USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 962 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 164:sc= -0.592 (180deg=-1.53) USER MOD Single : A 15 CYS SG : rot 45:sc= -1.27 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 1.32 (180deg=1.17) USER MOD Single : A 22 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.3!) USER MOD Single : A 24 TYR OH : rot 37:sc= 0.201 USER MOD Single : A 27 HIS : no HD1:sc=-0.00699 X(o=-0.007,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 141:sc= -0.992 (180deg=-3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -3.81 K(o=-3.8,f=-4.7!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0.0879 USER MOD Single : A 46 SER OG : rot -97:sc= 1.28 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -2.19! C(o=-2.2!,f=-8!) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0906 F(o=-0.63,f=-0.091) USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0131) USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 72 HIS : no HD1:sc= -0.208 K(o=-0.21,f=-6.9!) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 74 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.67) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 95 THR OG1 : rot 177:sc= -1.7! USER MOD Single : A 98 GLN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.591 K(o=-0.59,f=-2.7!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.0893 X(o=-0.089,f=0) USER MOD Single : A 114 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.3) USER MOD Single : A 119 GLN :FLIP amide:sc= -0.134 F(o=-1.2,f=-0.13) USER MOD Single : B 1 GLN : amide:sc= -0.164 K(o=-0.16,f=-7!) USER MOD Single : B 1 GLN N :NH3+ -120:sc= -0.357 (180deg=-1.48) USER MOD Single : B 3 THR OG1 : rot 71:sc= 0.423 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -24.307 -19.022 -4.267 1.00 0.00 N ATOM 2 CA GLY A 4 -24.445 -17.814 -5.114 1.00 0.00 C ATOM 3 C GLY A 4 -23.114 -17.377 -5.677 1.00 0.00 C ATOM 4 O GLY A 4 -22.066 -17.845 -5.234 1.00 0.00 O ATOM 0 HA2 GLY A 4 -25.137 -18.018 -5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.876 -17.004 -4.526 1.00 0.00 H new ATOM 10 N ILE A 5 -23.146 -16.483 -6.650 1.00 0.00 N ATOM 11 CA ILE A 5 -21.929 -16.045 -7.309 1.00 0.00 C ATOM 12 C ILE A 5 -21.417 -14.737 -6.718 1.00 0.00 C ATOM 13 O ILE A 5 -22.125 -13.726 -6.667 1.00 0.00 O ATOM 14 CB ILE A 5 -22.129 -15.924 -8.845 1.00 0.00 C ATOM 15 CG1 ILE A 5 -20.837 -15.487 -9.573 1.00 0.00 C ATOM 16 CG2 ILE A 5 -23.288 -14.986 -9.176 1.00 0.00 C ATOM 17 CD1 ILE A 5 -20.601 -13.987 -9.632 1.00 0.00 C ATOM 0 H ILE A 5 -23.999 -16.047 -7.000 1.00 0.00 H new ATOM 0 HA ILE A 5 -21.170 -16.808 -7.133 1.00 0.00 H new ATOM 0 HB ILE A 5 -22.379 -16.920 -9.211 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -19.985 -15.953 -9.078 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -20.865 -15.874 -10.592 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -23.405 -14.920 -10.258 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.206 -15.373 -8.734 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -23.081 -13.995 -8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -19.670 -13.786 -10.162 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -21.428 -13.509 -10.157 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -20.535 -13.589 -8.619 1.00 0.00 H new ATOM 29 N ASP A 6 -20.190 -14.784 -6.236 1.00 0.00 N ATOM 30 CA ASP A 6 -19.468 -13.593 -5.843 1.00 0.00 C ATOM 31 C ASP A 6 -18.097 -13.613 -6.506 1.00 0.00 C ATOM 32 O ASP A 6 -17.427 -14.645 -6.521 1.00 0.00 O ATOM 33 CB ASP A 6 -19.348 -13.478 -4.317 1.00 0.00 C ATOM 34 CG ASP A 6 -18.636 -14.645 -3.660 1.00 0.00 C ATOM 35 OD1 ASP A 6 -19.299 -15.666 -3.381 1.00 0.00 O ATOM 36 OD2 ASP A 6 -17.421 -14.530 -3.384 1.00 0.00 O ATOM 0 H ASP A 6 -19.667 -15.650 -6.106 1.00 0.00 H new ATOM 0 HA ASP A 6 -20.021 -12.714 -6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -18.816 -12.558 -4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -20.347 -13.390 -3.891 1.00 0.00 H new ATOM 41 N PRO A 7 -17.666 -12.485 -7.093 1.00 0.00 N ATOM 42 CA PRO A 7 -16.443 -12.425 -7.901 1.00 0.00 C ATOM 43 C PRO A 7 -15.174 -12.385 -7.067 1.00 0.00 C ATOM 44 O PRO A 7 -14.082 -12.154 -7.592 1.00 0.00 O ATOM 45 CB PRO A 7 -16.585 -11.107 -8.682 1.00 0.00 C ATOM 46 CG PRO A 7 -17.938 -10.566 -8.345 1.00 0.00 C ATOM 47 CD PRO A 7 -18.327 -11.179 -7.036 1.00 0.00 C ATOM 0 HA PRO A 7 -16.347 -13.313 -8.526 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.803 -10.402 -8.401 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -16.490 -11.278 -9.754 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.914 -9.479 -8.272 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -18.661 -10.818 -9.121 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.981 -10.585 -6.190 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -19.408 -11.275 -6.937 1.00 0.00 H new ATOM 55 N PHE A 8 -15.329 -12.618 -5.770 1.00 0.00 N ATOM 56 CA PHE A 8 -14.246 -12.421 -4.807 1.00 0.00 C ATOM 57 C PHE A 8 -13.806 -10.954 -4.850 1.00 0.00 C ATOM 58 O PHE A 8 -12.673 -10.596 -4.527 1.00 0.00 O ATOM 59 CB PHE A 8 -13.080 -13.389 -5.093 1.00 0.00 C ATOM 60 CG PHE A 8 -11.905 -13.254 -4.160 1.00 0.00 C ATOM 61 CD1 PHE A 8 -12.090 -13.132 -2.791 1.00 0.00 C ATOM 62 CD2 PHE A 8 -10.611 -13.240 -4.660 1.00 0.00 C ATOM 63 CE1 PHE A 8 -11.008 -12.999 -1.940 1.00 0.00 C ATOM 64 CE2 PHE A 8 -9.528 -13.110 -3.814 1.00 0.00 C ATOM 65 CZ PHE A 8 -9.727 -12.988 -2.454 1.00 0.00 C ATOM 0 H PHE A 8 -16.201 -12.947 -5.355 1.00 0.00 H new ATOM 0 HA PHE A 8 -14.596 -12.646 -3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -13.453 -14.412 -5.039 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -12.735 -13.229 -6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -13.091 -13.141 -2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.449 -13.332 -5.724 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.165 -12.904 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.526 -13.104 -4.216 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.880 -12.884 -1.792 1.00 0.00 H new ATOM 75 N THR A 9 -14.735 -10.106 -5.268 1.00 0.00 N ATOM 76 CA THR A 9 -14.496 -8.685 -5.338 1.00 0.00 C ATOM 77 C THR A 9 -14.255 -8.142 -3.942 1.00 0.00 C ATOM 78 O THR A 9 -14.931 -8.536 -2.993 1.00 0.00 O ATOM 79 CB THR A 9 -15.675 -7.944 -6.007 1.00 0.00 C ATOM 80 OG1 THR A 9 -15.255 -6.654 -6.462 1.00 0.00 O ATOM 81 CG2 THR A 9 -16.851 -7.777 -5.062 1.00 0.00 C ATOM 0 H THR A 9 -15.669 -10.389 -5.565 1.00 0.00 H new ATOM 0 HA THR A 9 -13.612 -8.516 -5.953 1.00 0.00 H new ATOM 0 HB THR A 9 -15.998 -8.553 -6.851 1.00 0.00 H new ATOM 0 HG1 THR A 9 -16.010 -6.195 -6.886 1.00 0.00 H new ATOM 0 HG21 THR A 9 -17.657 -7.251 -5.574 1.00 0.00 H new ATOM 0 HG22 THR A 9 -17.203 -8.758 -4.742 1.00 0.00 H new ATOM 0 HG23 THR A 9 -16.539 -7.202 -4.190 1.00 0.00 H new ATOM 89 N MET A 10 -13.274 -7.262 -3.842 1.00 0.00 N ATOM 90 CA MET A 10 -12.823 -6.697 -2.572 1.00 0.00 C ATOM 91 C MET A 10 -11.442 -6.113 -2.770 1.00 0.00 C ATOM 92 O MET A 10 -11.028 -5.207 -2.055 1.00 0.00 O ATOM 93 CB MET A 10 -12.771 -7.751 -1.452 1.00 0.00 C ATOM 94 CG MET A 10 -11.836 -8.919 -1.733 1.00 0.00 C ATOM 95 SD MET A 10 -11.824 -10.131 -0.400 1.00 0.00 S ATOM 96 CE MET A 10 -13.505 -10.745 -0.486 1.00 0.00 C ATOM 0 H MET A 10 -12.758 -6.912 -4.649 1.00 0.00 H new ATOM 0 HA MET A 10 -13.536 -5.931 -2.268 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.459 -7.266 -0.527 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.777 -8.138 -1.286 1.00 0.00 H new ATOM 0 HG2 MET A 10 -12.138 -9.407 -2.660 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.825 -8.542 -1.886 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.579 -11.681 0.067 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.183 -10.011 -0.050 1.00 0.00 H new ATOM 0 HE3 MET A 10 -13.777 -10.916 -1.528 1.00 0.00 H new ATOM 106 N LEU A 11 -10.756 -6.663 -3.765 1.00 0.00 N ATOM 107 CA LEU A 11 -9.396 -6.282 -4.114 1.00 0.00 C ATOM 108 C LEU A 11 -9.308 -4.797 -4.463 1.00 0.00 C ATOM 109 O LEU A 11 -9.732 -4.374 -5.542 1.00 0.00 O ATOM 110 CB LEU A 11 -8.944 -7.137 -5.297 1.00 0.00 C ATOM 111 CG LEU A 11 -9.172 -8.639 -5.110 1.00 0.00 C ATOM 112 CD1 LEU A 11 -9.072 -9.374 -6.437 1.00 0.00 C ATOM 113 CD2 LEU A 11 -8.180 -9.205 -4.106 1.00 0.00 C ATOM 0 H LEU A 11 -11.137 -7.398 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.743 -6.451 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.474 -6.809 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.883 -6.961 -5.473 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.180 -8.785 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.238 -10.439 -6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.826 -8.989 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.081 -9.221 -6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.355 -10.274 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.164 -9.043 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.308 -8.705 -3.146 1.00 0.00 H new ATOM 125 N PRO A 12 -8.749 -3.994 -3.553 1.00 0.00 N ATOM 126 CA PRO A 12 -8.652 -2.558 -3.719 1.00 0.00 C ATOM 127 C PRO A 12 -7.365 -2.154 -4.425 1.00 0.00 C ATOM 128 O PRO A 12 -6.582 -3.005 -4.853 1.00 0.00 O ATOM 129 CB PRO A 12 -8.657 -2.061 -2.275 1.00 0.00 C ATOM 130 CG PRO A 12 -8.021 -3.158 -1.479 1.00 0.00 C ATOM 131 CD PRO A 12 -8.146 -4.432 -2.284 1.00 0.00 C ATOM 0 HA PRO A 12 -9.451 -2.145 -4.334 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.099 -1.130 -2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.672 -1.862 -1.931 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.974 -2.931 -1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.513 -3.265 -0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.175 -4.900 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.773 -5.165 -1.776 1.00 0.00 H new ATOM 139 N ARG A 13 -7.148 -0.858 -4.556 1.00 0.00 N ATOM 140 CA ARG A 13 -5.940 -0.360 -5.181 1.00 0.00 C ATOM 141 C ARG A 13 -5.299 0.707 -4.307 1.00 0.00 C ATOM 142 O ARG A 13 -5.985 1.565 -3.747 1.00 0.00 O ATOM 143 CB ARG A 13 -6.236 0.191 -6.580 1.00 0.00 C ATOM 144 CG ARG A 13 -7.163 1.397 -6.599 1.00 0.00 C ATOM 145 CD ARG A 13 -7.423 1.865 -8.020 1.00 0.00 C ATOM 146 NE ARG A 13 -6.181 2.139 -8.742 1.00 0.00 N ATOM 147 CZ ARG A 13 -5.869 1.588 -9.915 1.00 0.00 C ATOM 148 NH1 ARG A 13 -6.686 0.706 -10.483 1.00 0.00 N ATOM 149 NH2 ARG A 13 -4.727 1.903 -10.507 1.00 0.00 N ATOM 0 H ARG A 13 -7.792 -0.134 -4.238 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.240 -1.189 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.294 0.465 -7.056 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.679 -0.602 -7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.107 1.141 -6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.721 2.208 -6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.992 1.104 -8.554 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.036 2.766 -7.999 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.515 2.789 -8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.558 0.447 -10.021 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.441 0.288 -11.381 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.089 2.565 -10.065 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.485 1.483 -11.405 1.00 0.00 H new ATOM 163 N LEU A 14 -3.986 0.636 -4.179 1.00 0.00 N ATOM 164 CA LEU A 14 -3.250 1.602 -3.395 1.00 0.00 C ATOM 165 C LEU A 14 -2.949 2.805 -4.274 1.00 0.00 C ATOM 166 O LEU A 14 -2.282 2.683 -5.298 1.00 0.00 O ATOM 167 CB LEU A 14 -1.959 0.968 -2.860 1.00 0.00 C ATOM 168 CG LEU A 14 -1.364 1.623 -1.608 1.00 0.00 C ATOM 169 CD1 LEU A 14 -0.760 2.984 -1.927 1.00 0.00 C ATOM 170 CD2 LEU A 14 -2.427 1.749 -0.525 1.00 0.00 C ATOM 0 H LEU A 14 -3.409 -0.085 -4.611 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.839 1.924 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.156 -0.081 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.209 0.992 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.561 0.983 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.347 3.421 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.033 2.866 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.533 3.641 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.992 2.216 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.249 2.363 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.801 0.759 -0.266 1.00 0.00 H new ATOM 182 N CYS A 15 -3.454 3.959 -3.880 1.00 0.00 N ATOM 183 CA CYS A 15 -3.378 5.131 -4.727 1.00 0.00 C ATOM 184 C CYS A 15 -2.398 6.137 -4.154 1.00 0.00 C ATOM 185 O CYS A 15 -2.650 6.740 -3.112 1.00 0.00 O ATOM 186 CB CYS A 15 -4.762 5.764 -4.874 1.00 0.00 C ATOM 187 SG CYS A 15 -6.065 4.582 -5.295 1.00 0.00 S ATOM 0 H CYS A 15 -3.918 4.108 -2.984 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.024 4.827 -5.712 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.024 6.262 -3.941 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.719 6.533 -5.645 1.00 0.00 H new ATOM 0 HG CYS A 15 -5.952 3.526 -4.545 1.00 0.00 H new ATOM 193 N CYS A 16 -1.270 6.296 -4.819 1.00 0.00 N ATOM 194 CA CYS A 16 -0.301 7.293 -4.419 1.00 0.00 C ATOM 195 C CYS A 16 -0.595 8.594 -5.145 1.00 0.00 C ATOM 196 O CYS A 16 -0.375 8.705 -6.352 1.00 0.00 O ATOM 197 CB CYS A 16 1.123 6.823 -4.724 1.00 0.00 C ATOM 198 SG CYS A 16 2.420 7.926 -4.109 1.00 0.00 S ATOM 0 H CYS A 16 -1.004 5.748 -5.637 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.377 7.450 -3.343 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.267 5.834 -4.289 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.235 6.716 -5.803 1.00 0.00 H new ATOM 0 HG CYS A 16 3.586 7.439 -4.416 1.00 0.00 H new ATOM 204 N LEU A 17 -1.121 9.565 -4.420 1.00 0.00 N ATOM 205 CA LEU A 17 -1.429 10.854 -5.008 1.00 0.00 C ATOM 206 C LEU A 17 -0.262 11.810 -4.833 1.00 0.00 C ATOM 207 O LEU A 17 0.175 12.081 -3.713 1.00 0.00 O ATOM 208 CB LEU A 17 -2.716 11.449 -4.422 1.00 0.00 C ATOM 209 CG LEU A 17 -4.013 11.001 -5.106 1.00 0.00 C ATOM 210 CD1 LEU A 17 -4.340 9.552 -4.788 1.00 0.00 C ATOM 211 CD2 LEU A 17 -5.160 11.900 -4.698 1.00 0.00 C ATOM 0 H LEU A 17 -1.343 9.485 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.597 10.702 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.771 11.185 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.652 12.536 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.865 11.080 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.266 9.269 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.529 8.911 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.460 9.434 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.074 11.570 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.293 11.852 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.940 12.926 -4.991 1.00 0.00 H new ATOM 223 N GLU A 18 0.251 12.287 -5.952 1.00 0.00 N ATOM 224 CA GLU A 18 1.367 13.215 -5.955 1.00 0.00 C ATOM 225 C GLU A 18 0.851 14.647 -5.953 1.00 0.00 C ATOM 226 O GLU A 18 -0.157 14.954 -6.586 1.00 0.00 O ATOM 227 CB GLU A 18 2.246 12.964 -7.184 1.00 0.00 C ATOM 228 CG GLU A 18 3.410 13.933 -7.322 1.00 0.00 C ATOM 229 CD GLU A 18 4.278 13.629 -8.522 1.00 0.00 C ATOM 230 OE1 GLU A 18 3.924 14.048 -9.646 1.00 0.00 O ATOM 231 OE2 GLU A 18 5.316 12.964 -8.352 1.00 0.00 O ATOM 0 H GLU A 18 -0.092 12.043 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 18 1.967 13.061 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.637 11.948 -7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.627 13.026 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.025 14.949 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.019 13.895 -6.419 1.00 0.00 H new ATOM 238 N LYS A 19 1.524 15.514 -5.217 1.00 0.00 N ATOM 239 CA LYS A 19 1.152 16.913 -5.180 1.00 0.00 C ATOM 240 C LYS A 19 1.627 17.588 -6.459 1.00 0.00 C ATOM 241 O LYS A 19 2.817 17.854 -6.631 1.00 0.00 O ATOM 242 CB LYS A 19 1.742 17.587 -3.930 1.00 0.00 C ATOM 243 CG LYS A 19 1.046 18.886 -3.515 1.00 0.00 C ATOM 244 CD LYS A 19 1.357 20.037 -4.461 1.00 0.00 C ATOM 245 CE LYS A 19 2.855 20.219 -4.608 1.00 0.00 C ATOM 246 NZ LYS A 19 3.219 21.339 -5.519 1.00 0.00 N ATOM 0 H LYS A 19 2.329 15.272 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 19 0.068 17.009 -5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.695 16.884 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.796 17.797 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.032 18.724 -3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.356 19.155 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.912 19.843 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.909 20.956 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.291 20.401 -3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.292 19.295 -4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.243 21.514 -5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.964 21.089 -6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.705 22.198 -5.236 1.00 0.00 H new ATOM 260 N GLY A 20 0.688 17.837 -7.356 1.00 0.00 N ATOM 261 CA GLY A 20 1.011 18.451 -8.624 1.00 0.00 C ATOM 262 C GLY A 20 1.118 19.958 -8.518 1.00 0.00 C ATOM 263 O GLY A 20 1.911 20.468 -7.728 1.00 0.00 O ATOM 0 H GLY A 20 -0.301 17.623 -7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.954 18.046 -8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.246 18.193 -9.356 1.00 0.00 H new ATOM 267 N PRO A 21 0.319 20.700 -9.296 1.00 0.00 N ATOM 268 CA PRO A 21 0.375 22.165 -9.326 1.00 0.00 C ATOM 269 C PRO A 21 0.185 22.789 -7.945 1.00 0.00 C ATOM 270 O PRO A 21 1.101 23.398 -7.394 1.00 0.00 O ATOM 271 CB PRO A 21 -0.778 22.561 -10.263 1.00 0.00 C ATOM 272 CG PRO A 21 -1.624 21.339 -10.398 1.00 0.00 C ATOM 273 CD PRO A 21 -0.699 20.173 -10.215 1.00 0.00 C ATOM 0 HA PRO A 21 1.349 22.520 -9.663 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.351 23.391 -9.850 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.401 22.886 -11.233 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.417 21.329 -9.650 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.107 21.305 -11.375 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.215 19.310 -9.794 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.262 19.852 -11.161 1.00 0.00 H new ATOM 281 N ASN A 22 -0.998 22.612 -7.380 1.00 0.00 N ATOM 282 CA ASN A 22 -1.319 23.195 -6.086 1.00 0.00 C ATOM 283 C ASN A 22 -2.140 22.229 -5.246 1.00 0.00 C ATOM 284 O ASN A 22 -3.094 22.628 -4.585 1.00 0.00 O ATOM 285 CB ASN A 22 -2.076 24.521 -6.265 1.00 0.00 C ATOM 286 CG ASN A 22 -3.278 24.422 -7.197 1.00 0.00 C ATOM 287 OD1 ASN A 22 -3.892 23.364 -7.352 1.00 0.00 O ATOM 288 ND2 ASN A 22 -3.623 25.537 -7.823 1.00 0.00 N ATOM 0 H ASN A 22 -1.754 22.068 -7.797 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.384 23.395 -5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.413 24.871 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.388 25.272 -6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.421 25.539 -8.458 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.091 26.394 -7.670 1.00 0.00 H new ATOM 295 N GLY A 23 -1.753 20.963 -5.254 1.00 0.00 N ATOM 296 CA GLY A 23 -2.525 19.963 -4.546 1.00 0.00 C ATOM 297 C GLY A 23 -2.550 18.643 -5.281 1.00 0.00 C ATOM 298 O GLY A 23 -1.668 18.369 -6.094 1.00 0.00 O ATOM 0 H GLY A 23 -0.925 20.611 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.103 19.816 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.545 20.322 -4.410 1.00 0.00 H new ATOM 302 N TYR A 24 -3.562 17.835 -5.013 1.00 0.00 N ATOM 303 CA TYR A 24 -3.649 16.505 -5.599 1.00 0.00 C ATOM 304 C TYR A 24 -4.719 16.462 -6.683 1.00 0.00 C ATOM 305 O TYR A 24 -4.630 15.675 -7.626 1.00 0.00 O ATOM 306 CB TYR A 24 -3.912 15.472 -4.501 1.00 0.00 C ATOM 307 CG TYR A 24 -2.888 15.552 -3.391 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.535 15.530 -3.688 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.264 15.689 -2.062 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.582 15.638 -2.697 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.314 15.802 -1.062 1.00 0.00 C ATOM 312 CZ TYR A 24 -0.975 15.776 -1.386 1.00 0.00 C ATOM 313 OH TYR A 24 -0.027 15.888 -0.395 1.00 0.00 O ATOM 0 H TYR A 24 -4.336 18.075 -4.393 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.700 16.260 -6.075 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.908 15.628 -4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.900 14.472 -4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.220 15.426 -4.716 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.313 15.708 -1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.468 15.614 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.621 15.910 -0.032 1.00 0.00 H new ATOM 0 HH TYR A 24 0.733 16.411 -0.727 1.00 0.00 H new ATOM 323 N GLY A 25 -5.730 17.302 -6.537 1.00 0.00 N ATOM 324 CA GLY A 25 -6.669 17.529 -7.612 1.00 0.00 C ATOM 325 C GLY A 25 -8.037 16.918 -7.383 1.00 0.00 C ATOM 326 O GLY A 25 -8.747 16.616 -8.347 1.00 0.00 O ATOM 0 H GLY A 25 -5.917 17.834 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.783 18.603 -7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.253 17.124 -8.534 1.00 0.00 H new ATOM 330 N PHE A 26 -8.441 16.750 -6.128 1.00 0.00 N ATOM 331 CA PHE A 26 -9.763 16.217 -5.849 1.00 0.00 C ATOM 332 C PHE A 26 -10.424 16.982 -4.719 1.00 0.00 C ATOM 333 O PHE A 26 -9.761 17.622 -3.907 1.00 0.00 O ATOM 334 CB PHE A 26 -9.710 14.715 -5.533 1.00 0.00 C ATOM 335 CG PHE A 26 -9.009 14.355 -4.251 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.627 14.351 -4.179 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.736 14.001 -3.124 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.983 14.003 -3.008 1.00 0.00 C ATOM 339 CE2 PHE A 26 -9.095 13.649 -1.953 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.717 13.651 -1.895 1.00 0.00 C ATOM 0 H PHE A 26 -7.882 16.971 -5.304 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.366 16.343 -6.748 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.730 14.333 -5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.212 14.204 -6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.046 14.623 -5.048 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.815 14.001 -3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.904 14.007 -2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.672 13.372 -1.083 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.214 13.377 -0.979 1.00 0.00 H new ATOM 350 N HIS A 27 -11.738 16.936 -4.688 1.00 0.00 N ATOM 351 CA HIS A 27 -12.491 17.600 -3.643 1.00 0.00 C ATOM 352 C HIS A 27 -13.130 16.556 -2.748 1.00 0.00 C ATOM 353 O HIS A 27 -13.982 15.787 -3.201 1.00 0.00 O ATOM 354 CB HIS A 27 -13.579 18.507 -4.237 1.00 0.00 C ATOM 355 CG HIS A 27 -13.056 19.595 -5.130 1.00 0.00 C ATOM 356 ND1 HIS A 27 -13.002 20.922 -4.756 1.00 0.00 N ATOM 357 CD2 HIS A 27 -12.576 19.548 -6.395 1.00 0.00 C ATOM 358 CE1 HIS A 27 -12.515 21.638 -5.753 1.00 0.00 C ATOM 359 NE2 HIS A 27 -12.247 20.827 -6.756 1.00 0.00 N ATOM 0 H HIS A 27 -12.309 16.445 -5.376 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.809 18.222 -3.064 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.278 17.893 -4.804 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.142 18.961 -3.422 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.472 18.664 -7.007 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.362 22.707 -5.747 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.857 21.107 -7.656 1.00 0.00 H new ATOM 368 N LEU A 28 -12.723 16.518 -1.488 1.00 0.00 N ATOM 369 CA LEU A 28 -13.290 15.571 -0.548 1.00 0.00 C ATOM 370 C LEU A 28 -14.227 16.318 0.378 1.00 0.00 C ATOM 371 O LEU A 28 -13.818 17.260 1.055 1.00 0.00 O ATOM 372 CB LEU A 28 -12.178 14.856 0.239 1.00 0.00 C ATOM 373 CG LEU A 28 -12.594 13.566 0.968 1.00 0.00 C ATOM 374 CD1 LEU A 28 -11.374 12.722 1.298 1.00 0.00 C ATOM 375 CD2 LEU A 28 -13.362 13.876 2.244 1.00 0.00 C ATOM 0 H LEU A 28 -12.006 17.129 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.848 14.803 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.368 14.616 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.775 15.552 0.974 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.247 13.006 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.688 11.814 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.856 12.456 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.702 13.290 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.642 12.944 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.734 14.465 2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.261 14.441 1.999 1.00 0.00 H new ATOM 387 N HIS A 29 -15.483 15.912 0.397 1.00 0.00 N ATOM 388 CA HIS A 29 -16.472 16.596 1.205 1.00 0.00 C ATOM 389 C HIS A 29 -16.854 15.722 2.386 1.00 0.00 C ATOM 390 O HIS A 29 -16.936 14.497 2.261 1.00 0.00 O ATOM 391 CB HIS A 29 -17.708 16.993 0.372 1.00 0.00 C ATOM 392 CG HIS A 29 -18.743 15.918 0.196 1.00 0.00 C ATOM 393 ND1 HIS A 29 -20.054 16.078 0.585 1.00 0.00 N ATOM 394 CD2 HIS A 29 -18.666 14.677 -0.343 1.00 0.00 C ATOM 395 CE1 HIS A 29 -20.735 14.988 0.300 1.00 0.00 C ATOM 396 NE2 HIS A 29 -19.917 14.120 -0.264 1.00 0.00 N ATOM 0 H HIS A 29 -15.840 15.118 -0.134 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.038 17.523 1.580 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -18.181 17.854 0.844 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.372 17.314 -0.614 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -17.783 14.213 -0.758 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.786 14.831 0.495 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -20.173 13.187 -0.588 1.00 0.00 H new ATOM 405 N GLY A 30 -17.052 16.343 3.528 1.00 0.00 N ATOM 406 CA GLY A 30 -17.393 15.598 4.709 1.00 0.00 C ATOM 407 C GLY A 30 -18.685 16.060 5.327 1.00 0.00 C ATOM 408 O GLY A 30 -19.003 17.250 5.305 1.00 0.00 O ATOM 0 H GLY A 30 -16.983 17.352 3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.472 14.540 4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.590 15.693 5.440 1.00 0.00 H new ATOM 412 N GLU A 31 -19.429 15.116 5.871 1.00 0.00 N ATOM 413 CA GLU A 31 -20.647 15.433 6.583 1.00 0.00 C ATOM 414 C GLU A 31 -20.290 15.846 8.001 1.00 0.00 C ATOM 415 O GLU A 31 -19.301 15.365 8.560 1.00 0.00 O ATOM 416 CB GLU A 31 -21.591 14.228 6.579 1.00 0.00 C ATOM 417 CG GLU A 31 -21.957 13.766 5.176 1.00 0.00 C ATOM 418 CD GLU A 31 -22.987 12.660 5.167 1.00 0.00 C ATOM 419 OE1 GLU A 31 -24.188 12.963 5.326 1.00 0.00 O ATOM 420 OE2 GLU A 31 -22.610 11.482 4.988 1.00 0.00 O ATOM 0 H GLU A 31 -19.208 14.121 5.832 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.164 16.257 6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.122 13.404 7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.502 14.485 7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -22.339 14.615 4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -21.057 13.421 4.667 1.00 0.00 H new ATOM 427 N LYS A 32 -21.067 16.754 8.573 1.00 0.00 N ATOM 428 CA LYS A 32 -20.722 17.332 9.864 1.00 0.00 C ATOM 429 C LYS A 32 -21.000 16.363 11.007 1.00 0.00 C ATOM 430 O LYS A 32 -22.048 16.412 11.654 1.00 0.00 O ATOM 431 CB LYS A 32 -21.456 18.657 10.083 1.00 0.00 C ATOM 432 CG LYS A 32 -21.162 19.694 9.007 1.00 0.00 C ATOM 433 CD LYS A 32 -19.666 19.919 8.799 1.00 0.00 C ATOM 434 CE LYS A 32 -19.037 20.784 9.886 1.00 0.00 C ATOM 435 NZ LYS A 32 -18.980 20.104 11.209 1.00 0.00 N ATOM 0 H LYS A 32 -21.935 17.105 8.167 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.650 17.531 9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.529 18.469 10.113 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.176 19.063 11.055 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -21.611 19.374 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -21.633 20.638 9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -19.159 18.954 8.772 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.506 20.391 7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -18.028 21.062 9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.607 21.708 9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -18.082 20.335 11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -19.773 20.426 11.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -19.045 19.075 11.073 1.00 0.00 H new ATOM 449 N GLY A 33 -20.047 15.472 11.221 1.00 0.00 N ATOM 450 CA GLY A 33 -20.084 14.553 12.336 1.00 0.00 C ATOM 451 C GLY A 33 -18.684 14.097 12.678 1.00 0.00 C ATOM 452 O GLY A 33 -17.791 14.925 12.862 1.00 0.00 O ATOM 0 H GLY A 33 -19.227 15.369 10.624 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.539 15.036 13.201 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.705 13.692 12.088 1.00 0.00 H new ATOM 456 N LYS A 34 -18.480 12.791 12.735 1.00 0.00 N ATOM 457 CA LYS A 34 -17.151 12.244 12.932 1.00 0.00 C ATOM 458 C LYS A 34 -16.664 11.631 11.630 1.00 0.00 C ATOM 459 O LYS A 34 -15.784 12.172 10.967 1.00 0.00 O ATOM 460 CB LYS A 34 -17.150 11.191 14.043 1.00 0.00 C ATOM 461 CG LYS A 34 -17.458 11.747 15.423 1.00 0.00 C ATOM 462 CD LYS A 34 -16.338 12.639 15.937 1.00 0.00 C ATOM 463 CE LYS A 34 -16.641 13.156 17.332 1.00 0.00 C ATOM 464 NZ LYS A 34 -15.547 14.007 17.872 1.00 0.00 N ATOM 0 H LYS A 34 -19.218 12.092 12.648 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.481 13.049 13.233 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.883 10.422 13.801 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.175 10.705 14.068 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.387 12.315 15.386 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.615 10.924 16.120 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.402 12.081 15.949 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.199 13.480 15.257 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.567 13.730 17.310 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.805 12.312 18.