOM 312 N SER A 39 10.346 7.973 -3.701 1.00 0.00 N ATOM 313 CA SER A 39 11.558 8.263 -2.933 1.00 0.00 C ATOM 314 C SER A 39 11.276 8.315 -1.427 1.00 0.00 C ATOM 315 O SER A 39 11.710 7.439 -0.677 1.00 0.00 O ATOM 316 CB SER A 39 12.204 9.571 -3.412 1.00 0.00 C ATOM 317 OG SER A 39 13.510 9.729 -2.883 1.00 0.00 O ATOM 0 H SER A 39 10.354 7.051 -4.137 1.00 0.00 H new ATOM 0 HA SER A 39 12.260 7.447 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.248 9.579 -4.501 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.584 10.416 -3.112 1.00 0.00 H new ATOM 0 HG SER A 39 13.895 10.570 -3.208 1.00 0.00 H new ATOM 323 N ARG A 40 10.517 9.321 -0.996 1.00 0.00 N ATOM 324 CA ARG A 40 10.251 9.536 0.426 1.00 0.00 C ATOM 325 C ARG A 40 9.444 8.384 1.019 1.00 0.00 C ATOM 326 O ARG A 40 9.485 8.149 2.219 1.00 0.00 O ATOM 327 CB ARG A 40 9.505 10.857 0.647 1.00 0.00 C ATOM 328 CG ARG A 40 10.263 12.083 0.162 1.00 0.00 C ATOM 329 CD ARG A 40 9.527 13.366 0.521 1.00 0.00 C ATOM 330 NE ARG A 40 10.158 14.550 -0.065 1.00 0.00 N ATOM 331 CZ ARG A 40 9.780 15.804 0.193 1.00 0.00 C ATOM 332 NH1 ARG A 40 8.839 16.050 1.098 1.00 0.00 N ATOM 333 NH2 ARG A 40 10.361 16.817 -0.443 1.00 0.00 N ATOM 0 H ARG A 40 10.074 10.002 -1.613 1.00 0.00 H new ATOM 0 HA ARG A 40 11.214 9.582 0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.544 10.810 0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.294 10.970 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.259 12.096 0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.396 12.027 -0.918 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.495 13.299 0.177 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.495 13.473 1.605 1.00 0.00 H new ATOM 0 HE ARG A 40 10.935 14.408 -0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.401 15.278 1.601 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.555 17.011 1.290 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.095 16.636 -1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.073 17.775 -0.246 1.00 0.00 H new ATOM 347 N VAL A 41 8.726 7.660 0.168 1.00 0.00 N ATOM 348 CA VAL A 41 7.892 6.547 0.617 1.00 0.00 C ATOM 349 C VAL A 41 8.733 5.379 1.119 1.00 0.00 C ATOM 350 O VAL A 41 8.340 4.678 2.054 1.00 0.00 O ATOM 351 CB VAL A 41 6.938 6.081 -0.504 1.00 0.00 C ATOM 352 CG1 VAL A 41 6.305 4.742 -0.177 1.00 0.00 C ATOM 353 CG2 VAL A 41 5.853 7.115 -0.698 1.00 0.00 C ATOM 0 H VAL A 41 8.703 7.823 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 41 7.293 6.911 1.452 1.00 0.00 H new ATOM 0 HB VAL A 41 7.520 5.965 -1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.640 4.446 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.085 3.991 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.734 4.826 0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.177 6.789 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.294 7.235 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.304 8.068 -0.975 1.00 0.00 H new ATOM 363 N ARG A 42 9.898 5.187 0.519 1.00 0.00 N ATOM 364 CA ARG A 42 10.790 4.116 0.930 1.00 0.00 C ATOM 365 C ARG A 42 11.586 4.524 2.165 1.00 0.00 C ATOM 366 O ARG A 42 12.138 3.682 2.870 1.00 0.00 O ATOM 367 CB ARG A 42 11.716 3.721 -0.215 1.00 0.00 C ATOM 368 CG ARG A 42 10.967 3.085 -1.371 1.00 0.00 C ATOM 369 CD ARG A 42 11.904 2.570 -2.445 1.00 0.00 C ATOM 370 NE ARG A 42 12.842 1.568 -1.935 1.00 0.00 N ATOM 371 CZ ARG A 42 13.386 0.604 -2.680 1.00 0.00 C ATOM 372 NH1 ARG A 42 13.131 0.532 -3.982 1.00 0.00 N ATOM 373 NH2 ARG A 42 14.210 -0.274 -2.125 1.00 0.00 N ATOM 0 H ARG A 42 10.246 5.757 -0.252 1.00 0.00 H new ATOM 0 HA ARG A 42 10.188 3.246 1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 42 12.246 4.604 -0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 42 12.469 3.024 0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.357 2.262 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.285 3.816 -1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 42 11.319 2.136 -3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.463 3.405 -2.867 1.00 0.00 H new ATOM 0 HE ARG A 42 13.096 1.610 -0.948 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.515 1.217 -4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.551 -0.208 -4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 42 14.427 -0.212 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.627 -1.012 -2.693 1.00 0.00 H new ATOM 387 N GLN A 43 11.637 5.827 2.419 1.00 0.00 N ATOM 388 CA GLN A 43 12.249 6.342 3.637 1.00 0.00 C ATOM 389 C GLN A 43 11.212 6.366 4.756 1.00 0.00 C ATOM 390 O GLN A 43 11.524 6.130 5.922 1.00 0.00 O ATOM 391 CB GLN A 43 12.803 7.751 3.414 1.00 0.00 C ATOM 392 CG GLN A 43 13.773 7.857 2.247 1.00 0.00 C ATOM 393 CD GLN A 43 14.408 9.232 2.127 1.00 0.00 C ATOM 394 OE1 GLN A 43 13.711 10.261 2.590 1.00 0.00 O flip ATOM 395 NE2 GLN A 43 15.529 9.368 1.635 1.00 0.00 N flip ATOM 0 H GLN A 43 11.262 6.544 1.798 1.00 0.00 H new ATOM 0 HA GLN A 43 13.076 5.688 3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.971 8.435 3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.307 8.080 4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.557 7.109 2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.246 7.624 1.322 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.036 8.554 1.289 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.950 10.295 1.574 1.00 0.00 H new ATOM 404 N SER A 44 9.978 6.658 4.374 1.00 0.00 N ATOM 405 CA SER A 44 8.851 6.660 5.291 1.00 0.00 C ATOM 406 C SER A 44 8.590 5.244 5.812 1.00 0.00 C ATOM 407 O SER A 44 8.564 4.284 5.040 1.00 0.00 O ATOM 408 CB SER A 44 7.613 7.218 4.576 1.00 0.00 C ATOM 409 OG SER A 44 6.485 7.264 5.435 1.00 0.00 O ATOM 0 H SER A 44 9.730 6.901 3.415 1.00 0.00 H new ATOM 0 HA SER A 44 9.079 7.296 6.146 