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.801 14.335 18.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.668 13.454 17.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.406 14.828 17.249 1.00 0.00 H new ATOM 478 N LEU A 35 -17.279 10.522 11.249 1.00 0.00 N ATOM 479 CA LEU A 35 -16.906 9.828 10.034 1.00 0.00 C ATOM 480 C LEU A 35 -17.801 10.248 8.878 1.00 0.00 C ATOM 481 O LEU A 35 -19.007 10.441 9.041 1.00 0.00 O ATOM 482 CB LEU A 35 -16.939 8.306 10.213 1.00 0.00 C ATOM 483 CG LEU A 35 -18.226 7.717 10.795 1.00 0.00 C ATOM 484 CD1 LEU A 35 -18.455 6.323 10.240 1.00 0.00 C ATOM 485 CD2 LEU A 35 -18.150 7.659 12.315 1.00 0.00 C ATOM 0 H LEU A 35 -18.041 10.085 11.768 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.879 10.109 9.802 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.760 7.844 9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.109 8.020 10.860 1.00 0.00 H new ATOM 0 HG LEU A 35 -19.059 8.360 10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -19.373 5.911 10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.542 6.373 9.155 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -17.615 5.682 10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.074 7.237 12.710 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.309 7.033 12.614 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -18.012 8.665 12.711 1.00 0.00 H new ATOM 497 N GLY A 36 -17.193 10.399 7.716 1.00 0.00 N ATOM 498 CA GLY A 36 -17.910 10.855 6.547 1.00 0.00 C ATOM 499 C GLY A 36 -16.959 11.331 5.474 1.00 0.00 C ATOM 500 O GLY A 36 -16.983 12.497 5.080 1.00 0.00 O ATOM 0 H GLY A 36 -16.203 10.211 7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -18.527 10.046 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -18.585 11.665 6.824 1.00 0.00 H new ATOM 504 N GLN A 37 -16.100 10.429 5.020 1.00 0.00 N ATOM 505 CA GLN A 37 -15.089 10.755 4.027 1.00 0.00 C ATOM 506 C GLN A 37 -15.566 10.331 2.646 1.00 0.00 C ATOM 507 O GLN A 37 -15.730 9.139 2.380 1.00 0.00 O ATOM 508 CB GLN A 37 -13.765 10.039 4.346 1.00 0.00 C ATOM 509 CG GLN A 37 -13.165 10.352 5.717 1.00 0.00 C ATOM 510 CD GLN A 37 -13.971 9.795 6.885 1.00 0.00 C ATOM 511 OE1 GLN A 37 -14.679 8.796 6.755 1.00 0.00 O ATOM 512 NE2 GLN A 37 -13.864 10.437 8.037 1.00 0.00 N ATOM 0 H GLN A 37 -16.085 9.457 5.328 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.924 11.832 4.047 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.927 8.963 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.035 10.302 3.580 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.153 9.948 5.761 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.082 11.433 5.828 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.268 11.262 8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.378 10.107 8.854 1.00 0.00 H new ATOM 521 N TYR A 38 -15.775 11.301 1.765 1.00 0.00 N ATOM 522 CA TYR A 38 -16.254 11.013 0.419 1.00 0.00 C ATOM 523 C TYR A 38 -15.643 11.957 -0.601 1.00 0.00 C ATOM 524 O TYR A 38 -15.596 13.172 -0.393 1.00 0.00 O ATOM 525 CB TYR A 38 -17.782 11.119 0.355 1.00 0.00 C ATOM 526 CG TYR A 38 -18.499 10.028 1.114 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.698 8.783 0.537 1.00 0.00 C ATOM 528 CD2 TYR A 38 -18.963 10.237 2.407 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.342 7.775 1.226 1.00 0.00 C ATOM 530 CE2 TYR A 38 -19.609 9.232 3.101 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.791 8.003 2.506 1.00 0.00 C ATOM 532 OH TYR A 38 -20.426 6.995 3.193 1.00 0.00 O ATOM 0 H TYR A 38 -15.621 12.291 1.957 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.950 9.994 0.178 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.087 12.087 0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -18.096 11.090 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -18.344 8.599 -0.467 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -18.817 11.199 2.876 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.493 6.811 0.762 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -19.969 9.409 4.104 1.00 0.00 H new ATOM 0 HH TYR A 38 -20.681 7.316 4.083 1.00 0.00 H new ATOM 542 N ILE A 39 -15.178 11.391 -1.704 1.00 0.00 N ATOM 543 CA ILE A 39 -14.692 12.189 -2.817 1.00 0.00 C ATOM 544 C ILE A 39 -15.885 12.686 -3.616 1.00 0.00 C ATOM 545 O ILE A 39 -16.824 11.933 -3.868 1.00 0.00 O ATOM 546 CB ILE A 39 -13.764 11.382 -3.754 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.757 10.552 -2.950 1.00 0.00 C ATOM 548 CG2 ILE A 39 -13.033 12.322 -4.706 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.839 11.377 -2.079 1.00 0.00 C ATOM 0 H ILE A 39 -15.127 10.383 -1.852 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.113 13.018 -2.409 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.380 10.696 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.302 9.848 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.154 9.963 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.382 11.743 -5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.760 12.868 -5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.434 13.028 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.157 10.718 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.266 12.063 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.431 11.946 -1.363 1.00 0.00 H new ATOM 561 N ARG A 40 -15.873 13.954 -3.984 1.00 0.00 N ATOM 562 CA ARG A 40 -16.989 14.522 -4.722 1.00 0.00 C ATOM 563 C ARG A 40 -16.642 14.725 -6.190 1.00 0.00 C ATOM 564 O ARG A 40 -17.440 14.413 -7.071 1.00 0.00 O ATOM 565 CB ARG A 40 -17.428 15.848 -4.105 1.00 0.00 C ATOM 566 CG ARG A 40 -18.665 16.426 -4.769 1.00 0.00 C ATOM 567 CD ARG A 40 -19.035 17.776 -4.193 1.00 0.00 C ATOM 568 NE ARG A 40 -20.206 18.340 -4.857 1.00 0.00 N ATOM 569 CZ ARG A 40 -20.495 19.638 -4.887 1.00 0.00 C ATOM 570 NH1 ARG A 40 -19.691 20.514 -4.300 1.00 0.00 N ATOM 571 NH2 ARG A 40 -21.585 20.063 -5.508 1.00 0.00 N ATOM 0 H ARG A 40 -15.113 14.605 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.813 13.811 -4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.626 15.701 -3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.612 16.566 -4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.490 16.524 -5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.500 15.737 -4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.234 17.675 -3.126 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.193 18.460 -4.297 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.843 17.698 -5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.848 20.193 -3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.915 21.509 -4.325 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -22.205 19.394 -5.965 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.804 21.059 -5.529 1.00 0.00 H new ATOM 585 N LEU A 41 -15.457 15.255 -6.453 1.00 0.00 N ATOM 586 CA LEU A 41 -15.053 15.546 -7.821 1.00 0.00 C ATOM 587 C LEU A 41 -13.547 15.396 -7.988 1.00 0.00 C ATOM 588 O LEU A 41 -12.776 15.752 -7.093 1.00 0.00 O ATOM 589 CB LEU A 41 -15.484 16.965 -8.209 1.00 0.00 C ATOM 590 CG LEU A 41 -15.212 17.359 -9.665 1.00 0.00 C ATOM 591 CD1 LEU A 41 -16.000 16.474 -10.619 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.550 18.824 -9.893 1.00 0.00 C ATOM 0 H LEU A 41 -14.763 15.491 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.544 14.830 -8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.552 17.068 -8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.972 17.673 -7.557 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.150 17.215 -9.865 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.792 16.771 -11.647 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.708 15.434 -10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.066 16.582 -10.419 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.351 19.086 -10.932 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.604 18.993 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.938 19.445 -9.239 1.00 0.00 H new ATOM 604 N VAL A 42 -13.146 14.852 -9.128 1.00 0.00 N ATOM 605 CA VAL A 42 -11.739 14.697 -9.470 1.00 0.00 C ATOM 606 C VAL A 42 -11.459 15.397 -10.795 1.00 0.00 C ATOM 607 O VAL A 42 -12.202 15.223 -11.763 1.00 0.00 O ATOM 608 CB VAL A 42 -11.344 13.208 -9.590 1.00 0.00 C ATOM 609 CG1 VAL A 42 -9.874 13.061 -9.952 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.649 12.464 -8.300 1.00 0.00 C ATOM 0 H VAL A 42 -13.787 14.506 -9.842 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.148 15.144 -8.671 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.938 12.768 -10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.623 12.003 -10.030 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.684 13.551 -10.907 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.261 13.524 -9.179 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.363 11.418 -8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.087 12.912 -7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.716 12.528 -8.086 1.00 0.00 H new ATOM 620 N GLU A 43 -10.400 16.189 -10.833 1.00 0.00 N ATOM 621 CA GLU A 43 -10.052 16.940 -12.022 1.00 0.00 C ATOM 622 C GLU A 43 -9.257 16.064 -12.990 1.00 0.00 C ATOM 623 O GLU A 43 -8.359 15.331 -12.585 1.00 0.00 O ATOM 624 CB GLU A 43 -9.249 18.175 -11.617 1.00 0.00 C ATOM 625 CG GLU A 43 -8.822 19.036 -12.786 1.00 0.00 C ATOM 626 CD GLU A 43 -8.149 20.318 -12.351 1.00 0.00 C ATOM 627 OE1 GLU A 43 -8.847 21.218 -11.837 1.00 0.00 O ATOM 628 OE2 GLU A 43 -6.925 20.441 -12.536 1.00 0.00 O ATOM 0 H GLU A 43 -9.764 16.327 -10.047 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.961 17.259 -12.532 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.847 18.778 -10.933 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.362 17.857 -11.069 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.140 18.469 -13.419 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.695 19.276 -13.393 1.00 0.00 H new ATOM 635 N PRO A 44 -9.598 16.126 -14.291 1.00 0.00 N ATOM 636 CA PRO A 44 -8.929 15.336 -15.337 1.00 0.00 C ATOM 637 C PRO A 44 -7.446 15.664 -15.458 1.00 0.00 C ATOM 638 O PRO A 44 -6.663 14.884 -15.998 1.00 0.00 O ATOM 639 CB PRO A 44 -9.662 15.743 -16.620 1.00 0.00 C ATOM 640 CG PRO A 44 -10.304 17.048 -16.297 1.00 0.00 C ATOM 641 CD PRO A 44 -10.674 16.964 -14.848 1.00 0.00 C ATOM 0 HA PRO A 44 -8.971 14.268 -15.121 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.970 15.839 -17.457 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.404 14.997 -16.905 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.621 17.877 -16.480 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.184 17.217 -16.918 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.705 17.948 -14.380 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.655 16.512 -14.706 1.00 0.00 H new ATOM 649 N GLY A 45 -7.070 16.831 -14.957 1.00 0.00 N ATOM 650 CA GLY A 45 -5.685 17.250 -15.002 1.00 0.00 C ATOM 651 C GLY A 45 -5.011 17.166 -13.647 1.00 0.00 C ATOM 652 O GLY A 45 -4.250 18.057 -13.269 1.00 0.00 O ATOM 0 H GLY A 45 -7.704 17.499 -14.518 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.143 16.627 -15.714 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.630 18.275 -15.369 1.00 0.00 H new ATOM 656 N SER A 46 -5.282 16.098 -12.911 1.00 0.00 N ATOM 657 CA SER A 46 -4.708 15.931 -11.585 1.00 0.00 C ATOM 658 C SER A 46 -4.134 14.528 -11.421 1.00 0.00 C ATOM 659 O SER A 46 -4.555 13.592 -12.100 1.00 0.00 O ATOM 660 CB SER A 46 -5.779 16.182 -10.523 1.00 0.00 C ATOM 661 OG SER A 46 -6.776 15.176 -10.552 1.00 0.00 O ATOM 0 H SER A 46 -5.893 15.337 -13.208 1.00 0.00 H new ATOM 0 HA SER A 46 -3.900 16.652 -11.462 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.317 16.211 -9.536 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.238 17.157 -10.689 1.00 0.00 H new ATOM 0 HG SER A 46 -7.540 15.488 -11.081 1.00 0.00 H new ATOM 667 N PRO A 47 -3.140 14.369 -10.531 1.00 0.00 N ATOM 668 CA PRO A 47 -2.570 13.060 -10.195 1.00 0.00 C ATOM 669 C PRO A 47 -3.580 12.142 -9.507 1.00 0.00 C ATOM 670 O PRO A 47 -3.346 10.943 -9.362 1.00 0.00 O ATOM 671 CB PRO A 47 -1.415 13.387 -9.242 1.00 0.00 C ATOM 672 CG PRO A 47 -1.151 14.843 -9.429 1.00 0.00 C ATOM 673 CD PRO A 47 -2.466 15.457 -9.802 1.00 0.00 C ATOM 0 HA PRO A 47 -2.256 12.523 -11.090 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.683 13.165 -8.209 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.531 12.794 -9.477 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.758 15.289 -8.515 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.408 15.008 -10.209 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.032 15.766 -8.923 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.337 16.342 -10.425 1.00 0.00 H new ATOM 681 N ALA A 48 -4.691 12.713 -9.067 1.00 0.00 N ATOM 682 CA ALA A 48 -5.738 11.941 -8.416 1.00 0.00 C ATOM 683 C ALA A 48 -6.323 10.889 -9.356 1.00 0.00 C ATOM 684 O ALA A 48 -6.457 9.721 -8.985 1.00 0.00 O ATOM 685 CB ALA A 48 -6.832 12.870 -7.911 1.00 0.00 C ATOM 0 H ALA A 48 -4.891 13.710 -9.149 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.295 11.417 -7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.612 12.284 -7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.409 13.575 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.260 13.418 -8.750 1.00 0.00 H new ATOM 691 N GLU A 49 -6.643 11.291 -10.582 1.00 0.00 N ATOM 692 CA GLU A 49 -7.313 10.397 -11.519 1.00 0.00 C ATOM 693 C GLU A 49 -6.394 9.273 -11.998 1.00 0.00 C ATOM 694 O GLU A 49 -6.852 8.154 -12.236 1.00 0.00 O ATOM 695 CB GLU A 49 -7.911 11.184 -12.696 1.00 0.00 C ATOM 696 CG GLU A 49 -6.955 12.148 -13.387 1.00 0.00 C ATOM 697 CD GLU A 49 -6.102 11.488 -14.452 1.00 0.00 C ATOM 698 OE1 GLU A 49 -6.667 11.013 -15.460 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.866 11.447 -14.295 1.00 0.00 O ATOM 0 H GLU A 49 -6.451 12.224 -10.948 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.135 9.920 -10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.282 10.474 -13.435 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.771 11.748 -12.335 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.530 12.955 -13.841 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.304 12.601 -12.639 1.00 0.00 H new ATOM 706 N LYS A 50 -5.105 9.559 -12.113 1.00 0.00 N ATOM 707 CA LYS A 50 -4.140 8.553 -12.546 1.00 0.00 C ATOM 708 C LYS A 50 -3.831 7.570 -11.429 1.00 0.00 C ATOM 709 O LYS A 50 -3.454 6.430 -11.686 1.00 0.00 O ATOM 710 CB LYS A 50 -2.849 9.206 -13.033 1.00 0.00 C ATOM 711 CG LYS A 50 -2.254 10.198 -12.052 1.00 0.00 C ATOM 712 CD LYS A 50 -0.966 10.814 -12.571 1.00 0.00 C ATOM 713 CE LYS A 50 0.147 9.785 -12.684 1.00 0.00 C ATOM 714 NZ LYS A 50 1.450 10.416 -13.018 1.00 0.00 N ATOM 0 H LYS A 50 -4.702 10.475 -11.914 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.591 8.007 -13.374 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.114 8.427 -13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.045 9.716 -13.976 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.978 10.988 -11.852 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.059 9.697 -11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.146 11.263 -13.548 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.652 11.617 -11.904 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.237 9.242 -11.743 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.110 9.054 -13.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.184 9.682 -13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.372 10.913 -13.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.708 11.095 -12.274 1.00 0.00 H new ATOM 728 N ALA A 51 -3.996 8.010 -10.188 1.00 0.00 N ATOM 729 CA ALA A 51 -3.757 7.146 -9.042 1.00 0.00 C ATOM 730 C ALA A 51 -4.855 6.097 -8.922 1.00 0.00 C ATOM 731 O ALA A 51 -4.716 5.112 -8.197 1.00 0.00 O ATOM 732 CB ALA A 51 -3.666 7.968 -7.769 1.00 0.00 C ATOM 0 H ALA A 51 -4.293 8.957 -9.951 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.807 6.632 -9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.487 7.307 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.845 8.680 -7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.601 8.508 -7.617 1.00 0.00 H new ATOM 738 N GLY A 52 -5.941 6.320 -9.646 1.00 0.00 N ATOM 739 CA GLY A 52 -7.056 5.393 -9.625 1.00 0.00 C ATOM 740 C GLY A 52 -8.185 5.861 -8.730 1.00 0.00 C ATOM 741 O GLY A 52 -9.184 5.161 -8.568 1.00 0.00 O ATOM 0 H GLY A 52 -6.072 7.131 -10.251 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.432 5.260 -10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.707 4.418 -9.284 1.00 0.00 H new ATOM 745 N LEU A 53 -8.027 7.050 -8.163 1.00 0.00 N ATOM 746 CA LEU A 53 -9.024 7.617 -7.264 1.00 0.00 C ATOM 747 C LEU A 53 -10.221 8.128 -8.066 1.00 0.00 C ATOM 748 O LEU A 53 -10.051 8.826 -9.071 1.00 0.00 O ATOM 749 CB LEU A 53 -8.383 8.745 -6.441 1.00 0.00 C ATOM 750 CG LEU A 53 -9.254 9.360 -5.342 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.456 9.496 -4.057 1.00 0.00 C ATOM 752 CD2 LEU A 53 -9.775 10.721 -5.772 1.00 0.00 C ATOM 0 H LEU A 53 -7.211 7.644 -8.311 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.384 6.849 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.473 8.359 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.082 9.539 -7.124 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.104 8.700 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.085 9.934 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.116 8.512 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.593 10.139 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.392 11.142 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.935 11.386 -5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.373 10.612 -6.677 1.00 0.00 H new ATOM 764 N LEU A 54 -11.423 7.763 -7.635 1.00 0.00 N ATOM 765 CA LEU A 54 -12.642 8.135 -8.338 1.00 0.00 C ATOM 766 C LEU A 54 -13.402 9.222 -7.582 1.00 0.00 C ATOM 767 O LEU A 54 -13.147 9.477 -6.405 1.00 0.00 O ATOM 768 CB LEU A 54 -13.540 6.911 -8.529 1.00 0.00 C ATOM 769 CG LEU A 54 -12.951 5.799 -9.399 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.883 4.598 -9.429 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.692 6.306 -10.812 1.00 0.00 C ATOM 0 H LEU A 54 -11.578 7.205 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.359 8.528 -9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.776 6.497 -7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.481 7.237 -8.972 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.001 5.489 -8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.449 3.816 -10.052 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.022 4.220 -8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.847 4.896 -9.840 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.273 5.501 -11.416 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.629 6.643 -11.255 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.988 7.137 -10.777 1.00 0.00 H new ATOM 783 N ALA A 55 -14.346 9.852 -8.270 1.00 0.00 N ATOM 784 CA ALA A 55 -15.062 11.002 -7.730 1.00 0.00 C ATOM 785 C ALA A 55 -16.290 10.583 -6.923 1.00 0.00 C ATOM 786 O ALA A 55 -17.352 11.204 -7.019 1.00 0.00 O ATOM 787 CB ALA A 55 -15.468 11.942 -8.857 1.00 0.00 C ATOM 0 H ALA A 55 -14.636 9.583 -9.210 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.386 11.522 -7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.002 12.797 -8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.577 12.289 -9.380 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.116 11.413 -9.556 1.00 0.00 H new ATOM 793 N GLY A 56 -16.148 9.528 -6.133 1.00 0.00 N ATOM 794 CA GLY A 56 -17.237 9.102 -5.276 1.00 0.00 C ATOM 795 C GLY A 56 -16.824 8.053 -4.264 1.00 0.00 C ATOM 796 O GLY A 56 -17.677 7.418 -3.646 1.00 0.00 O ATOM 0 H GLY A 56 -15.302 8.961 -6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.637 9.969 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.043 8.705 -5.893 1.00 0.00 H new ATOM 800 N ASP A 57 -15.524 7.893 -4.073 1.00 0.00 N ATOM 801 CA ASP A 57 -15.006 6.833 -3.216 1.00 0.00 C ATOM 802 C ASP A 57 -15.046 7.231 -1.749 1.00 0.00 C ATOM 803 O ASP A 57 -15.068 8.418 -1.407 1.00 0.00 O ATOM 804 CB ASP A 57 -13.564 6.489 -3.582 1.00 0.00 C ATOM 805 CG ASP A 57 -13.414 5.901 -4.968 1.00 0.00 C ATOM 806 OD1 ASP A 57 -14.281 5.103 -5.377 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.417 6.231 -5.643 1.00 0.00 O ATOM 0 H ASP A 57 -14.808 8.481 -4.498 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.646 5.965 -3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.955 7.390 -3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.172 5.781 -2.852 1.00 0.00 H new ATOM 812 N ARG A 58 -15.060 6.221 -0.889 1.00 0.00 N ATOM 813 CA ARG A 58 -14.898 6.426 0.542 1.00 0.00 C ATOM 814 C ARG A 58 -13.429 6.238 0.893 1.00 0.00 C ATOM 815 O ARG A 58 -12.779 5.335 0.366 1.00 0.00 O ATOM 816 CB ARG A 58 -15.725 5.418 1.354 1.00 0.00 C ATOM 817 CG ARG A 58 -17.175 5.278 0.917 1.00 0.00 C ATOM 818 CD ARG A 58 -17.910 4.233 1.755 1.00 0.00 C ATOM 819 NE ARG A 58 -18.180 4.689 3.126 1.00 0.00 N ATOM 820 CZ ARG A 58 -17.764 4.053 4.232 1.00 0.00 C ATOM 821 NH1 ARG A 58 -17.010 2.963 4.145 1.00 0.00 N ATOM 822 NH2 ARG A 58 -18.115 4.508 5.432 1.00 0.00 N ATOM 0 H ARG A 58 -15.183 5.246 -1.161 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.242 7.431 0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.246 4.441 1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.704 5.714 2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -17.679 6.240 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -17.214 4.996 -0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.852 3.981 1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.316 3.320 1.791 1.00 0.00 H new ATOM 0 HE ARG A 58 -18.720 5.546 3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.741 2.601 3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.700 2.488 4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -18.700 5.340 5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.799 4.025 6.273 1.00 0.00 H new ATOM 836 N LEU A 59 -12.909 7.077 1.771 1.00 0.00 N ATOM 837 CA LEU A 59 -11.521 6.954 2.189 1.00 0.00 C ATOM 838 C LEU A 59 -11.432 6.075 3.432 1.00 0.00 C ATOM 839 O LEU A 59 -11.977 6.410 4.482 1.00 0.00 O ATOM 840 CB LEU A 59 -10.908 8.332 2.460 1.00 0.00 C ATOM 841 CG LEU A 59 -9.398 8.328 2.725 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.644 7.734 1.544 1.00 0.00 C ATOM 843 CD2 LEU A 59 -8.903 9.736 3.011 1.00 0.00 C ATOM 0 H LEU A 59 -13.420 7.845 2.206 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.954 6.488 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.110 8.977 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.411 8.774 3.320 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.209 7.707 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.574 7.741 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.975 6.708 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.842 8.326 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.829 9.713 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.110 10.376 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.415 10.130 3.889 1.00 0.00 H new ATOM 855 N VAL A 60 -10.756 4.944 3.294 1.00 0.00 N ATOM 856 CA VAL A 60 -10.637 3.981 4.382 1.00 0.00 C ATOM 857 C VAL A 60 -9.431 4.300 5.255 1.00 0.00 C ATOM 858 O VAL A 60 -9.538 4.417 6.480 1.00 0.00 O ATOM 859 CB VAL A 60 -10.503 2.542 3.841 1.00 0.00 C ATOM 860 CG1 VAL A 60 -10.358 1.543 4.977 1.00 0.00 C ATOM 861 CG2 VAL A 60 -11.694 2.189 2.964 1.00 0.00 C ATOM 0 H VAL A 60 -10.279 4.669 2.436 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.546 4.052 4.979 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.600 2.492 3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.265 0.537 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.468 1.781 5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.237 1.593 5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.582 1.171 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.611 2.263 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.744 2.880 2.122 1.00 0.00 H new ATOM 871 N GLU A 61 -8.281 4.439 4.625 1.00 0.00 N ATOM 872 CA GLU A 61 -7.066 4.754 5.346 1.00 0.00 C ATOM 873 C GLU A 61 -6.173 5.663 4.514 1.00 0.00 C ATOM 874 O GLU A 61 -6.316 5.747 3.290 1.00 0.00 O ATOM 875 CB GLU A 61 -6.316 3.476 5.724 1.00 0.00 C ATOM 876 CG GLU A 61 -5.725 2.743 4.538 1.00 0.00 C ATOM 877 CD GLU A 61 -4.236 2.533 4.687 1.00 0.00 C ATOM 878 OE1 GLU A 61 -3.838 1.519 5.295 1.00 0.00 O ATOM 879 OE2 GLU A 61 -3.457 3.382 4.203 1.00 0.00 O ATOM 0 H GLU A 61 -8.164 4.339 3.617 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.339 5.278 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.516 3.727 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.998 2.808 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.218 1.777 4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.922 3.309 3.627 1.00 0.00 H new ATOM 886 N VAL A 62 -5.266 6.342 5.190 1.00 0.00 N ATOM 887 CA VAL A 62 -4.326 7.237 4.539 1.00 0.00 C ATOM 888 C VAL A 62 -2.927 7.049 5.121 1.00 0.00 C ATOM 889 O VAL A 62 -2.729 7.157 6.330 1.00 0.00 O ATOM 890 CB VAL A 62 -4.782 8.710 4.680 1.00 0.00 C ATOM 891 CG1 VAL A 62 -5.180 9.003 6.106 1.00 0.00 C ATOM 892 CG2 VAL A 62 -3.694 9.680 4.231 1.00 0.00 C ATOM 0 H VAL A 62 -5.159 6.290 6.203 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.296 6.993 3.477 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.646 8.851 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.498 10.042 6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.001 8.348 6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.328 8.831 6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.050 10.704 4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.803 9.536 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.450 9.494 3.185 1.00 0.00 H new ATOM 902 N ASN A 63 -1.975 6.728 4.256 1.00 0.00 N ATOM 903 CA ASN A 63 -0.575 6.558 4.654 1.00 0.00 C ATOM 904 C ASN A 63 -0.411 5.480 5.724 1.00 0.00 C ATOM 905 O ASN A 63 0.463 5.580 6.591 1.00 0.00 O ATOM 906 CB ASN A 63 0.010 7.883 5.155 1.00 0.00 C ATOM 907 CG ASN A 63 0.173 8.903 4.047 1.00 0.00 C ATOM 908 OD1 ASN A 63 0.449 8.556 2.898 1.00 0.00 O ATOM 909 ND2 ASN A 63 0.001 10.170 4.378 1.00 0.00 N ATOM 0 H ASN A 63 -2.145 6.578 3.262 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.028 6.236 3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.639 8.293 5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.979 7.696 5.618 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.096 10.899 3.671 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.227 10.419 5.340 1.00 0.00 H new ATOM 916 N GLY A 64 -1.264 4.467 5.678 1.00 0.00 N ATOM 917 CA GLY A 64 -1.112 3.335 6.568 1.00 0.00 C ATOM 918 C GLY A 64 -1.935 3.448 7.835 1.00 0.00 C ATOM 919 O GLY A 64 -2.090 2.467 8.562 1.00 0.00 O ATOM 0 H GLY A 64 -2.058 4.409 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.397 2.426 6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.060 3.232 6.835 1.00 0.00 H new ATOM 923 N GLU A 65 -2.466 4.631 8.116 1.00 0.00 N ATOM 924 CA GLU A 65 -3.254 4.819 9.322 1.00 0.00 C ATOM 925 C GLU A 65 -4.742 4.822 8.989 1.00 0.00 C ATOM 926 O GLU A 65 -5.171 5.401 7.986 1.00 0.00 O ATOM 927 CB GLU A 65 -2.836 6.098 10.063 1.00 0.00 C ATOM 928 CG GLU A 65 -3.076 7.389 9.296 1.00 0.00 C ATOM 929 CD GLU A 65 -2.408 8.582 9.949 1.00 0.00 C ATOM 930 OE1 GLU A 65 -2.781 8.934 11.087 1.00 0.00 O ATOM 931 OE2 GLU A 65 -1.485 9.161 9.339 1.00 0.00 O ATOM 0 H GLU A 65 -2.367 5.462 7.533 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.063 3.982 9.994 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.378 6.147 11.007 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.776 6.029 10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.702 7.279 8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.148 7.571 9.223 1.00 0.00 H new ATOM 938 N ASN A 66 -5.518 4.157 9.832 1.00 0.00 N ATOM 939 CA ASN A 66 -6.941 3.955 9.590 1.00 0.00 C ATOM 940 C ASN A 66 -7.731 5.198 9.986 1.00 0.00 C ATOM 941 O ASN A 66 -7.737 5.592 11.151 1.00 0.00 O ATOM 942 CB ASN A 66 -7.426 2.741 10.385 1.00 0.00 C ATOM 943 CG ASN A 66 -8.816 2.278 9.991 1.00 0.00 C ATOM 944 OD1 ASN A 66 -9.141 2.362 8.711 1.00 0.00 O flip ATOM 945 ND2 ASN A 66 -9.584 1.820 10.832 1.00 0.00 N flip ATOM 0 H ASN A 66 -5.181 3.743 10.701 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.100 3.775 8.527 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.724 1.919 10.243 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.420 2.986 11.447 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.299 1.771 11.810 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.507 1.488 10.553 1.00 0.00 H new ATOM 952 N VAL A 67 -8.407 5.802 9.019 1.00 0.00 N ATOM 953 CA VAL A 67 -9.086 7.076 9.239 1.00 0.00 C ATOM 954 C VAL A 67 -10.592 6.949 9.019 1.00 0.00 C ATOM 955 O VAL A 67 -11.239 7.856 8.499 1.00 0.00 O ATOM 956 CB VAL A 67 -8.504 8.172 8.317 1.00 0.00 C ATOM 957 CG1 VAL A 67 -7.065 8.469 8.701 1.00 0.00 C ATOM 958 CG2 VAL A 67 -8.593 7.759 6.855 1.00 0.00 C ATOM 0 H VAL A 67 -8.501 5.432 8.073 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.918 