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.828 8.220 4.205 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.384 6.599 3.708 1.00 0.00 H new ATOM 0 HG SER A 44 5.716 7.626 4.947 1.00 0.00 H new ATOM 415 N PRO A 45 8.399 5.119 7.141 1.00 0.00 N ATOM 416 CA PRO A 45 8.258 3.833 7.838 1.00 0.00 C ATOM 417 C PRO A 45 7.367 2.822 7.117 1.00 0.00 C ATOM 418 O PRO A 45 6.219 3.110 6.754 1.00 0.00 O ATOM 419 CB PRO A 45 7.629 4.235 9.168 1.00 0.00 C ATOM 420 CG PRO A 45 8.165 5.596 9.428 1.00 0.00 C ATOM 421 CD PRO A 45 8.306 6.254 8.082 1.00 0.00 C ATOM 0 HA PRO A 45 9.218 3.323 7.917 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.541 4.240 9.108 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.901 3.541 9.963 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.492 6.164 10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.126 5.545 9.939 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.451 6.891 7.857 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.194 6.885 8.036 1.00 0.00 H new ATOM 429 N LEU A 46 7.909 1.623 6.937 1.00 0.00 N ATOM 430 CA LEU A 46 7.182 0.532 6.305 1.00 0.00 C ATOM 431 C LEU A 46 5.988 0.134 7.167 1.00 0.00 C ATOM 432 O LEU A 46 5.044 -0.488 6.683 1.00 0.00 O ATOM 433 CB LEU A 46 8.089 -0.688 6.059 1.00 0.00 C ATOM 434 CG LEU A 46 9.283 -0.467 5.111 1.00 0.00 C ATOM 435 CD1 LEU A 46 10.331 0.447 5.729 1.00 0.00 C ATOM 436 CD2 LEU A 46 9.912 -1.799 4.743 1.00 0.00 C ATOM 0 H LEU A 46 8.858 1.382 7.223 1.00 0.00 H new ATOM 0 HA LEU A 46 6.829 0.883 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.473 -1.029 7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.477 -1.495 5.656 1.00 0.00 H new ATOM 0 HG LEU A 46 8.904 0.018 4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.157 0.578 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.884 1.417 5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.704 0.002 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.755 -1.631 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.261 -2.298 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.172 -2.426 4.245 1.00 0.00 H new ATOM 448 N ALA A 47 6.046 0.497 8.446 1.00 0.00 N ATOM 449 CA ALA A 47 4.923 0.309 9.357 1.00 0.00 C ATOM 450 C ALA A 47 3.670 0.979 8.803 1.00 0.00 C ATOM 451 O ALA A 47 2.582 0.404 8.827 1.00 0.00 O ATOM 452 CB ALA A 47 5.258 0.875 10.727 1.00 0.00 C ATOM 0 H ALA A 47 6.866 0.926 8.876 1.00 0.00 H new ATOM 0 HA ALA A 47 4.731 -0.759 9.455 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.412 0.729 11.398 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.132 0.363 11.128 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.471 1.940 10.638 1.00 0.00 H new ATOM 458 N THR A 48 3.840 2.199 8.299 1.00 0.00 N ATOM 459 CA THR A 48 2.760 2.910 7.640 1.00 0.00 C ATOM 460 C THR A 48 2.395 2.206 6.344 1.00 0.00 C ATOM 461 O THR A 48 1.222 2.047 6.028 1.00 0.00 O ATOM 462 CB THR A 48 3.153 4.370 7.319 1.00 0.00 C ATOM 463 OG1 THR A 48 3.582 5.037 8.513 1.00 0.00 O ATOM 464 CG2 THR A 48 1.984 5.131 6.693 1.00 0.00 C ATOM 0 H THR A 48 4.720 2.713 8.337 1.00 0.00 H new ATOM 0 HA THR A 48 1.909 2.920 8.321 1.00 0.00 H new ATOM 0 HB THR A 48 3.972 4.349 6.600 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.831 5.961 8.300 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.290 6.155 6.478 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.684 4.640 5.767 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.143 5.142 7.387 1.00 0.00 H new ATOM 472 N ARG A 49 3.419 1.753 5.622 1.00 0.00 N ATOM 473 CA ARG A 49 3.237 1.161 4.295 1.00 0.00 C ATOM 474 C ARG A 49 2.199 0.037 4.292 1.00 0.00 C ATOM 475 O ARG A 49 1.304 0.030 3.449 1.00 0.00 O ATOM 476 CB ARG A 49 4.563 0.620 3.757 1.00 0.00 C ATOM 477 CG ARG A 49 5.624 1.677 3.471 1.00 0.00 C ATOM 478 CD ARG A 49 5.212 2.632 2.357 1.00 0.00 C ATOM 479 NE ARG A 49 4.209 3.599 2.793 1.00 0.00 N ATOM 480 CZ ARG A 49 4.489 4.690 3.503 1.00 0.00 C ATOM 481 NH1 ARG A 49 5.736 4.953 3.873 1.00 0.00 N ATOM 482 NH2 ARG A 49 3.519 5.522 3.844 1.00 0.00 N ATOM 0 H ARG A 49 4.389 1.785 5.935 1.00 0.00 H new ATOM 0 HA ARG A 49 2.872 1.960 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.966 -0.092 4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.366 0.067 2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.819 2.247 4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.557 1.185 3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.092 3.164 1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.818 2.058 1.518 1.00 0.00 H new ATOM 0 HE ARG A 49 3.236 3.429 2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.490 4.317 3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.941 5.791 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.558 5.327 3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.732 6.358 4.388 1.00 0.00 H new ATOM 496 N ARG A 50 2.310 -0.902 5.230 1.00 0.00 N ATOM 497 CA ARG A 50 1.411 -2.061 5.253 1.00 0.00 C ATOM 498 C ARG A 50 -0.051 -1.637 5.367 1.00 0.00 C ATOM 499 O ARG A 50 -0.857 -1.905 4.468 1.00 0.00 O ATOM 500 CB ARG A 50 1.751 -3.022 6.395 1.00 0.00 C ATOM 501 CG ARG A 50 2.891 -3.982 6.089 1.00 0.00 C ATOM 502 CD ARG A 50 4.251 -3.344 6.306 1.00 0.00 C ATOM 503 NE ARG A 50 5.343 -4.303 6.127 1.00 0.00 N ATOM 504 CZ ARG A 50 5.764 -5.140 7.080 1.00 0.00 C ATOM 505 NH1 ARG A 50 5.151 -5.177 8.257 1.00 0.00 N ATOM 506 NH2 ARG A 50 6.782 -5.957 6.849 1.00 0.00 N ATOM 0 H ARG A 50 3.004 -0.887 5.977 1.00 0.00 H new ATOM 0 HA ARG A 50 1.556 -2.579 4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.010 -2.439 7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.861 -3.601 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.800 -4.865 6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.811 -4.321 5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.378 -2.516 5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.298 -2.925 7.311 1.00 0.00 H new ATOM 0 HE ARG A 50 5.810 -4.334 5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.355 -4.565 8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.476 -5.817 8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.247 -5.948 5.941 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.100 -6.594 7.579 1.00 0.00 H new ATOM 520 N ALA A 51 -0.382 -0.962 6.460 1.00 0.00 N ATOM 521 CA ALA A 51 -1.750 -0.528 6.708 1.00 0.00 C ATOM 522 C ALA A 51 -2.222 0.418 5.616 1.00 0.00 C ATOM 523 O ALA A 51 -3.343 0.303 5.129 1.00 0.00 O ATOM 524 CB ALA A 51 -1.854 0.137 8.071 1.00 0.00 C ATOM 0 H ALA A 51 0.281 -0.703 7.191 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.396 -1.406 6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.882 0.456 8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.560 -0.572 8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.195 1.004 8.104 1.00 0.00 H new ATOM 530 N PHE A 52 -1.343 1.329 5.218 1.00 0.00 N ATOM 531 CA PHE A 52 -1.657 2.329 4.206 1.00 0.00 C ATOM 532 C PHE A 52 -2.232 1.705 2.934 1.00 0.00 C ATOM 533 O PHE A 52 -3.349 2.037 2.531 1.00 0.00 O ATOM 534 CB PHE A 52 -0.410 3.149 3.885 1.00 0.00 C ATOM 535 CG PHE A 52 -0.578 4.015 2.693 1.00 0.00 C ATOM 536 CD1 PHE A 52 0.072 3.709 1.517 1.00 0.00 C ATOM 537 CD2 PHE A 52 -1.393 5.126 2.744 1.00 0.00 C ATOM 538 CE1 PHE A 52 -0.080 4.502 0.410 1.00 0.00 C ATOM 539 CE2 PHE A 52 -1.553 5.921 1.640 1.00 0.00 C ATOM 540 CZ PHE A 52 -0.894 5.609 0.469 1.00 0.00 C ATOM 0 H PHE A 52 -0.394 1.395 5.587 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.427 2.983 4.614 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.158 3.769 4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.430 2.474 3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.707 2.837 1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.909 5.371 3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.438 4.259 -0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.193 6.790 1.686 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.017 6.235 -0.403 1.00 0.00 H new ATOM 550 N LEU A 53 -1.480 0.801 2.309 1.00 0.00 N ATOM 551 CA LEU A 53 -1.920 0.191 1.054 1.00 0.00 C ATOM 552 C LEU A 53 -3.233 -0.566 1.238 1.00 0.00 C ATOM 553 O LEU A 53 -4.159 -0.419 0.438 1.00 0.00 O ATOM 554 CB LEU A 53 -0.852 -0.754 0.475 1.00 0.00 C ATOM 555 CG LEU A 53 0.235 -0.092 -0.381 1.00 0.00 C ATOM 556 CD1 LEU A 53 1.233 0.661 0.480 1.00 0.00 C ATOM 557 CD2 LEU A 53 0.940 -1.137 -1.231 1.00 0.00 C ATOM 0 H LEU A 53 -0.573 0.477 2.645 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.078 1.005 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.369 -1.275 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.353 -1.510 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.245 0.632 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.990 1.119 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.715 1.437 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.711 -0.032 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.710 -0.656 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.400 -1.883 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.216 -1.622 -1.886 1.00 0.00 H new ATOM 569 N LYS A 54 -3.324 -1.341 2.311 1.00 0.00 N ATOM 570 CA LYS A 54 -4.485 -2.196 2.542 1.00 0.00 C ATOM 571 C LYS A 54 -5.735 -1.377 2.819 1.00 0.00 C ATOM 572 O LYS A 54 -6.849 -1.792 2.501 1.00 0.00 O ATOM 573 CB LYS A 54 -4.205 -3.141 3.704 1.00 0.00 C ATOM 574 CG LYS A 54 -2.979 -3.994 3.464 1.00 0.00 C ATOM 575 CD LYS A 54 -2.753 -5.017 4.559 1.00 0.00 C ATOM 576 CE LYS A 54 -1.494 -5.825 4.290 1.00 0.00 C ATOM 577 NZ LYS A 54 -1.283 -6.878 5.315 1.00 0.00 N ATOM 0 H LYS A 54 -2.609 -1.396 3.036 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.665 -2.776 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.069 -2.561 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.069 -3.786 3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.081 -4.508 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.103 -3.350 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.669 -4.513 5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.612 -5.684 4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.562 -6.286 3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.632 -5.158 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.846 -7.711 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.658 -6.515 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.198 -7.147 5.730 1.00 0.00 H new ATOM 591 N LYS A 55 -5.545 -0.217 3.421 1.00 0.00 N ATOM 592 CA LYS A 55 -6.652 0.664 3.743 1.00 0.00 C ATOM 593 C LYS A 55 -7.124 1.436 2.522 1.00 0.00 C ATOM 594 O LYS A 55 -8.262 1.897 2.477 1.00 0.00 O ATOM 595 CB LYS A 55 -6.258 1.599 4.878 1.00 0.00 C ATOM 596 CG LYS A 55 -6.072 0.844 6.184 1.00 0.00 C ATOM 597 CD LYS A 55 -7.401 0.317 6.705 1.00 0.00 C ATOM 598 CE LYS A 55 -7.218 -0.665 7.851 1.00 0.00 C ATOM 599 NZ LYS A 55 -6.638 -1.954 7.392 1.00 0.00 N ATOM 0 H LYS A 55 -4.630 0.138 3.698 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.493 0.055 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.333 2.116 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.025 2.363 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.382 0.014 6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.621 1.502 6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.016 1.153 7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.940 -0.171 5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.568 -0.224 8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.181 -0.850 8.