7.363 10.277 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.096 9.078 8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.666 9.242 8.045 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.028 8.815 9.734 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.467 7.563 8.600 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.177 8.548 6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.030 6.839 6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.636 7.595 6.586 1.00 0.00 H new ATOM 968 N GLU A 68 -11.145 5.822 9.448 1.00 0.00 N ATOM 969 CA GLU A 68 -12.561 5.540 9.249 1.00 0.00 C ATOM 970 C GLU A 68 -13.438 6.157 10.338 1.00 0.00 C ATOM 971 O GLU A 68 -14.655 6.228 10.180 1.00 0.00 O ATOM 972 CB GLU A 68 -12.806 4.030 9.208 1.00 0.00 C ATOM 973 CG GLU A 68 -12.253 3.342 7.972 1.00 0.00 C ATOM 974 CD GLU A 68 -12.498 1.847 7.990 1.00 0.00 C ATOM 975 OE1 GLU A 68 -13.629 1.421 7.672 1.00 0.00 O ATOM 976 OE2 GLU A 68 -11.561 1.094 8.337 1.00 0.00 O ATOM 0 H GLU A 68 -10.634 5.087 9.937 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.836 5.991 8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.359 3.577 10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.879 3.846 9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.713 3.773 7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.182 3.532 7.901 1.00 0.00 H new ATOM 983 N LYS A 69 -12.842 6.583 11.446 1.00 0.00 N ATOM 984 CA LYS A 69 -13.635 7.094 12.560 1.00 0.00 C ATOM 985 C LYS A 69 -13.222 8.500 12.992 1.00 0.00 C ATOM 986 O LYS A 69 -13.841 9.072 13.893 1.00 0.00 O ATOM 987 CB LYS A 69 -13.549 6.148 13.758 1.00 0.00 C ATOM 988 CG LYS A 69 -14.185 4.785 13.521 1.00 0.00 C ATOM 989 CD LYS A 69 -15.696 4.893 13.338 1.00 0.00 C ATOM 990 CE LYS A 69 -16.385 5.479 14.569 1.00 0.00 C ATOM 991 NZ LYS A 69 -16.308 4.576 15.747 1.00 0.00 N ATOM 0 H LYS A 69 -11.833 6.586 11.597 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.663 7.151 12.202 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.501 6.007 14.021 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.032 6.619 14.614 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.743 4.326 12.637 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.966 4.129 14.364 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.912 5.517 12.471 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.107 3.905 13.129 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.926 6.436 14.818 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -17.431 5.679 14.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.847 4.987 16.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.709 3.649 15.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.314 4.459 16.031 1.00 0.00 H new ATOM 1005 N GLU A 70 -12.192 9.063 12.378 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.769 10.407 12.749 1.00 0.00 C ATOM 1007 C GLU A 70 -12.473 11.445 11.886 1.00 0.00 C ATOM 1008 O GLU A 70 -13.030 11.110 10.840 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.246 10.562 12.690 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.617 10.254 11.346 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.107 10.318 11.419 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -7.540 11.413 11.232 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -7.480 9.278 11.707 1.00 0.00 O ATOM 0 H GLU A 70 -11.644 8.624 11.638 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.060 10.575 13.786 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.990 11.585 12.967 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.801 9.908 13.440 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.926 9.262 11.016 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.978 10.964 10.602 1.00 0.00 H new ATOM 1020 N THR A 71 -12.457 12.697 12.334 1.00 0.00 N ATOM 1021 CA THR A 71 -13.285 13.734 11.730 1.00 0.00 C ATOM 1022 C THR A 71 -12.856 14.056 10.306 1.00 0.00 C ATOM 1023 O THR A 71 -11.752 13.708 9.882 1.00 0.00 O ATOM 1024 CB THR A 71 -13.276 15.039 12.558 1.00 0.00 C ATOM 1025 OG1 THR A 71 -12.001 15.688 12.458 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.577 14.757 14.017 1.00 0.00 C ATOM 0 H THR A 71 -11.880 13.017 13.112 1.00 0.00 H new ATOM 0 HA THR A 71 -14.296 13.327 11.713 1.00 0.00 H new ATOM 0 HB THR A 71 -14.050 15.692 12.155 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.012 16.513 12.986 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.565 15.691 14.578 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.560 14.295 14.103 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.822 14.082 14.420 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.730 14.730 9.572 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.420 15.150 8.217 1.00 0.00 C ATOM 1036 C HIS A 72 -12.156 16.007 8.202 1.00 0.00 C ATOM 1037 O HIS A 72 -11.281 15.819 7.357 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.601 15.925 7.622 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.298 16.586 6.313 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.071 15.887 5.150 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -14.164 17.894 5.994 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -13.811 16.734 4.176 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -13.863 17.959 4.659 1.00 0.00 N ATOM 0 H HIS A 72 -14.660 14.997 9.895 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.242 14.264 7.607 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.440 15.242 7.487 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.920 16.685 8.336 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -14.274 18.732 6.667 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.592 16.469 3.152 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.705 18.815 4.127 1.00 0.00 H new ATOM 1052 N GLN A 73 -12.070 16.931 9.150 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.926 17.827 9.250 1.00 0.00 C ATOM 1054 C GLN A 73 -9.645 17.041 9.514 1.00 0.00 C ATOM 1055 O GLN A 73 -8.610 17.311 8.901 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.155 18.852 10.360 1.00 0.00 C ATOM 1057 CG GLN A 73 -10.102 19.947 10.412 1.00 0.00 C ATOM 1058 CD GLN A 73 -10.427 21.001 11.450 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -11.595 21.252 11.745 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -9.403 21.635 11.997 1.00 0.00 N ATOM 0 H GLN A 73 -12.783 17.080 9.864 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.817 18.352 8.301 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.135 19.310 10.223 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.176 18.336 11.320 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.131 19.505 10.636 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.020 20.417 9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.450 21.396 11.724 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.566 22.363 12.692 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.725 16.063 10.413 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.573 15.226 10.734 1.00 0.00 C ATOM 1071 C GLN A 74 -8.088 14.480 9.496 1.00 0.00 C ATOM 1072 O GLN A 74 -6.898 14.475 9.189 1.00 0.00 O ATOM 1073 CB GLN A 74 -8.917 14.227 11.840 1.00 0.00 C ATOM 1074 CG GLN A 74 -9.195 14.877 13.185 1.00 0.00 C ATOM 1075 CD GLN A 74 -8.015 15.669 13.716 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.857 15.340 13.458 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -8.303 16.723 14.461 1.00 0.00 N ATOM 0 H GLN A 74 -10.573 15.831 10.930 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.775 15.878 11.088 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.791 13.650 11.538 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.093 13.522 11.950 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -10.057 15.538 13.092 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.462 14.105 13.907 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.276 16.962 14.652 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.552 17.297 14.845 1.00 0.00 H new ATOM 1086 N VAL A 75 -9.030 13.878 8.775 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.715 13.102 7.578 1.00 0.00 C ATOM 1088 C VAL A 75 -8.004 13.947 6.519 1.00 0.00 C ATOM 1089 O VAL A 75 -7.021 13.508 5.920 1.00 0.00 O ATOM 1090 CB VAL A 75 -9.989 12.473 6.974 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.685 11.778 5.656 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.606 11.492 7.960 1.00 0.00 C ATOM 0 H VAL A 75 -10.024 13.913 9.001 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.037 12.307 7.889 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.703 13.273 6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.601 11.344 5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.284 12.502 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.952 10.989 5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.504 11.054 7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.889 10.702 8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.868 12.016 8.879 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.489 15.161 6.290 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.865 16.048 5.314 1.00 0.00 C ATOM 1104 C VAL A 76 -6.452 16.415 5.766 1.00 0.00 C ATOM 1105 O VAL A 76 -5.533 16.523 4.950 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.692 17.332 5.087 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -8.078 18.197 3.995 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -10.129 16.986 4.733 1.00 0.00 C ATOM 0 H VAL A 76 -9.305 15.552 6.761 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.820 15.511 4.367 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.684 17.901 6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.683 19.094 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.066 18.482 4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.045 17.635 3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.696 17.904 4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.145 16.389 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.577 16.417 5.547 1.00 0.00 H new ATOM 1118 N SER A 77 -6.283 16.583 7.074 1.00 0.00 N ATOM 1119 CA SER A 77 -4.979 16.882 7.651 1.00 0.00 C ATOM 1120 C SER A 77 -4.015 15.722 7.394 1.00 0.00 C ATOM 1121 O SER A 77 -2.827 15.931 7.150 1.00 0.00 O ATOM 1122 CB SER A 77 -5.117 17.140 9.157 1.00 0.00 C ATOM 1123 OG SER A 77 -3.904 17.617 9.719 1.00 0.00 O ATOM 0 H SER A 77 -7.038 16.516 7.757 1.00 0.00 H new ATOM 0 HA SER A 77 -4.578 17.779 7.180 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.910 17.867 9.331 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.414 16.219 9.659 1.00 0.00 H new ATOM 0 HG SER A 77 -4.027 17.773 10.679 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.543 14.499 7.445 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.760 13.297 7.174 1.00 0.00 C ATOM 1131 C ARG A 78 -3.184 13.336 5.765 1.00 0.00 C ATOM 1132 O ARG A 78 -2.019 13.009 5.545 1.00 0.00 O ATOM 1133 CB ARG A 78 -4.638 12.057 7.313 1.00 0.00 C ATOM 1134 CG ARG A 78 -5.299 11.915 8.670 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.298 11.539 9.740 1.00 0.00 C ATOM 1136 NE ARG A 78 -4.841 11.734 11.080 1.00 0.00 N ATOM 1137 CZ ARG A 78 -4.100 12.024 12.147 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -2.780 12.118 12.038 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -4.677 12.207 13.324 1.00 0.00 N ATOM 0 H ARG A 78 -5.520 14.316 7.674 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.944 13.257 7.896 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.411 12.085 6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.031 11.172 7.122 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.785 12.853 8.939 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.079 11.156 8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.005 10.497 9.614 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.396 12.140 9.622 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.849 11.643 11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.331 11.968 11.135 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.215 12.340 12.858 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.690 12.126 13.414 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.109 12.429 14.141 1.00 0.00 H new ATOM 1153 N ILE A 79 -4.023 13.737 4.817 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.634 13.800 3.416 1.00 0.00 C ATOM 1155 C ILE A 79 -2.582 14.885 3.195 1.00 0.00 C ATOM 1156 O ILE A 79 -1.575 14.662 2.530 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.859 14.078 2.516 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.973 13.070 2.813 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.467 14.017 1.046 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.255 13.336 2.053 1.00 0.00 C ATOM 0 H ILE A 79 -4.985 14.025 4.997 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.210 12.833 3.147 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.228 15.081 2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.618 12.068 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.186 13.082 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.342 14.215 0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.702 14.766 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.076 13.026 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.997 12.581 2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.634 14.324 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.058 13.294 0.982 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.813 16.053 3.789 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.905 17.186 3.631 1.00 0.00 C ATOM 1174 C ARG A 80 -0.567 16.929 4.320 1.00 0.00 C ATOM 1175 O ARG A 80 0.459 17.490 3.932 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.538 18.460 4.188 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.736 18.945 3.388 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.264 20.261 3.927 1.00 0.00 C ATOM 1179 NE ARG A 80 -3.250 21.315 3.888 1.00 0.00 N ATOM 1180 CZ ARG A 80 -3.383 22.503 4.475 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -4.484 22.796 5.157 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -2.407 23.395 4.382 1.00 0.00 N ATOM 0 H ARG A 80 -3.620 16.240 4.384 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.721 17.313 2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.848 18.281 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.786 19.248 4.213 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.453 19.066 2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.525 18.194 3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.131 20.570 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.604 20.122 4.953 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.386 21.128 3.379 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.234 22.109 5.234 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.579 23.708 5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.558 23.170 3.862 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.504 24.306 4.830 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.585 16.069 5.332 1.00 0.00 N ATOM 1197 CA ALA A 81 0.609 15.758 6.114 1.00 0.00 C ATOM 1198 C ALA A 81 1.641 14.994 5.291 1.00 0.00 C ATOM 1199 O ALA A 81 2.788 14.830 5.712 1.00 0.00 O ATOM 1200 CB ALA A 81 0.227 14.951 7.343 1.00 0.00 C ATOM 0 H ALA A 81 -1.422 15.570 5.633 1.00 0.00 H new ATOM 0 HA ALA A 81 1.061 16.702 6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.122 14.723 7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.464 15.528 7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.252 14.022 7.034 1.00 0.00 H new ATOM 1206 N ALA A 82 1.226 14.525 4.123 1.00 0.00 N ATOM 1207 CA ALA A 82 2.085 13.723 3.267 1.00 0.00 C ATOM 1208 C ALA A 82 3.033 14.581 2.448 1.00 0.00 C ATOM 1209 O ALA A 82 4.019 14.083 1.905 1.00 0.00 O ATOM 1210 CB ALA A 82 1.237 12.879 2.354 1.00 0.00 C ATOM 0 H ALA A 82 0.293 14.688 3.745 1.00 0.00 H new ATOM 0 HA ALA A 82 2.694 13.084 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.881 12.278 1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.603 12.222 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.612 13.525 1.738 1.00 0.00 H new ATOM 1216 N LEU A 83 2.708 15.864 2.363 1.00 0.00 N ATOM 1217 CA LEU A 83 3.520 16.853 1.657 1.00 0.00 C ATOM 1218 C LEU A 83 3.446 16.669 0.140 1.00 0.00 C ATOM 1219 O LEU A 83 2.668 17.347 -0.535 1.00 0.00 O ATOM 1220 CB LEU A 83 4.981 16.815 2.126 1.00 0.00 C ATOM 1221 CG LEU A 83 5.196 17.040 3.623 1.00 0.00 C ATOM 1222 CD1 LEU A 83 6.663 16.865 3.978 1.00 0.00 C ATOM 1223 CD2 LEU A 83 4.708 18.422 4.029 1.00 0.00 C ATOM 0 H LEU A 83 1.865 16.254 2.785 1.00 0.00 H new ATOM 0 HA LEU A 83 3.106 17.832 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.406 15.848 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.540 17.573 1.578 1.00 0.00 H new ATOM 0 HG LEU A 83 4.617 16.298 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.801 17.028 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.981 15.855 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.261 17.586 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.869 18.565 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.260 19.180 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.645 18.512 3.807 1.00 0.00 H new ATOM 1235 N ASN A 84 4.232 15.737 -0.388 1.00 0.00 N ATOM 1236 CA ASN A 84 4.347 15.571 -1.835 1.00 0.00 C ATOM 1237 C ASN A 84 3.687 14.281 -2.314 1.00 0.00 C ATOM 1238 O ASN A 84 3.152 14.230 -3.419 1.00 0.00 O ATOM 1239 CB ASN A 84 5.823 15.592 -2.256 1.00 0.00 C ATOM 1240 CG ASN A 84 6.016 15.468 -3.759 1.00 0.00 C ATOM 1241 OD1 ASN A 84 6.007 16.465 -4.484 1.00 0.00 O ATOM 1242 ND2 ASN A 84 6.213 14.249 -4.241 1.00 0.00 N ATOM 0 H ASN A 84 4.797 15.088 0.160 1.00 0.00 H new ATOM 0 HA ASN A 84 3.824 16.405 -2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.280 16.520 -1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.348 14.776 -1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.363 14.114 -5.241 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.214 13.446 -3.612 1.00 0.00 H new ATOM 1249 N ALA A 85 3.713 13.246 -1.485 1.00 0.00 N ATOM 1250 CA ALA A 85 3.185 11.944 -1.883 1.00 0.00 C ATOM 1251 C ALA A 85 2.421 11.292 -0.741 1.00 0.00 C ATOM 1252 O ALA A 85 2.903 11.241 0.390 1.00 0.00 O ATOM 1253 CB ALA A 85 4.314 11.038 -2.356 1.00 0.00 C ATOM 0 H ALA A 85 4.091 13.280 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 85 2.490 12.097 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.906 10.071 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.814 11.495 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.032 10.899 -1.548 1.00 0.00 H new ATOM 1259 N VAL A 86 1.243 10.769 -1.051 1.00 0.00 N ATOM 1260 CA VAL A 86 0.348 10.230 -0.037 1.00 0.00 C ATOM 1261 C VAL A 86 -0.333 8.950 -0.523 1.00 0.00 C ATOM 1262 O VAL A 86 -0.701 8.839 -1.691 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.714 11.287 0.366 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.401 11.874 -0.855 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.734 10.712 1.337 1.00 0.00 C ATOM 0 H VAL A 86 0.883 10.706 -2.003 1.00 0.00 H new ATOM 0 HA VAL A 86 0.946 9.981 0.839 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.188 12.094 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.139 12.611 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.660 12.354 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.898 11.079 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.462 11.480 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.246 9.870 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.226 10.373 2.240 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.475 7.980 0.375 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.155 6.731 0.062 1.00 0.00 C ATOM 1277 C ARG A 87 -2.625 6.812 0.468 1.00 0.00 C ATOM 1278 O ARG A 87 -2.956 6.988 1.641 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.433 5.546 0.732 1.00 0.00 C ATOM 1280 CG ARG A 87 -1.335 4.535 1.433 1.00 0.00 C ATOM 1281 CD ARG A 87 -0.531 3.376 2.011 1.00 0.00 C ATOM 1282 NE ARG A 87 -1.359 2.481 2.828 1.00 0.00 N ATOM 1283 CZ ARG A 87 -1.156 1.165 2.954 1.00 0.00 C ATOM 1284 NH1 ARG A 87 -0.189 0.557 2.267 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -1.933 0.450 3.761 1.00 0.00 N ATOM 0 H ARG A 87 -0.125 8.038 1.331 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.123 6.564 -1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.149 5.022 -0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.275 5.940 1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.887 5.031 2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.072 4.152 0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.079 2.808 1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.285 3.769 2.618 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.144 2.891 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.405 1.096 1.637 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.043 -0.447 2.371 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.682 0.905 4.283 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.780 -0.554 3.859 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.492 6.732 -0.525 1.00 0.00 N ATOM 1300 CA LEU A 88 -4.932 6.804 -0.318 1.00 0.00 C ATOM 1301 C LEU A 88 -5.559 5.445 -0.593 1.00 0.00 C ATOM 1302 O LEU A 88 -5.349 4.867 -1.662 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.576 7.843 -1.258 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.233 9.321 -1.016 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.627 9.746 0.389 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -3.764 9.588 -1.261 1.00 0.00 C ATOM 0 H LEU A 88 -3.220 6.615 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.108 7.102 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.292 7.594 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.658 7.733 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.807 9.915 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.374 10.796 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.700 9.609 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.090 9.138 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.551 10.642 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.166 8.977 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.516 9.338 -2.292 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.297 4.918 0.370 1.00 0.00 N ATOM 1319 CA LEU A 89 -7.074 3.714 0.127 1.00 0.00 C ATOM 1320 C LEU A 89 -8.545 4.072 -0.018 1.00 0.00 C ATOM 1321 O LEU A 89 -9.154 4.634 0.896 1.00 0.00 O ATOM 1322 CB LEU A 89 -6.899 2.689 1.242 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.590 1.353 0.968 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -6.899 0.613 -0.170 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.623 0.502 2.219 1.00 0.00 C ATOM 0 H LEU A 89 -6.374 5.298 1.314 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.709 3.264 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.835 2.512 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.290 3.106 2.170 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.618 1.556 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.406 -0.335 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.936 1.220 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.860 0.423 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.119 -0.444 2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.604 0.309 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.170 1.027 3.002 1.00 0.00 H new ATOM 1337 N VAL A 90 -9.114 3.724 -1.160 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.462 4.157 -1.505 1.00 0.00 C ATOM 1339 C VAL A 90 -11.319 2.988 -1.983 1.00 0.00 C ATOM 1340 O VAL A 90 -10.801 1.988 -2.485 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.433 5.259 -2.591 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.867 6.558 -2.035 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.625 4.803 -3.798 1.00 0.00 C ATOM 0 H VAL A 90 -8.664 3.142 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.907 4.566 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.459 5.443 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.858 7.316 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.487 6.900 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.850 6.390 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.617 5.592 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.602 4.585 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.076 3.905 -4.220 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.627 3.114 -1.795 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.570 2.081 -2.197 1.00 0.00 C ATOM 1355 C VAL A 91 -14.920 2.705 -2.577 1.00 0.00 C ATOM 1356 O VAL A 91 -15.349 3.690 -1.966 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.751 1.041 -1.064 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.303 1.693 0.195 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.634 -0.114 -1.516 1.00 0.00 C ATOM 0 H VAL A 91 -13.060 3.930 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.169 1.569 -3.072 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.768 0.635 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.420 0.939 0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.613 2.465 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.272 2.143 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.744 -0.829 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.615 0.267 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.176 -0.608 -2.373 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.579 2.136 -3.589 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.891 2.618 -4.035 1.00 0.00 C ATOM 1371 C ASP A 92 -17.927 2.409 -2.938 1.00 0.00 C ATOM 1372 O ASP A 92 -17.883 1.407 -2.232 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.359 1.865 -5.288 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.414 1.982 -6.462 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -15.506 1.129 -6.579 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -16.598 2.891 -7.294 1.00 0.00 O ATOM 0 H ASP A 92 -15.225 1.338 -4.117 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.790 3.679 -4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.486 0.811 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -18.338 2.243 -5.583 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.892 3.334 -2.796 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.927 3.252 -1.754 1.00 0.00 C ATOM 1383 C PRO A 93 -20.740 1.958 -1.818 1.00 0.00 C ATOM 1384 O PRO A 93 -21.047 1.356 -0.790 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.825 4.456 -2.043 1.00 0.00 C ATOM 1386 CG PRO A 93 -19.968 5.400 -2.810 1.00 0.00 C ATOM 1387 CD PRO A 93 -19.043 4.542 -3.628 1.00 0.00 C ATOM 0 HA PRO A 93 -19.486 3.255 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.704 4.164 -2.618 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -21.185 4.911 -1.120 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.571 6.044 -3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.407 6.051 -2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -19.466 4.309 -4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.086 5.033 -3.804 1.00 0.00 H new ATOM 1395 N GLU A 94 -21.094 1.536 -3.027 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.841 0.297 -3.210 1.00 0.00 C ATOM 1397 C GLU A 94 -20.955 -0.910 -2.954 1.00 0.00 C ATOM 1398 O GLU A 94 -21.354 -1.861 -2.281 1.00 0.00 O ATOM 1399 CB GLU A 94 -22.414 0.210 -4.620 1.00 0.00 C ATOM 1400 CG GLU A 94 -23.475 1.250 -4.916 1.00 0.00 C ATOM 1401 CD GLU A 94 -24.138 1.017 -6.254 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -24.842 -0.003 -6.401 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -23.941 1.837 -7.171 1.00 0.00 O ATOM 0 H GLU A 94 -20.877 2.031 -3.892 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.661 0.299 -2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -21.602 0.319 -5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.840 -0.782 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.229 1.232 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.024 2.242 -4.903 1.00 0.00 H new ATOM 1410 N THR A 95 -19.748 -0.862 -3.500 1.00 0.00 N ATOM 1411 CA THR A 95 -18.798 -1.946 -3.345 1.00 0.00 C ATOM 1412 C THR A 95 -18.446 -2.136 -1.872 1.00 0.00 C ATOM 1413 O THR A 95 -18.460 -3.252 -1.371 1.00 0.00 O ATOM 1414 CB THR A 95 -17.526 -1.670 -4.169 1.00 0.00 C ATOM 1415 OG1 THR A 95 -17.899 -1.213 -5.475 1.00 0.00 O ATOM 1416 CG2 THR A 95 -16.675 -2.924 -4.302 1.00 0.00 C ATOM 0 H THR A 95 -19.406 -0.078 -4.056 1.00 0.00 H new ATOM 0 HA THR A 95 -19.256 -2.863 -3.715 1.00 0.00 H new ATOM 0 HB THR A 95 -16.940 -0.909 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.093 -0.989 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.784 -2.699 -4.888 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.380 -3.270 -3.311 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.251 -3.703 -4.802 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.206 -1.028 -1.181 1.00 0.00 N ATOM 1425 CA ASP A 96 -17.821 -1.042 0.232 1.00 0.00 C ATOM 1426 C ASP A 96 -18.871 -1.747 1.079 1.00 0.00 C ATOM 1427 O ASP A 96 -18.545 -2.545 1.958 1.00 0.00 O ATOM 1428 CB ASP A 96 -17.645 0.398 0.718 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.397 0.505 2.209 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -18.381 0.635 2.966 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -16.224 