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.732 -2.665 8.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.144 -2.280 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.632 -1.821 7.165 1.00 0.00 H new ATOM 613 N LYS A 56 -6.251 1.584 1.535 1.00 0.00 N ATOM 614 CA LYS A 56 -6.639 2.227 0.289 1.00 0.00 C ATOM 615 C LYS A 56 -7.509 1.295 -0.547 1.00 0.00 C ATOM 616 O LYS A 56 -8.499 1.725 -1.140 1.00 0.00 O ATOM 617 CB LYS A 56 -5.420 2.672 -0.518 1.00 0.00 C ATOM 618 CG LYS A 56 -5.081 4.153 -0.370 1.00 0.00 C ATOM 619 CD LYS A 56 -4.442 4.486 0.970 1.00 0.00 C ATOM 620 CE LYS A 56 -5.464 4.681 2.080 1.00 0.00 C ATOM 621 NZ LYS A 56 -6.279 5.908 1.888 1.00 0.00 N ATOM 0 H LYS A 56 -5.281 1.271 1.572 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.215 3.116 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.558 2.080 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.596 2.454 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.404 4.447 -1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.991 4.742 -0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.757 3.685 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.846 5.393 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.122 3.813 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.949 4.736 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.747 6.157 2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.663 6.691 1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.999 5.736 1.157 1.00 0.00 H new ATOM 635 N GLY A 57 -7.142 0.019 -0.587 1.00 0.00 N ATOM 636 CA GLY A 57 -7.962 -0.954 -1.283 1.00 0.00 C ATOM 637 C GLY A 57 -7.165 -2.085 -1.902 1.00 0.00 C ATOM 638 O GLY A 57 -7.058 -2.175 -3.123 1.00 0.00 O ATOM 0 H GLY A 57 -6.298 -0.357 -0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.688 -1.371 -0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.527 -0.448 -2.066 1.00 0.00 H new ATOM 642 N LEU A 58 -6.605 -2.948 -1.066 1.00 0.00 N ATOM 643 CA LEU A 58 -5.916 -4.139 -1.545 1.00 0.00 C ATOM 644 C LEU A 58 -5.675 -5.109 -0.401 1.00 0.00 C ATOM 645 O LEU A 58 -5.553 -4.704 0.755 1.00 0.00 O ATOM 646 CB LEU A 58 -4.595 -3.776 -2.247 1.00 0.00 C ATOM 647 CG LEU A 58 -3.651 -2.840 -1.490 1.00 0.00 C ATOM 648 CD1 LEU A 58 -2.839 -3.603 -0.455 1.00 0.00 C ATOM 649 CD2 LEU A 58 -2.737 -2.110 -2.467 1.00 0.00 C ATOM 0 H LEU A 58 -6.614 -2.846 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.555 -4.627 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.058 -4.700 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.834 -3.316 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.252 -2.101 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.177 -2.913 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.513 -4.073 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.245 -4.370 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.070 -1.447 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.146 -2.837 -3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.340 -1.523 -3.160 1.00 0.00 H new ATOM 661 N THR A 59 -5.631 -6.389 -0.724 1.00 0.00 N ATOM 662 CA THR A 59 -5.396 -7.419 0.264 1.00 0.00 C ATOM 663 C THR A 59 -3.901 -7.706 0.403 1.00 0.00 C ATOM 664 O THR A 59 -3.086 -7.104 -0.302 1.00 0.00 O ATOM 665 CB THR A 59 -6.144 -8.714 -0.102 1.00 0.00 C ATOM 666 OG1 THR A 59 -5.921 -9.022 -1.481 1.00 0.00 O ATOM 667 CG2 THR A 59 -7.640 -8.583 0.154 1.00 0.00 C ATOM 0 H THR A 59 -5.757 -6.739 -1.674 1.00 0.00 H new ATOM 0 HA THR A 59 -5.775 -7.055 1.219 1.00 0.00 H new ATOM 0 HB THR A 59 -5.760 -9.517 0.528 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.396 -9.847 -1.713 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.138 -9.515 -0.115 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.811 -8.371 1.209 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.042 -7.769 -0.449 1.00 0.00 H new ATOM 675 N ASP A 60 -3.546 -8.609 1.308 1.00 0.00 N ATOM 676 CA ASP A 60 -2.141 -8.944 1.552 1.00 0.00 C ATOM 677 C ASP A 60 -1.427 -9.376 0.275 1.00 0.00 C ATOM 678 O ASP A 60 -0.280 -8.994 0.035 1.00 0.00 O ATOM 679 CB ASP A 60 -2.022 -10.041 2.611 1.00 0.00 C ATOM 680 CG ASP A 60 -2.158 -9.498 4.019 1.00 0.00 C ATOM 681 OD1 ASP A 60 -3.256 -9.024 4.382 1.00 0.00 O ATOM 682 OD2 ASP A 60 -1.162 -9.523 4.770 1.00 0.00 O ATOM 0 H ASP A 60 -4.208 -9.125 1.887 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.656 -8.039 1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.791 -10.794 2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.058 -10.540 2.508 1.00 0.00 H new ATOM 687 N GLU A 61 -2.111 -10.146 -0.551 1.00 0.00 N ATOM 688 CA GLU A 61 -1.534 -10.619 -1.802 1.00 0.00 C ATOM 689 C GLU A 61 -1.245 -9.449 -2.746 1.00 0.00 C ATOM 690 O GLU A 61 -0.248 -9.447 -3.465 1.00 0.00 O ATOM 691 CB GLU A 61 -2.473 -11.634 -2.464 1.00 0.00 C ATOM 692 CG GLU A 61 -3.874 -11.099 -2.709 1.00 0.00 C ATOM 693 CD GLU A 61 -4.838 -12.173 -3.163 1.00 0.00 C ATOM 694 OE1 GLU A 61 -5.547 -12.738 -2.305 1.00 0.00 O ATOM 695 OE2 GLU A 61 -4.894 -12.460 -4.374 1.00 0.00 O ATOM 0 H GLU A 61 -3.067 -10.459 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.587 -11.112 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.042 -11.948 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.537 -12.521 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.250 -10.643 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.832 -10.313 -3.462 1.00 0.00 H new ATOM 702 N GLU A 62 -2.102 -8.443 -2.723 1.00 0.00 N ATOM 703 CA GLU A 62 -1.962 -7.309 -3.620 1.00 0.00 C ATOM 704 C GLU A 62 -0.911 -6.322 -3.123 1.00 0.00 C ATOM 705 O GLU A 62 -0.278 -5.631 -3.923 1.00 0.00 O ATOM 706 CB GLU A 62 -3.305 -6.611 -3.812 1.00 0.00 C ATOM 707 CG GLU A 62 -4.333 -7.476 -4.522 1.00 0.00 C ATOM 708 CD GLU A 62 -3.895 -7.887 -5.915 1.00 0.00 C ATOM 709 OE1 GLU A 62 -3.252 -8.948 -6.054 1.00 0.00 O ATOM 710 OE2 GLU A 62 -4.181 -7.147 -6.876 1.00 0.00 O ATOM 0 H GLU A 62 -2.902 -8.388 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.623 -7.691 -4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.697 -6.317 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.153 -5.695 -4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.522 -8.370 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.275 -6.932 -4.588 1.00 0.00 H new ATOM 717 N ILE A 63 -0.714 -6.241 -1.812 1.00 0.00 N ATOM 718 CA ILE A 63 0.287 -5.329 -1.281 1.00 0.00 C ATOM 719 C ILE A 63 1.700 -5.813 -1.607 1.00 0.00 C ATOM 720 O ILE A 63 2.569 -4.998 -1.910 1.00 0.00 O ATOM 721 CB ILE A 63 0.126 -5.042 0.231 1.00 0.00 C ATOM 722 CG1 ILE A 63 1.243 -4.114 0.719 1.00 0.00 C ATOM 723 CG2 ILE A 63 0.093 -6.320 1.040 1.00 0.00 C ATOM 724 CD1 ILE A 63 1.121 -3.716 2.171 1.00 0.00 C ATOM 0 H ILE A 63 -1.222 -6.783 -1.113 1.00 0.00 H new ATOM 0 HA ILE A 63 0.121 -4.376 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.831 -4.541 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.203 -4.607 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.247 -3.213 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.021 -6.079 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.747 -6.935 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.023 -6.869 0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.949 -3.059 2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.178 -3.193 2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.149 -4.608 2.796 1.00 0.00 H new ATOM 736 N ASP A 64 1.947 -7.128 -1.582 1.00 0.00 N ATOM 737 CA ASP A 64 3.241 -7.619 -2.063 1.00 0.00 C ATOM 738 C ASP A 64 3.266 -7.627 -3.571 1.00 0.00 C ATOM 739 O ASP A 64 4.325 -7.668 -4.166 1.00 0.00 O ATOM 740 CB ASP A 64 3.647 -9.007 -1.547 1.00 0.00 C ATOM 741 CG ASP A 64 2.709 -10.128 -1.953 1.00 0.00 C ATOM 742 OD1 ASP A 64 2.856 -10.656 -3.072 1.00 0.00 O ATOM 743 OD2 ASP A 64 1.795 -10.459 -1.165 1.00 0.00 O ATOM 0 H ASP A 64 1.300 -7.843 -1.250 1.00 0.00 H new ATOM 0 HA ASP A 64 3.973 -6.921 -1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.648 -9.238 -1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.704 -8.974 -0.459 1.00 0.00 H new ATOM 748 N MET A 65 2.106 -7.596 -4.198 1.00 0.00 N ATOM 749 CA MET A 65 2.068 -7.424 -5.637 1.00 0.00 C ATOM 750 C MET A 65 2.688 -6.075 -5.983 1.00 0.00 C ATOM 751 O MET A 65 3.543 -5.975 -6.858 1.00 0.00 O ATOM 752 CB MET A 65 0.636 -7.514 -6.177 1.00 0.00 C ATOM 753 CG MET A 65 0.541 -7.493 -7.698 1.00 0.00 C ATOM 754 SD MET A 65 0.998 -9.066 -8.473 1.00 0.00 S ATOM 755 CE MET A 65 2.748 -9.184 -8.095 1.00 0.00 C ATOM 0 H MET A 65 1.196 -7.685 -3.746 1.00 0.00 H new ATOM 0 HA MET A 65 2.637 -8.227 -6.106 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.177 -8.431 -5.808 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.055 -6.683 -5.776 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.478 -7.237 -7.987 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.188 -6.705 -8.084 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.248 -9.769 -8.867 1.00 0.00 H new ATOM 0 HE2 MET A 65 3.181 -8.184 -8.059 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.879 -9.671 -7.129 1.00 0.00 H new ATOM 765 N ALA A 66 2.282 -5.052 -5.243 1.00 0.00 N ATOM 766 CA ALA A 66 2.801 -3.708 -5.439 1.00 0.00 C ATOM 767 C ALA A 66 4.232 -3.575 -4.909 1.00 0.00 C ATOM 768 O ALA A 66 5.107 -3.029 -5.585 1.00 0.00 O ATOM 769 CB ALA A 66 1.885 -2.692 -4.770 1.00 0.00 C ATOM 0 H ALA A 66 1.590 -5.130 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 66 2.829 -3.510 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.282 -1.688 -4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.888 -2.758 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.828 -2.901 -3.702 1.00 0.00 H new ATOM 775 N PHE A 67 4.475 -4.078 -3.702 1.00 0.00 N ATOM 776 CA PHE A 67 5.787 -3.945 -3.072 1.00 0.00 C ATOM 777 C PHE A 67 6.847 -4.815 -3.745 1.00 0.00 C ATOM 778 O PHE A 67 7.972 -4.365 -3.953 1.00 0.00 O ATOM 779 CB PHE A 67 5.720 -4.249 -1.569 1.00 0.00 C ATOM 780 CG PHE A 67 5.548 -3.013 -0.729 1.00 0.00 C ATOM 781 CD1 PHE A 67 6.248 -1.864 -1.048 1.00 0.00 C ATOM 782 CD2 PHE A 67 4.694 -2.989 0.368 1.00 0.00 C ATOM 783 CE1 PHE A 67 6.105 -0.718 -0.306 1.00 0.00 C ATOM 784 CE2 PHE A 67 4.549 -1.839 1.118 1.00 0.00 C ATOM 785 CZ PHE A 67 5.256 -0.701 0.776 1.00 0.00 C ATOM 0 H PHE A 67 3.785 -4.579 -3.142 1.00 0.00 H new ATOM 0 HA PHE A 67 6.087 -2.905 -3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.891 -4.930 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.632 -4.764 -1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.918 -1.868 -1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.140 -3.877 0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.659 0.170 -0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.885 -1.828 1.970 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.142 0.201 1.358 1.00 0.00 H new ATOM 795 N GLN A 68 6.502 -6.045 -4.101 1.00 0.00 N ATOM 796 CA GLN A 68 7.471 -6.927 -4.735 1.00 0.00 C ATOM 797 C GLN A 68 7.822 -6.403 -6.122 1.00 0.00 C ATOM 798 O GLN A 68 8.988 -6.399 -6.520 1.00 0.00 O ATOM 799 CB GLN A 68 6.956 -8.356 -4.865 1.00 0.00 C ATOM 800 CG GLN A 68 8.015 -9.327 -5.369 1.00 0.00 C ATOM 801 CD GLN A 68 7.498 -10.739 -5.542 1.00 0.00 C ATOM 802 OE1 GLN A 68 6.537 -11.121 -4.723 1.00 0.00 O flip ATOM 803 NE2 GLN A 68 7.964 -11.480 -6.406 1.00 0.00 N flip ATOM 0 H GLN A 68 5.575 -6.449 -3.965 1.00 0.00 H new ATOM 0 HA GLN A 68 8.354 -6.941 -4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.593 -8.695 -3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.105 -8.369 -5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.401 -8.969 -6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.851 -9.337 -4.670 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.707 -11.144 -7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.607 -12.430 -6.510 1.00 0.00 H new ATOM 812 N GLN A 69 6.796 -5.959 -6.853 1.00 0.00 N ATOM 813 CA GLN A 69 6.985 -5.445 -8.205 1.00 0.00 C ATOM 814 C GLN A 69 7.898 -4.224 -8.200 1.00 0.00 C ATOM 815 O GLN A 69 8.755 -4.074 -9.073 1.00 0.00 O ATOM 816 CB GLN A 69 5.640 -5.082 -8.837 1.00 0.00 C ATOM 817 CG GLN A 69 5.750 -4.620 -10.281 1.00 0.00 C ATOM 818 CD GLN A 69 4.420 -4.184 -10.861 1.00 0.00 C ATOM 819 OE1 GLN A 69 3.366 -4.700 -10.496 1.00 0.00 O ATOM 820 NE2 GLN A 69 4.461 -3.217 -11.763 1.00 0.00 N ATOM 0 H GLN A 69 5.829 -5.947 -6.529 1.00 0.00 H new ATOM 0 HA GLN A 69 7.455 -6.230 -8.797 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.981 -5.949 -8.791 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.172 -4.294 -8.247 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.456 -3.792 -10.340 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.157 -5.430 -10.887 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.357 -2.815 -12.039 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.597 -2.874 -12.182 1.00 0.00 H new ATOM 829 N SER A 70 7.729 -3.364 -7.202 1.00 0.00 N ATOM 830 CA SER A 70 8.539 -2.158 -7.095 1.00 0.00 C ATOM 831 C SER A 70 9.956 -2.483 -6.619 1.00 0.00 C ATOM 832 O SER A 70 10.830 -1.612 -6.591 1.00 0.00 O ATOM 833 CB SER A 70 7.865 -1.153 -6.152 1.00 0.00 C ATOM 834 OG SER A 70 7.522 -1.755 -4.915 1.00 0.00 O ATOM 0 H SER A 70 7.041 -3.479 -6.458 1.00 0.00 H new ATOM 0 HA SER A 70 8.619 -1.710 -8.086 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.535 -0.311 -5.976 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.968 -0.753 -6.625 1.00 0.00 H new ATOM 0 HG SER A 70 6.654 -2.202 -4.998 1.00 0.00 H new ATOM 840 N GLY A 71 10.180 -3.741 -6.249 1.00 0.00 N ATOM 841 CA GLY A 71 11.495 -4.168 -5.810 1.00 0.00 C ATOM 842 C GLY A 71 11.721 -3.880 -4.341 1.00 0.00 C ATOM 843 O GLY A 71 12.828 -4.042 -3.826 1.00 0.00 O ATOM 0 H GLY A 71 9.471 -4.474 -6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.609 -5.237 -5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.258 -3.661 -6.401 1.00 0.00 H new ATOM 847 N THR A 72 10.662 -3.462 -3.668 1.00 0.00 N ATOM 848 CA THR A 72 10.739 -3.090 -2.268 1.00 0.00 C ATOM 849 C THR A 72 10.581 -4.316 -1.374 1.00 0.00 C ATOM 850 O THR A 72 9.463 -4.755 -1.093 1.00 0.00 O ATOM 851 CB THR A 72 9.648 -2.064 -1.916 1.00 0.00 C ATOM 852 OG1 THR A 72 9.517 -1.108 -2.979 1.00 0.00 O ATOM 853 CG2 THR A 72 9.977 -1.340 -0.615 1.00 0.00 C ATOM 0 H THR A 72 9.731 -3.372 -4.075 1.00 0.00 H new ATOM 0 HA THR A 72 11.719 -2.645 -2.098 1.00 0.00 H new ATOM 0 HB THR A 72 8.707 -2.599 -1.785 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.806 -1.394 -3.590 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.190 -0.621 -0.390 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.050 -2.064 0.196 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.927 -0.817 -0.720 1.00 0.00 H new ATOM 861 N ALA A 73 11.705 -4.876 -0.945 1.00 0.00 N ATOM 862 CA ALA A 73 11.691 -6.015 -0.041 1.00 0.00 C ATOM 863 C ALA A 73 11.330 -5.559 1.368 1.00 0.00 C ATOM 864 O ALA A 73 12.202 -5.344 2.213 1.00 0.00 O ATOM 865 CB ALA A 73 13.035 -6.731 -0.057 1.00 0.00 C ATOM 0 H ALA A 73 12.637 -4.559 -1.210 1.00 0.00 H new ATOM 0 HA ALA A 73 10.934 -6.723 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.003 -7.580 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.247 -7.085 -1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 73 13.818 -6.041 0.258 1.00 0.00 H new ATOM 871 N ALA A 74 10.038 -5.397 1.606 1.00 0.00 N ATOM 872 CA ALA A 74 9.541 -4.914 2.884 1.00 0.00 C ATOM 873 C ALA A 74 9.188 -6.070 3.811 1.00 0.00 C ATOM 874 O ALA A 74 8.144 -6.044 4.472 1.00 0.00 O ATOM 875 CB ALA A 74 8.323 -4.025 2.662 1.00 0.00 C ATOM 0 H ALA A 74 9.308 -5.596 0.922 1.00 0.00 H new ATOM 0 HA ALA A 74 10.330 -4.332 3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.955 -3.666 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.602 -3.175 2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.540 -4.598 2.165 1.00 0.00 H new ATOM 881 N ASP A 75 10.072 -7.069 3.866 1.00 0.00 N ATOM 882 CA ASP A 75 9.820 -8.296 4.624 1.00 0.00 C ATOM 883 C ASP A 75 8.536 -8.933 4.090 1.00 0.00 C ATOM 884 O ASP A 75 8.309 -8.921 2.877 1.00 0.00 O ATOM 885 CB ASP A 75 9.724 -7.983 6.128 1.00 0.00 C ATOM 886 CG ASP A 75 9.880 -9.210 7.004 1.00 0.00 C ATOM 887 OD1 ASP A 75 11.027 -9.647 7.222 1.00 0.00 O ATOM 888 OD2 ASP A 75 8.852 -9.755 7.463 1.00 0.00 O ATOM 0 H ASP A 75 10.974 -7.051 3.391 1.00 0.00 H new ATOM 0 HA ASP A 75 10.642 -9.000 4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.493 -7.256 6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.761 -7.517 6.335 1.00 0.00 H new ATOM 893 N GLU A 76 7.700 -9.490 4.951 1.00 0.00 N ATOM 894 CA GLU A 76 6.370 -9.879 4.518 1.00 0.00 C ATOM 895 C GLU A 76 5.394 -8.756 4.860 1.00 0.00 C ATOM 896 O GLU A 76 5.356 -8.283 5.995 1.00 0.00 O ATOM 897 CB GLU A 76 5.924 -11.210 5.136 1.00 0.00 C ATOM 898 CG GLU A 76 5.813 -11.203 6.651 1.00 0.00 C ATOM 899 CD GLU A 76 5.125 -12.445 7.174 1.00 0.00 C ATOM 900 OE1 GLU A 76 5.823 -13.439 7.464 1.00 0.00 O ATOM 901 OE2 GLU A 76 3.886 -12.430 7.314 1.00 0.00 O ATOM 0 H GLU A 76 7.912 -9.679 5.931 1.00 0.00 H new ATOM 0 HA GLU A 76 6.386 -10.037 3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.956 -11.483 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.630 -11.986 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.809 -11.129 