0.504 2.624 1.00 0.00 O ATOM 0 H ASP A 96 -18.272 -0.092 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 96 -16.883 -1.588 0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -16.811 0.854 0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.537 0.971 0.464 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.132 -1.468 0.779 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.246 -2.067 1.499 1.00 0.00 C ATOM 1438 C GLU A 97 -21.227 -3.587 1.354 1.00 0.00 C ATOM 1439 O GLU A 97 -21.458 -4.324 2.310 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.565 -1.510 0.969 1.00 0.00 C ATOM 1441 CG GLU A 97 -23.780 -1.984 1.742 1.00 0.00 C ATOM 1442 CD GLU A 97 -25.073 -1.505 1.128 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.390 -0.306 1.252 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.785 -2.328 0.517 1.00 0.00 O ATOM 0 H GLU A 97 -20.410 -0.826 0.037 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.149 -1.820 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.528 -0.421 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -22.676 -1.796 -0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.781 -3.073 1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -23.715 -1.628 2.770 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.964 -4.051 0.147 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.859 -5.475 -0.108 1.00 0.00 C ATOM 1453 C GLN A 98 -19.571 -6.037 0.499 1.00 0.00 C ATOM 1454 O GLN A 98 -19.560 -7.131 1.065 1.00 0.00 O ATOM 1455 CB GLN A 98 -20.910 -5.735 -1.613 1.00 0.00 C ATOM 1456 CG GLN A 98 -20.935 -7.203 -1.987 1.00 0.00 C ATOM 1457 CD GLN A 98 -21.098 -7.406 -3.478 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -22.214 -7.525 -3.986 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -19.987 -7.426 -4.190 1.00 0.00 N ATOM 0 H GLN A 98 -20.819 -3.462 -0.673 1.00 0.00 H new ATOM 0 HA GLN A 98 -21.700 -5.983 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -21.796 -5.251 -2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -20.044 -5.267 -2.081 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -20.011 -7.677 -1.655 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -21.753 -7.697 -1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -19.083 -7.324 -3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -20.032 -7.544 -5.202 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.490 -5.273 0.384 1.00 0.00 N ATOM 1469 CA LEU A 99 -17.173 -5.714 0.835 1.00 0.00 C ATOM 1470 C LEU A 99 -17.094 -5.850 2.348 1.00 0.00 C ATOM 1471 O LEU A 99 -16.375 -6.709 2.847 1.00 0.00 O ATOM 1472 CB LEU A 99 -16.077 -4.766 0.343 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.999 -4.609 -1.175 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -14.720 -3.905 -1.579 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -16.118 -5.953 -1.867 1.00 0.00 C ATOM 0 H LEU A 99 -18.500 -4.337 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 99 -17.014 -6.702 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.239 -3.784 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.115 -5.126 0.707 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.840 -3.992 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -14.687 -3.805 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.689 -2.916 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.862 -4.487 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.059 -5.813 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -15.306 -6.603 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -17.074 -6.410 -1.612 1.00 0.00 H new ATOM 1487 N GLN A 100 -17.815 -5.006 3.077 1.00 0.00 N ATOM 1488 CA GLN A 100 -17.845 -5.105 4.534 1.00 0.00 C ATOM 1489 C GLN A 100 -18.462 -6.437 4.957 1.00 0.00 C ATOM 1490 O GLN A 100 -18.080 -7.016 5.975 1.00 0.00 O ATOM 1491 CB GLN A 100 -18.598 -3.927 5.167 1.00 0.00 C ATOM 1492 CG GLN A 100 -20.071 -3.867 4.813 1.00 0.00 C ATOM 1493 CD GLN A 100 -20.775 -2.678 5.431 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -20.842 -1.600 4.840 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -21.310 -2.865 6.626 1.00 0.00 N ATOM 0 H GLN A 100 -18.382 -4.252 2.689 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.818 -5.062 4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -18.499 -3.987 6.251 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -18.123 -2.997 4.855 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -20.178 -3.824 3.729 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -20.557 -4.784 5.145 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -21.233 -3.774 7.083 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -21.800 -2.100 7.091 1.00 0.00 H new ATOM 1504 N LYS A 101 -19.421 -6.915 4.163 1.00 0.00 N ATOM 1505 CA LYS A 101 -20.056 -8.211 4.395 1.00 0.00 C ATOM 1506 C LYS A 101 -19.075 -9.351 4.131 1.00 0.00 C ATOM 1507 O LYS A 101 -19.277 -10.479 4.579 1.00 0.00 O ATOM 1508 CB LYS A 101 -21.287 -8.368 3.498 1.00 0.00 C ATOM 1509 CG LYS A 101 -22.473 -7.515 3.926 1.00 0.00 C ATOM 1510 CD LYS A 101 -23.107 -8.045 5.206 1.00 0.00 C ATOM 1511 CE LYS A 101 -23.648 -9.453 5.011 1.00 0.00 C ATOM 1512 NZ LYS A 101 -24.298 -9.982 6.237 1.00 0.00 N ATOM 0 H LYS A 101 -19.777 -6.418 3.347 1.00 0.00 H new ATOM 0 HA LYS A 101 -20.367 -8.254 5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -21.015 -8.108 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -21.589 -9.415 3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -22.147 -6.486 4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -23.217 -7.498 3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -22.369 -8.044 6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -23.915 -7.382 5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -24.367 -9.453 4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -22.833 -10.116 4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -24.651 -10.943 6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -23.606 -10.008 7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -25.093 -9.366 6.502 1.00 0.00 H new ATOM 1526 N LEU A 102 -18.026 -9.050 3.383 1.00 0.00 N ATOM 1527 CA LEU A 102 -16.977 -10.020 3.109 1.00 0.00 C ATOM 1528 C LEU A 102 -15.882 -9.882 4.166 1.00 0.00 C ATOM 1529 O LEU A 102 -15.576 -10.833 4.883 1.00 0.00 O ATOM 1530 CB LEU A 102 -16.412 -9.805 1.697 1.00 0.00 C ATOM 1531 CG LEU A 102 -17.464 -9.707 0.581 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -16.805 -9.477 -0.772 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -18.329 -10.959 0.542 1.00 0.00 C ATOM 0 H LEU A 102 -17.878 -8.137 2.953 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.386 -11.029 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.818 -8.891 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.734 -10.627 1.465 1.00 0.00 H new ATOM 0 HG LEU A 102 -18.103 -8.852 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -17.572 -9.412 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -16.236 -8.548 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -16.135 -10.307 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -19.066 -10.867 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -17.700 -11.830 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -18.841 -11.078 1.497 1.00 0.00 H new ATOM 1545 N GLY A 103 -15.317 -8.674 4.239 1.00 0.00 N ATOM 1546 CA GLY A 103 -14.455 -8.258 5.343 1.00 0.00 C ATOM 1547 C GLY A 103 -13.333 -9.216 5.691 1.00 0.00 C ATOM 1548 O GLY A 103 -12.858 -9.215 6.829 1.00 0.00 O ATOM 0 H GLY A 103 -15.447 -7.954 3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.019 -7.290 5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.073 -8.113 6.229 1.00 0.00 H new ATOM 1552 N VAL A 104 -12.885 -10.006 4.730 1.00 0.00 N ATOM 1553 CA VAL A 104 -11.851 -10.990 4.999 1.00 0.00 C ATOM 1554 C VAL A 104 -10.447 -10.419 4.742 1.00 0.00 C ATOM 1555 O VAL A 104 -9.857 -10.611 3.680 1.00 0.00 O ATOM 1556 CB VAL A 104 -12.094 -12.299 4.198 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -12.229 -12.033 2.707 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -10.996 -13.316 4.474 1.00 0.00 C ATOM 0 H VAL A 104 -13.217 -9.986 3.766 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.906 -11.242 6.058 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.041 -12.718 4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.398 -12.974 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.071 -11.364 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.315 -11.570 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.189 -14.224 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.032 -12.900 4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.980 -13.554 5.538 1.00 0.00 H new ATOM 1568 N GLN A 105 -9.941 -9.675 5.733 1.00 0.00 N ATOM 1569 CA GLN A 105 -8.549 -9.183 5.747 1.00 0.00 C ATOM 1570 C GLN A 105 -8.238 -8.213 4.602 1.00 0.00 C ATOM 1571 O GLN A 105 -7.094 -7.785 4.441 1.00 0.00 O ATOM 1572 CB GLN A 105 -7.571 -10.362 5.662 1.00 0.00 C ATOM 1573 CG GLN A 105 -7.752 -11.402 6.753 1.00 0.00 C ATOM 1574 CD GLN A 105 -6.944 -12.657 6.489 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -5.795 -12.781 6.915 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -7.537 -13.598 5.771 1.00 0.00 N ATOM 0 H GLN A 105 -10.482 -9.394 6.551 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.431 -8.641 6.685 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.686 -10.846 4.692 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -6.552 -9.978 5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.455 -10.976 7.711 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.808 -11.662 6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.490 -13.459 5.436 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.041 -14.462 5.553 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.240 -7.848 3.824 1.00 0.00 N ATOM 1586 CA VAL A 106 -9.001 -7.148 2.570 1.00 0.00 C ATOM 1587 C VAL A 106 -8.782 -5.639 2.755 1.00 0.00 C ATOM 1588 O VAL A 106 -8.515 -4.924 1.793 1.00 0.00 O ATOM 1589 CB VAL A 106 -10.151 -7.402 1.572 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -11.364 -6.533 1.877 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -9.667 -7.207 0.145 1.00 0.00 C ATOM 0 H VAL A 106 -10.223 -8.022 4.034 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.075 -7.555 2.165 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.471 -8.438 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -12.152 -6.741 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.726 -6.754 2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -11.083 -5.482 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.490 -7.390 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -9.307 -6.186 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.856 -7.905 -0.063 1.00 0.00 H new ATOM 1601 N ARG A 107 -8.861 -5.155 3.987 1.00 0.00 N ATOM 1602 CA ARG A 107 -8.736 -3.719 4.232 1.00 0.00 C ATOM 1603 C ARG A 107 -7.278 -3.278 4.242 1.00 0.00 C ATOM 1604 O ARG A 107 -6.985 -2.090 4.133 1.00 0.00 O ATOM 1605 CB ARG A 107 -9.405 -3.324 5.549 1.00 0.00 C ATOM 1606 CG ARG A 107 -10.898 -3.584 5.566 1.00 0.00 C ATOM 1607 CD ARG A 107 -11.524 -3.152 6.879 1.00 0.00 C ATOM 1608 NE ARG A 107 -12.921 -3.558 6.962 1.00 0.00 N ATOM 1609 CZ ARG A 107 -13.358 -4.549 7.731 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -12.537 -5.146 8.586 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -14.629 -4.911 7.671 1.00 0.00 N ATOM 0 H ARG A 107 -9.009 -5.722 4.822 1.00 0.00 H new ATOM 0 HA ARG A 107 -9.244 -3.211 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.938 -3.875 6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -9.226 -2.265 5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.371 -3.048 4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -11.085 -4.646 5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -10.967 -3.587 7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -11.452 -2.069 6.979 1.00 0.00 H new ATOM 0 HE ARG A 107 -13.603 -3.052 6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -11.565 -4.844 8.655 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -12.878 -5.906 9.174 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.267 -4.430 7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -14.971 -5.671 8.259 1.00 0.00 H new ATOM 1625 N GLU A 108 -6.365 -4.233 4.376 1.00 0.00 N ATOM 1626 CA GLU A 108 -4.944 -3.917 4.420 1.00 0.00 C ATOM 1627 C GLU A 108 -4.102 -5.167 4.164 1.00 0.00 C ATOM 1628 O GLU A 108 -3.209 -5.165 3.319 1.00 0.00 O ATOM 1629 CB GLU A 108 -4.596 -3.314 5.786 1.00 0.00 C ATOM 1630 CG GLU A 108 -3.585 -2.175 5.729 1.00 0.00 C ATOM 1631 CD GLU A 108 -2.194 -2.622 5.336 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -1.590 -3.417 6.087 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -1.681 -2.157 4.294 1.00 0.00 O ATOM 0 H GLU A 108 -6.582 -5.226 4.456 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.720 -3.193 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.511 -2.949 6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.203 -4.102 6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.932 -1.427 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.540 -1.690 6.704 1.00 0.00 H new ATOM 1640 N GLU A 109 -4.414 -6.246 4.877 1.00 0.00 N ATOM 1641 CA GLU A 109 -3.613 -7.467 4.811 1.00 0.00 C ATOM 1642 C GLU A 109 -3.703 -8.136 3.441 1.00 0.00 C ATOM 1643 O GLU A 109 -2.684 -8.494 2.855 1.00 0.00 O ATOM 1644 CB GLU A 109 -4.035 -8.450 5.902 1.00 0.00 C ATOM 1645 CG GLU A 109 -3.815 -7.920 7.304 1.00 0.00 C ATOM 1646 CD GLU A 109 -3.997 -8.985 8.361 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -3.014 -9.692 8.666 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -5.116 -9.115 8.900 1.00 0.00 O ATOM 0 H GLU A 109 -5.215 -6.301 5.507 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.575 -7.178 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.090 -8.693 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.477 -9.378 5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.809 -7.507 7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.511 -7.102 7.493 1.00 0.00 H new ATOM 1655 N LEU A 110 -4.916 -8.306 2.934 1.00 0.00 N ATOM 1656 CA LEU A 110 -5.113 -8.946 1.638 1.00 0.00 C ATOM 1657 C LEU A 110 -4.576 -8.045 0.529 1.00 0.00 C ATOM 1658 O LEU A 110 -4.133 -8.521 -0.513 1.00 0.00 O ATOM 1659 CB LEU A 110 -6.601 -9.261 1.421 1.00 0.00 C ATOM 1660 CG LEU A 110 -6.909 -10.490 0.552 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -8.366 -10.890 0.701 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -6.599 -10.226 -0.913 1.00 0.00 C ATOM 0 H LEU A 110 -5.776 -8.012 3.397 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.563 -9.887 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.068 -9.404 