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.259 -10.320 6.970 1.00 0.00 H new TER 908 GLU A 76 ATOM 909 N SER B 101 1.287 17.150 7.099 1.00 0.00 N ATOM 910 CA SER B 101 2.139 17.095 5.896 1.00 0.00 C ATOM 911 C SER B 101 2.120 15.696 5.271 1.00 0.00 C ATOM 912 O SER B 101 1.790 15.540 4.094 1.00 0.00 O ATOM 913 CB SER B 101 3.568 17.499 6.260 1.00 0.00 C ATOM 914 OG SER B 101 4.023 16.778 7.392 1.00 0.00 O ATOM 0 HA SER B 101 1.745 17.794 5.158 1.00 0.00 H new ATOM 0 HB2 SER B 101 4.230 17.312 5.414 1.00 0.00 H new ATOM 0 HB3 SER B 101 3.607 18.569 6.465 1.00 0.00 H new ATOM 0 HG SER B 101 3.299 16.711 8.050 1.00 0.00 H new ATOM 922 N GLN B 102 2.451 14.674 6.062 1.00 0.00 N ATOM 923 CA GLN B 102 2.562 13.318 5.537 1.00 0.00 C ATOM 924 C GLN B 102 1.191 12.697 5.286 1.00 0.00 C ATOM 925 O GLN B 102 1.055 11.824 4.431 1.00 0.00 O ATOM 926 CB GLN B 102 3.391 12.424 6.471 1.00 0.00 C ATOM 927 CG GLN B 102 2.825 12.285 7.874 1.00 0.00 C ATOM 928 CD GLN B 102 3.633 11.330 8.728 1.00 0.00 C ATOM 929 OE1 GLN B 102 4.590 11.724 9.390 1.00 0.00 O ATOM 930 NE2 GLN B 102 3.249 10.066 8.725 1.00 0.00 N ATOM 0 H GLN B 102 2.645 14.761 7.060 1.00 0.00 H new ATOM 0 HA GLN B 102 3.080 13.389 4.580 1.00 0.00 H new ATOM 0 HB2 GLN B 102 3.473 11.432 6.026 1.00 0.00 H new ATOM 0 HB3 GLN B 102 4.401 12.828 6.538 1.00 0.00 H new ATOM 0 HG2 GLN B 102 2.800 13.264 8.352 1.00 0.00 H new ATOM 0 HG3 GLN B 102 1.795 11.933 7.815 1.00 0.00 H new ATOM 0 HE21 GLN B 102 2.449 9.777 8.162 1.00 0.00 H new ATOM 0 HE22 GLN B 102 3.753 9.379 9.286 1.00 0.00 H new ATOM 939 N GLU B 103 0.172 13.153 6.007 1.00 0.00 N ATOM 940 CA GLU B 103 -1.172 12.609 5.828 1.00 0.00 C ATOM 941 C GLU B 103 -1.711 12.983 4.447 1.00 0.00 C ATOM 942 O GLU B 103 -2.415 12.198 3.809 1.00 0.00 O ATOM 943 CB GLU B 103 -2.130 13.075 6.941 1.00 0.00 C ATOM 944 CG GLU B 103 -2.540 14.543 6.878 1.00 0.00 C ATOM 945 CD GLU B 103 -1.375 15.495 7.033 1.00 0.00 C ATOM 946 OE1 GLU B 103 -0.916 16.056 6.022 1.00 0.00 O ATOM 947 OE2 GLU B 103 -0.915 15.696 8.176 1.00 0.00 O ATOM 0 H GLU B 103 0.247 13.887 6.711 1.00 0.00 H new ATOM 0 HA GLU B 103 -1.108 11.523 5.897 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -3.030 12.462 6.903 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -1.658 12.888 7.905 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -3.033 14.735 5.925 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -3.271 14.743 7.661 1.00 0.00 H new ATOM 954 N LYS B 104 -1.360 14.178 3.984 1.00 0.00 N ATOM 955 CA LYS B 104 -1.719 14.619 2.643 1.00 0.00 C ATOM 956 C LYS B 104 -0.897 13.863 1.604 1.00 0.00 C ATOM 957 O LYS B 104 -1.381 13.541 0.523 1.00 0.00 O ATOM 958 CB LYS B 104 -1.485 16.123 2.505 1.00 0.00 C ATOM 959 CG LYS B 104 -1.891 16.685 1.153 1.00 0.00 C ATOM 960 CD LYS B 104 -1.574 18.166 1.051 1.00 0.00 C ATOM 961 CE LYS B 104 -1.989 18.737 -0.293 1.00 0.00 C ATOM 962 NZ LYS B 104 -3.458 18.679 -0.498 1.00 0.00 N ATOM 0 H LYS B 104 -0.825 14.860 4.521 1.00 0.00 H new ATOM 0 HA LYS B 104 -2.775 14.410 2.475 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -2.042 16.641 3.286 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -0.429 16.334 2.674 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -1.371 16.145 0.362 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -2.958 16.528 0.998 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -2.086 18.704 1.849 1.00 0.00 H new ATOM 0 HD3 LYS B 104 -0.505 18.320 1.198 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -1.655 19.772 -0.365 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -1.491 18.185 -1.090 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -3.718 19.268 -1.314 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -3.745 17.695 -0.676 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -3.941 19.032 0.352 1.00 0.00 H new ATOM 976 N PHE B 105 0.346 13.574 1.962 1.00 0.00 N ATOM 977 CA PHE B 105 1.258 12.813 1.112 1.00 0.00 C ATOM 978 C PHE B 105 0.682 11.428 0.821 1.00 0.00 C ATOM 979 O PHE B 105 0.837 10.901 -0.275 1.00 0.00 O ATOM 980 CB PHE B 105 2.613 12.703 1.821 1.00 0.00 C ATOM 981 CG PHE B 105 3.746 12.202 0.968 1.00 0.00 C ATOM 982 CD1 PHE B 105 4.450 13.072 0.148 1.00 0.00 C ATOM 983 CD2 PHE B 105 4.123 10.870 1.004 1.00 0.00 C ATOM 984 CE1 PHE B 105 5.506 12.621 -0.620 1.00 0.00 C ATOM 985 CE2 PHE B 105 5.175 10.413 0.236 1.00 0.00 C ATOM 986 CZ PHE B 105 5.868 11.290 -0.575 1.00 0.00 C ATOM 0 H PHE B 105 0.754 13.860 2.852 1.00 0.00 H new ATOM 0 HA PHE B 105 1.389 13.324 0.158 1.00 0.00 H new ATOM 0 HB2 PHE B 105 2.881 13.685 2.212 1.00 0.00 H new ATOM 0 HB3 PHE B 105 2.503 12.038 2.678 1.00 0.00 H new ATOM 0 HD1 PHE B 105 4.169 14.114 0.110 1.00 0.00 H new ATOM 0 HD2 PHE B 105 3.588 10.181 1.640 1.00 0.00 H new ATOM 0 HE1 PHE B 105 6.047 13.308 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE B 105 5.456 9.371 0.269 1.00 0.00 H new ATOM 0 HZ PHE B 105 6.693 10.934 -1.174 1.00 0.00 H new ATOM 996 N PHE B 106 -0.004 10.858 1.805 1.00 0.00 N ATOM 997 CA PHE B 106 -0.617 9.545 1.649 1.00 0.00 C ATOM 998 C PHE B 106 -1.905 9.629 0.827 1.00 0.00 C ATOM 999 O PHE B 106 -2.326 8.653 0.209 1.00 0.00 O ATOM 1000 CB PHE B 106 -0.935 8.935 3.018 1.00 0.00 C ATOM 1001 CG PHE B 106 0.256 8.789 3.925 1.00 0.00 C ATOM 1002 CD1 PHE B 106 0.117 8.963 5.294 1.00 0.00 C ATOM 1003 CD2 PHE B 106 1.509 8.479 3.418 1.00 0.00 C ATOM 1004 CE1 PHE B 106 1.203 8.828 6.136 1.00 0.00 C ATOM 1005 CE2 PHE B 106 2.596 8.346 4.257 1.00 0.00 C ATOM 1006 CZ PHE B 106 2.444 8.520 5.617 1.00 0.00 C ATOM 0 H PHE B 106 -0.150 11.285 2.720 1.00 0.00 H new ATOM 0 HA PHE B 106 0.097 8.912 1.123 1.00 0.00 H new ATOM 0 HB2 PHE B 106 -1.681 9.556 3.515 1.00 0.00 H new ATOM 0 HB3 PHE B 106 -1.386 7.954 2.869 1.00 0.00 H new ATOM 0 HD1 PHE B 106 -0.851 9.207 5.706 1.00 0.00 H new ATOM 0 HD2 PHE B 106 1.635 8.340 2.354 1.00 0.00 H new ATOM 0 HE1 PHE B 106 1.081 8.963 7.201 1.00 0.00 H new ATOM 0 HE2 PHE B 106 3.567 8.106 3.849 1.00 0.00 H new ATOM 0 HZ PHE B 106 3.295 8.415 6.274 1.00 0.00 H new ATOM 1016 N GLN B 107 -2.527 10.798 0.827 1.00 0.00 N ATOM 1017 CA GLN B 107 -3.827 10.969 0.190 1.00 0.00 C ATOM 1018 C GLN B 107 -3.693 11.469 -1.244 1.00 0.00 C ATOM 1019 O GLN B 107 -4.129 10.804 -2.183 1.00 0.00 O ATOM 1020 CB GLN B 107 -4.679 11.951 0.995 1.00 0.00 C ATOM 1021 CG GLN B 107 -6.031 12.236 0.365 1.00 0.00 C ATOM 1022 CD GLN B 107 -6.810 13.301 1.108 1.00 0.00 C ATOM 1023 OE1 GLN B 107 -6.689 13.447 2.324 1.00 0.00 O ATOM 1024 NE2 GLN B 107 -7.612 14.056 0.380 1.00 0.00 N ATOM 0 H GLN B 107 -2.154 11.643 1.260 1.00 0.00 H new ATOM 0 HA GLN B 107 -4.311 9.993 0.164 1.00 0.00 H new ATOM 0 HB2 GLN B 107 -4.831 11.551 1.998 1.00 0.00 H new ATOM 0 HB3 GLN B 107 -4.133 12.888 1.105 1.00 0.00 H new ATOM 0 HG2 GLN B 107 -5.886 12.552 -0.668 1.00 0.00 H new ATOM 0 HG3 GLN B 107 -6.616 11.316 0.338 1.00 0.00 H new ATOM 0 HE21 GLN B 107 -7.683 13.902 -0.626 1.00 0.00 H new ATOM 0 HE22 GLN B 107 -8.160 14.793 0.823 1.00 0.00 H new ATOM 1033 N GLU B 108 -3.068 12.631 -1.399 1.00 0.00 N ATOM 1034 CA GLU B 108 -3.030 13.329 -2.681 1.00 0.00 C ATOM 1035 C GLU B 108 -2.293 12.520 -3.746 1.00 0.00 C ATOM 1036 O GLU B 108 -2.609 12.604 -4.931 1.00 0.00 O ATOM 1037 CB GLU B 108 -2.370 14.697 -2.510 1.00 0.00 C ATOM 1038 CG GLU B 108 -3.271 15.859 -2.896 1.00 0.00 C ATOM 1039 CD GLU B 108 -4.590 15.860 -2.146 1.00 0.00 C ATOM 1040 OE1 GLU B 108 -4.616 16.328 -0.985 1.00 0.00 O ATOM 1041 OE2 GLU B 108 -5.600 15.386 -2.708 1.00 0.00 O ATOM 0 H GLU B 108 -2.577 13.113 -0.647 1.00 0.00 H new ATOM 0 HA GLU B 108 -4.058 13.460 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -2.063 14.816 -1.471 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -1.465 14.733 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -2.749 16.796 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -3.468 15.819 -3.967 1.00 0.00 H new ATOM 1048 N LEU B 109 -1.317 11.729 -3.322 1.00 0.00 N ATOM 1049 CA LEU B 109 -0.546 10.918 -4.255 1.00 0.00 C ATOM 1050 C LEU B 109 -1.333 9.691 -4.693 1.00 0.00 C ATOM 1051 O LEU B 109 -1.160 9.199 -5.805 1.00 0.00 O ATOM 1052 CB LEU B 109 0.776 10.488 -3.628 1.00 0.00 C ATOM 1053 CG LEU B 109 1.759 11.621 -3.339 1.00 0.00 C ATOM 1054 CD1 LEU B 109 3.014 11.073 -2.692 1.00 0.00 C ATOM 1055 CD2 LEU B 109 2.105 12.366 -4.619 1.00 0.00 C ATOM 0 H LEU B 109 -1.041 11.631 -2.345 1.00 0.00 H new ATOM 0 HA LEU B 109 -0.340 11.529 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU B 109 0.564 9.966 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU B 109 1.258 9.771 -4.292 1.00 0.00 H new ATOM 0 HG LEU B 109 1.288 12.322 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU B 109 3.706 11.890 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU B 109 2.755 10.579 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU B 109 3.485 10.355 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU B 109 2.806 13.170 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU B 109 2.560 11.676 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU B 109 1.197 12.787 -5.052 1.00 0.00 H new ATOM 1067 N PHE B 110 -2.206 9.204 -3.826 1.00 0.00 N ATOM 1068 CA PHE B 110 -2.986 8.019 -4.136 1.00 0.00 C ATOM 1069 C PHE B 110 -4.293 8.412 -4.812 1.00 0.00 C ATOM 1070 O PHE B 110 -5.060 7.561 -5.261 1.00 0.00 O ATOM 1071 CB PHE B 110 -3.262 7.204 -2.874 1.00 0.00 C ATOM 1072 CG PHE B 110 -3.169 5.721 -3.099 1.00 0.00 C ATOM 1073 CD1 PHE B 110 -4.256 5.020 -3.594 1.00 0.00 C ATOM 1074 CD2 PHE B 110 -2.007 5.028 -2.799 1.00 0.00 C ATOM 1075 CE1 PHE B 110 -4.188 3.656 -3.787 1.00 0.00 C ATOM 1076 CE2 PHE B 110 -1.931 3.660 -2.992 1.00 0.00 C ATOM 1077 CZ PHE B 110 -2.969 2.985 -3.548 1.00 0.00 C ATOM 0 H PHE B 110 -2.391 9.608 -2.908 1.00 0.00 H new ATOM 0 HA PHE B 110 -2.409 7.398 -4.821 1.00 0.00 H new ATOM 0 HB2 PHE B 110 -2.552 7.493 -2.099 1.00 0.00 H new ATOM 0 HB3 PHE B 110 -4.257 7.447 -2.502 1.00 0.00 H new ATOM 0 HD1 PHE B 110 -5.168 5.548 -3.832 1.00 0.00 H new ATOM 0 HD2 PHE B 110 -1.152 5.561 -2.411 1.00 0.00 H new ATOM 0 HE1 PHE B 110 -5.058 3.107 -4.117 1.00 0.00 H new ATOM 0 HE2 PHE B 110 -1.040 3.126 -2.698 1.00 0.00 H new ATOM 0 HZ PHE B 110 -2.863 1.942 -3.806 1.00 0.00 H new ATOM 1087 N ASP B 111 -4.537 9.715 -4.872 1.00 0.00 N ATOM 1088 CA ASP B 111 -5.719 10.258 -5.527 1.00 0.00 C ATOM 1089 C ASP B 111 -5.712 9.909 -7.011 1.00 0.00 C ATOM 1090 O ASP B 111 -6.678 9.354 -7.539 1.00 0.00 O ATOM 1091 CB ASP B 111 -5.765 11.777 -5.351 1.00 0.00 C ATOM 1092 CG ASP B 111 -7.025 12.397 -5.918 1.00 0.00 C ATOM 1093 OD1 ASP B 111 -7.076 12.645 -7.139 1.00 0.00 O ATOM 1094 OD2 ASP B 111 -7.968 12.639 -5.139 1.00 0.00 O ATOM 0 H ASP B 111 -3.923 10.423 -4.469 1.00 0.00 H new ATOM 0 HA ASP B 111 -6.604 9.818 -5.067 1.00 0.00 H new ATOM 0 HB2 ASP B 111 -5.693 12.017 -4.290 1.00 0.00 H new ATOM 0 HB3 ASP B 111 -4.897 12.221 -5.838 1.00 0.00 H new ATOM 1099 N SER B 112 -4.610 10.227 -7.667 1.00 0.00 N ATOM 1100 CA SER B 112 -4.447 9.950 -9.080 1.00 0.00 C ATOM 1101 C SER B 112 -2.962 9.930 -9.412 1.00 0.00 C ATOM 1102 O SER B 112 -2.415 8.831 -9.642 1.00 0.00 O ATOM 1103 CB SER B 112 -5.175 11.008 -9.918 1.00 0.00 C ATOM 1104 OG SER B 112 -5.157 10.682 -11.301 1.00 0.00 O ATOM 1105 OXT SER B 112 -2.335 11.012 -9.391 1.00 0.00 O ATOM 0 H SER B 112 -3.806 10.683 -7.235 1.00 0.00 H new ATOM 0 HA SER B 112 -4.882 8.979 -9.316 1.00 0.00 H new ATOM 0 HB2 SER B 112 -6.207 11.096 -9.578 1.00 0.00 H new ATOM 0 HB3 SER B 112 -4.705 11.980 -9.766 1.00 0.00 H new ATOM 0 HG SER B 112 -5.631 11.375 -11.807 1.00 0.00 H new TER 1111 SER B 112