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.074 -8.391 0.965 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.272 -11.305 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.569 -11.762 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.572 -11.132 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.004 -10.064 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.828 -11.116 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.204 -9.392 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.543 -9.981 -1.023 1.00 0.00 H new ATOM 1674 N LEU A 111 -4.586 -6.739 0.776 1.00 0.00 N ATOM 1675 CA LEU A 111 -4.023 -5.778 -0.165 1.00 0.00 C ATOM 1676 C LEU A 111 -2.526 -6.035 -0.341 1.00 0.00 C ATOM 1677 O LEU A 111 -1.956 -5.777 -1.402 1.00 0.00 O ATOM 1678 CB LEU A 111 -4.262 -4.347 0.327 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.681 -3.238 -0.560 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.335 -3.239 -1.933 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -3.849 -1.882 0.106 1.00 0.00 C ATOM 0 H LEU A 111 -4.978 -6.322 1.620 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.518 -5.899 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.336 -4.188 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.837 -4.249 1.326 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.617 -3.433 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.905 -2.443 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.162 -4.200 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.407 -3.074 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.432 -1.107 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.909 -1.686 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.327 -1.880 1.063 1.00 0.00 H new ATOM 1693 N ARG A 112 -1.898 -6.568 0.702 1.00 0.00 N ATOM 1694 CA ARG A 112 -0.484 -6.909 0.656 1.00 0.00 C ATOM 1695 C ARG A 112 -0.300 -8.389 0.359 1.00 0.00 C ATOM 1696 O ARG A 112 0.732 -8.981 0.684 1.00 0.00 O ATOM 1697 CB ARG A 112 0.199 -6.555 1.974 1.00 0.00 C ATOM 1698 CG ARG A 112 0.026 -5.103 2.374 1.00 0.00 C ATOM 1699 CD ARG A 112 0.916 -4.754 3.549 1.00 0.00 C ATOM 1700 NE ARG A 112 0.662 -3.406 4.051 1.00 0.00 N ATOM 1701 CZ ARG A 112 1.609 -2.563 4.455 1.00 0.00 C ATOM 1702 NH1 ARG A 112 2.883 -2.925 4.423 1.00 0.00 N ATOM 1703 NH2 ARG A 112 1.272 -1.362 4.913 1.00 0.00 N ATOM 0 H ARG A 112 -2.350 -6.773 1.593 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.023 -6.330 -0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.201 -7.191 2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.263 -6.777 1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.265 -4.458 1.528 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.016 -4.915 2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.756 -5.475 4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.961 -4.838 3.249 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.307 -3.090 4.095 1.00 0.00 H new ATOM 0 HH11 ARG A 112 3.141 -3.853 4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.606 -2.276 4.734 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.290 -1.089 4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.995 -0.713 5.224 1.00 0.00 H new ATOM 1717 N ALA A 113 -1.306 -8.979 -0.262 1.00 0.00 N ATOM 1718 CA ALA A 113 -1.286 -10.394 -0.587 1.00 0.00 C ATOM 1719 C ALA A 113 -2.153 -10.671 -1.803 1.00 0.00 C ATOM 1720 O ALA A 113 -2.791 -11.724 -1.914 1.00 0.00 O ATOM 1721 CB ALA A 113 -1.753 -11.200 0.610 1.00 0.00 C ATOM 0 H ALA A 113 -2.155 -8.494 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 113 -0.266 -10.692 -0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.737 -12.261 0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.090 -11.014 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -2.768 -10.904 0.874 1.00 0.00 H new ATOM 1727 N GLN A 114 -2.163 -9.711 -2.714 1.00 0.00 N ATOM 1728 CA GLN A 114 -2.941 -9.813 -3.934 1.00 0.00 C ATOM 1729 C GLN A 114 -2.169 -10.559 -5.006 1.00 0.00 C ATOM 1730 O GLN A 114 -1.140 -11.178 -4.725 1.00 0.00 O ATOM 1731 CB GLN A 114 -3.304 -8.421 -4.440 1.00 0.00 C ATOM 1732 CG GLN A 114 -4.422 -7.765 -3.656 1.00 0.00 C ATOM 1733 CD GLN A 114 -4.783 -6.392 -4.185 1.00 0.00 C ATOM 1734 OE1 GLN A 114 -5.933 -5.970 -4.106 1.00 0.00 O ATOM 1735 NE2 GLN A 114 -3.804 -5.684 -4.729 1.00 0.00 N ATOM 0 H GLN A 114 -1.634 -8.843 -2.627 1.00 0.00 H new ATOM 0 HA GLN A 114 -3.852 -10.368 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -2.419 -7.785 -4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -3.597 -8.489 -5.488 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -5.304 -8.404 -3.686 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.125 -7.680 -2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -2.861 -6.070 -4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -3.993 -4.753 -5.101 1.00 0.00 H new ATOM 1744 N GLU A 115 -2.678 -10.477 -6.233 1.00 0.00 N ATOM 1745 CA GLU A 115 -2.080 -11.146 -7.386 1.00 0.00 C ATOM 1746 C GLU A 115 -2.094 -12.655 -7.176 1.00 0.00 C ATOM 1747 O GLU A 115 -1.197 -13.223 -6.546 1.00 0.00 O ATOM 1748 CB GLU A 115 -0.664 -10.625 -7.640 1.00 0.00 C ATOM 1749 CG GLU A 115 -0.611 -9.109 -7.773 1.00 0.00 C ATOM 1750 CD GLU A 115 0.782 -8.580 -8.031 1.00 0.00 C ATOM 1751 OE1 GLU A 115 1.654 -8.722 -7.149 1.00 0.00 O ATOM 1752 OE2 GLU A 115 1.001 -7.985 -9.104 1.00 0.00 O ATOM 0 H GLU A 115 -3.518 -9.944 -6.456 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.671 -10.922 -8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -0.014 -10.937 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -0.272 -11.079 -8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -1.266 -8.799 -8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.001 -8.657 -6.861 1.00 0.00 H new ATOM 1759 N ALA A 116 -3.129 -13.288 -7.719 1.00 0.00 N ATOM 1760 CA ALA A 116 -3.436 -14.686 -7.436 1.00 0.00 C ATOM 1761 C ALA A 116 -3.646 -14.885 -5.933 1.00 0.00 C ATOM 1762 O ALA A 116 -2.878 -15.585 -5.271 1.00 0.00 O ATOM 1763 CB ALA A 116 -2.341 -15.598 -7.970 1.00 0.00 C ATOM 0 H ALA A 116 -3.779 -12.846 -8.368 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.361 -14.953 -7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -2.591 -16.635 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.254 -15.469 -9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.393 -15.344 -7.496 1.00 0.00 H new ATOM 1769 N PRO A 117 -4.691 -14.251 -5.372 1.00 0.00 N ATOM 1770 CA PRO A 117 -4.968 -14.282 -3.944 1.00 0.00 C ATOM 1771 C PRO A 117 -5.781 -15.505 -3.534 1.00 0.00 C ATOM 1772 O PRO A 117 -6.823 -15.803 -4.124 1.00 0.00 O ATOM 1773 CB PRO A 117 -5.778 -12.998 -3.703 1.00 0.00 C ATOM 1774 CG PRO A 117 -6.074 -12.419 -5.058 1.00 0.00 C ATOM 1775 CD PRO A 117 -5.696 -13.459 -6.077 1.00 0.00 C ATOM 0 HA PRO A 117 -4.051 -14.339 -3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -6.700 -13.217 -3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.213 -12.292 -3.094 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.130 -12.161 -5.144 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.508 -11.501 -5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -6.552 -14.064 -6.374 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -5.293 -13.009 -6.984 1.00 0.00 H new ATOM 1783 N GLY A 118 -5.305 -16.206 -2.520 1.00 0.00 N ATOM 1784 CA GLY A 118 -6.002 -17.379 -2.042 1.00 0.00 C ATOM 1785 C GLY A 118 -5.223 -18.648 -2.301 1.00 0.00 C ATOM 1786 O GLY A 118 -4.057 -18.760 -1.916 1.00 0.00 O ATOM 0 H GLY A 118 -4.446 -15.983 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -6.187 -17.280 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -6.975 -17.446 -2.529 1.00 0.00 H new ATOM 1790 N GLN A 119 -5.861 -19.603 -2.961 1.00 0.00 N ATOM 1791 CA GLN A 119 -5.221 -20.868 -3.273 1.00 0.00 C ATOM 1792 C GLN A 119 -4.486 -20.769 -4.605 1.00 0.00 C ATOM 1793 O GLN A 119 -5.013 -21.152 -5.651 1.00 0.00 O ATOM 1794 CB GLN A 119 -6.261 -21.990 -3.322 1.00 0.00 C ATOM 1795 CG GLN A 119 -5.660 -23.386 -3.289 1.00 0.00 C ATOM 1796 CD GLN A 119 -4.968 -23.698 -1.975 1.00 0.00 C ATOM 1797 OE1 GLN A 119 -5.455 -23.115 -0.891 1.00 0.00 O flip ATOM 1798 NE2 GLN A 119 -4.006 -24.466 -1.932 1.00 0.00 N flip ATOM 0 H GLN A 119 -6.823 -19.524 -3.291 1.00 0.00 H new ATOM 0 HA GLN A 119 -4.498 -21.098 -2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -6.943 -21.878 -2.479 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -6.856 -21.882 -4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -6.447 -24.120 -3.463 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -4.944 -23.488 -4.104 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -3.659 -24.897 -2.789 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -3.557 -24.671 -1.040 1.00 0.00 H new ATOM 1807 N ALA A 120 -3.281 -20.225 -4.565 1.00 0.00 N ATOM 1808 CA ALA A 120 -2.459 -20.101 -5.756 1.00 0.00 C ATOM 1809 C ALA A 120 -0.986 -20.203 -5.397 1.00 0.00 C ATOM 1810 O ALA A 120 -0.438 -21.323 -5.461 1.00 0.00 O ATOM 1811 CB ALA A 120 -2.747 -18.791 -6.469 1.00 0.00 C ATOM 1812 OXT ALA A 120 -0.391 -19.175 -5.017 1.00 0.00 O ATOM 0 H ALA A 120 -2.849 -19.861 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.705 -20.919 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.122 -18.716 -7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.797 -18.758 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.529 -17.958 -5.801 1.00 0.00 H new TER 1818 ALA A 120 ATOM 1819 N GLN B 1 -19.719 23.336 -0.792 1.00 0.00 N ATOM 1820 CA GLN B 1 -18.298 23.299 -1.210 1.00 0.00 C ATOM 1821 C GLN B 1 -17.406 23.045 -0.007 1.00 0.00 C ATOM 1822 O GLN B 1 -17.525 23.715 1.020 1.00 0.00 O ATOM 1823 CB GLN B 1 -17.899 24.609 -1.904 1.00 0.00 C ATOM 1824 CG GLN B 1 -18.226 24.647 -3.392 1.00 0.00 C ATOM 1825 CD GLN B 1 -19.674 24.310 -3.683 1.00 0.00 C ATOM 1826 OE1 GLN B 1 -20.021 23.148 -3.879 1.00 0.00 O ATOM 1827 NE2 GLN B 1 -20.526 25.316 -3.709 1.00 0.00 N ATOM 0 H1 GLN B 1 -20.247 22.591 -1.290 1.00 0.00 H new ATOM 0 H2 GLN B 1 -19.783 23.179 0.234 1.00 0.00 H new ATOM 0 H3 GLN B 1 -20.126 24.264 -1.027 1.00 0.00 H new ATOM 0 HA GLN B 1 -18.170 22.484 -1.923 1.00 0.00 H new ATOM 0 HB2 GLN B 1 -18.405 25.439 -1.410 1.00 0.00 H new ATOM 0 HB3 GLN B 1 -16.828 24.766 -1.774 1.00 0.00 H new ATOM 0 HG2 GLN B 1 -18.003 25.640 -3.783 1.00 0.00 H new ATOM 0 HG3 GLN B 1 -17.581 23.944 -3.919 1.00 0.00 H new ATOM 0 HE21 GLN B 1 -20.198 26.267 -3.541 1.00 0.00 H new ATOM 0 HE22 GLN B 1 -21.514 25.143 -3.897 1.00 0.00 H new ATOM 1838 N ASP B 2 -16.513 22.073 -0.139 1.00 0.00 N ATOM 1839 CA ASP B 2 -15.666 21.648 0.968 1.00 0.00 C ATOM 1840 C ASP B 2 -14.212 22.034 0.689 1.00 0.00 C ATOM 1841 O ASP B 2 -13.948 23.043 0.035 1.00 0.00 O ATOM 1842 CB ASP B 2 -15.795 20.131 1.164 1.00 0.00 C ATOM 1843 CG ASP B 2 -15.489 19.677 2.581 1.00 0.00 C ATOM 1844 OD1 ASP B 2 -14.356 19.901 3.060 1.00 0.00 O ATOM 1845 OD2 ASP B 2 -16.379 19.072 3.218 1.00 0.00 O ATOM 0 H ASP B 2 -16.356 21.561 -1.007 1.00 0.00 H new ATOM 0 HA ASP B 2 -15.986 22.147 1.883 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -16.807 19.823 0.903 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -15.120 19.624 0.474 1.00 0.00 H new ATOM 1850 N THR B 3 -13.279 21.234 1.165 1.00 0.00 N ATOM 1851 CA THR B 3 -11.867 21.523 1.015 1.00 0.00 C ATOM 1852 C THR B 3 -11.327 20.924 -0.283 1.00 0.00 C ATOM 1853 O THR B 3 -11.740 19.837 -0.699 1.00 0.00 O ATOM 1854 CB THR B 3 -11.082 20.961 2.216 1.00 0.00 C ATOM 1855 OG1 THR B 3 -11.756 21.312 3.435 1.00 0.00 O ATOM 1856 CG2 THR B 3 -9.658 21.501 2.250 1.00 0.00 C ATOM 0 H THR B 3 -13.477 20.368 1.665 1.00 0.00 H new ATOM 0 HA THR B 3 -11.741 22.605 0.977 1.00 0.00 H new ATOM 0 HB THR B 3 -11.033 19.877 2.113 1.00 0.00 H new ATOM 0 HG1 THR B 3 -12.584 20.794 3.512 1.00 0.00 H new ATOM 0 HG21 THR B 3 -9.132 21.085 3.109 1.00 0.00 H new ATOM 0 HG22 THR B 3 -9.139 21.217 1.334 1.00 0.00 H new ATOM 0 HG23 THR B 3 -9.683 22.588 2.331 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.432 21.648 -0.936 1.00 0.00 N ATOM 1865 CA ARG B 4 -9.779 21.145 -2.131 1.00 0.00 C ATOM 1866 C ARG B 4 -8.478 20.450 -1.749 1.00 0.00 C ATOM 1867 O ARG B 4 -7.676 20.999 -0.993 1.00 0.00 O ATOM 1868 CB ARG B 4 -9.483 22.283 -3.113 1.00 0.00 C ATOM 1869 CG ARG B 4 -8.929 21.798 -4.443 1.00 0.00 C ATOM 1870 CD ARG B 4 -8.135 22.882 -5.154 1.00 0.00 C ATOM 1871 NE ARG B 4 -8.945 24.049 -5.507 1.00 0.00 N ATOM 1872 CZ ARG B 4 -8.431 25.180 -5.996 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -7.113 25.351 -6.034 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -9.229 26.163 -6.394 1.00 0.00 N ATOM 0 H ARG B 4 -10.142 22.585 -0.658 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.449 20.435 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -10.398 22.847 -3.292 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -8.769 22.970 -2.658 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -8.291 20.930 -4.276 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -9.750 21.471 -5.081 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -7.311 23.199 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -7.694 22.466 -6.060 1.00 0.00 H new ATOM 0 HE ARG B 4 -9.955 23.995 -5.372 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -6.493 24.618 -5.689 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -6.721 26.215 -6.408 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -10.241 26.057 -6.327 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -8.830 27.025 -6.767 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.275 19.248 -2.262 1.00 0.00 N ATOM 1889 CA LEU B 5 -7.059 18.508 -2.007 1.00 0.00 C ATOM 1890 C LEU B 5 -6.240 18.449 -3.278 1.00 0.00 C ATOM 1891 O LEU B 5 -6.609 17.672 -4.172 1.00 0.00 O ATOM 1892 CB LEU B 5 -7.365 17.090 -1.514 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.704 16.954 -0.023 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -6.617 17.590 0.832 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -9.064 17.566 0.287 1.00 0.00 C ATOM 1896 OXT LEU B 5 -5.246 19.192 -3.387 1.00 0.00 O ATOM 0 H LEU B 5 -8.944 18.765 -2.861 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.497 19.018 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -8.201 16.698 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -6.503 16.458 -1.729 1.00 0.00 H new ATOM 0 HG LEU B 5 -7.753 15.892 0.218 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -6.874 17.484 1.886 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -5.666 17.094 0.639 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.531 18.648 0.584 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -9.279 17.456 1.350 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -9.055 18.624 0.027 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -9.833 17.056 -0.293 1.00 0.00 H new TER 1908 LEU B 5