USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 93 MET CE :methyl -169:sc= -0.359 (180deg=-0.576) USER MOD Single : A 3 GLN : amide:sc=-0.00781 X(o=-0.0078,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 116:sc= 1.2 USER MOD Single : A 9 ASN : amide:sc= -0.348 K(o=-0.35,f=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -177:sc= -3.39! USER MOD Single : A 41 ASN : amide:sc= 0.156 X(o=0.16,f=-0.083) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 47 SER OG : rot -64:sc= 0.169 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0994 USER MOD Single : A 60 SER OG : rot 180:sc= 0.143 USER MOD Single : A 63 THR OG1 : rot -150:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.827 K(o=-0.83,f=-3) USER MOD Single : A 69 GLN : amide:sc= -0.281 K(o=-0.28,f=-3.5!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.534 USER MOD Single : A 79 GLN : amide:sc= -2.29 K(o=-2.3,f=-6.4!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.1!) USER MOD Single : A 90 LYS NZ :NH3+ 161:sc=-0.00221 (180deg=-0.421) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.489 F(o=-3.3!,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.438 6.142 -15.381 1.00 0.00 N ATOM 32 CA GLN A 3 -5.816 4.943 -14.574 1.00 0.00 C ATOM 33 C GLN A 3 -6.161 5.355 -13.133 1.00 0.00 C ATOM 34 O GLN A 3 -5.376 5.157 -12.225 1.00 0.00 O ATOM 35 CB GLN A 3 -4.578 4.045 -14.596 1.00 0.00 C ATOM 36 CG GLN A 3 -4.361 3.507 -16.012 1.00 0.00 C ATOM 37 CD GLN A 3 -5.299 2.317 -16.255 1.00 0.00 C ATOM 38 OE1 GLN A 3 -4.973 1.198 -15.914 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.459 2.508 -16.836 1.00 0.00 N ATOM 0 HA GLN A 3 -6.694 4.437 -14.975 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.702 4.607 -14.271 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.703 3.218 -13.897 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.553 4.291 -16.744 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.324 3.198 -16.141 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.737 3.446 -17.124 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.083 1.718 -17.000 1.00 0.00 H new ATOM 48 N GLU A 4 -7.331 5.923 -12.912 1.00 0.00 N ATOM 49 CA GLU A 4 -7.710 6.333 -11.516 1.00 0.00 C ATOM 50 C GLU A 4 -8.552 5.234 -10.853 1.00 0.00 C ATOM 51 O GLU A 4 -8.377 4.944 -9.684 1.00 0.00 O ATOM 52 CB GLU A 4 -8.522 7.626 -11.657 1.00 0.00 C ATOM 53 CG GLU A 4 -7.593 8.771 -12.068 1.00 0.00 C ATOM 54 CD GLU A 4 -8.172 10.099 -11.577 1.00 0.00 C ATOM 55 OE1 GLU A 4 -9.203 10.500 -12.092 1.00 0.00 O ATOM 56 OE2 GLU A 4 -7.574 10.694 -10.695 1.00 0.00 O ATOM 0 H GLU A 4 -8.030 6.118 -13.629 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.831 6.488 -10.890 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.307 7.495 -12.402 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.014 7.864 -10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.600 8.617 -11.646 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.479 8.790 -13.152 1.00 0.00 H new ATOM 63 N GLN A 5 -9.458 4.609 -11.582 1.00 0.00 N ATOM 64 CA GLN A 5 -10.293 3.515 -10.956 1.00 0.00 C ATOM 65 C GLN A 5 -9.371 2.439 -10.352 1.00 0.00 C ATOM 66 O GLN A 5 -9.639 1.922 -9.283 1.00 0.00 O ATOM 67 CB GLN A 5 -11.188 2.924 -12.067 1.00 0.00 C ATOM 68 CG GLN A 5 -10.333 2.262 -13.155 1.00 0.00 C ATOM 69 CD GLN A 5 -11.247 1.665 -14.231 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.750 2.379 -15.075 1.00 0.00 O ATOM 71 NE2 GLN A 5 -11.489 0.376 -14.243 1.00 0.00 N ATOM 0 H GLN A 5 -9.655 4.802 -12.564 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.914 3.904 -10.149 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.872 2.191 -11.639 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.799 3.712 -12.507 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.660 2.995 -13.600 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.710 1.482 -12.718 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.069 -0.228 -13.537 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.097 -0.022 -14.959 1.00 0.00 H new ATOM 80 N TYR A 6 -8.265 2.132 -11.003 1.00 0.00 N ATOM 81 CA TYR A 6 -7.318 1.125 -10.417 1.00 0.00 C ATOM 82 C TYR A 6 -6.603 1.777 -9.225 1.00 0.00 C ATOM 83 O TYR A 6 -6.413 1.161 -8.196 1.00 0.00 O ATOM 84 CB TYR A 6 -6.299 0.770 -11.513 1.00 0.00 C ATOM 85 CG TYR A 6 -6.926 -0.165 -12.517 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.684 0.350 -13.575 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.746 -1.548 -12.394 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.262 -0.516 -14.509 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.324 -2.416 -13.328 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.082 -1.899 -14.386 1.00 0.00 C ATOM 91 OH TYR A 6 -8.652 -2.754 -15.308 1.00 0.00 O ATOM 0 H TYR A 6 -7.983 2.529 -11.899 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.835 0.227 -10.078 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.958 1.677 -12.012 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.421 0.303 -11.067 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.823 1.417 -13.670 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.161 -1.946 -11.578 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.847 -0.118 -15.325 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.186 -3.483 -13.233 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.429 -3.680 -15.077 1.00 0.00 H new ATOM 101 N THR A 7 -6.213 3.029 -9.359 1.00 0.00 N ATOM 102 CA THR A 7 -5.516 3.730 -8.224 1.00 0.00 C ATOM 103 C THR A 7 -6.426 3.761 -6.986 1.00 0.00 C ATOM 104 O THR A 7 -5.969 3.560 -5.876 1.00 0.00 O ATOM 105 CB THR A 7 -5.234 5.167 -8.716 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.396 5.130 -9.876 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.563 5.997 -7.611 1.00 0.00 C ATOM 0 H THR A 7 -6.346 3.592 -10.199 1.00 0.00 H new ATOM 0 HA THR A 7 -4.595 3.219 -7.942 1.00 0.00 H new ATOM 0 HB THR A 7 -6.183 5.637 -8.973 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.886 5.490 -10.645 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.373 7.006 -7.978 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.220 6.045 -6.742 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.620 5.530 -7.328 1.00 0.00 H new ATOM 115 N GLU A 8 -7.706 4.013 -7.162 1.00 0.00 N ATOM 116 CA GLU A 8 -8.623 4.053 -5.967 1.00 0.00 C ATOM 117 C GLU A 8 -8.717 2.659 -5.341 1.00 0.00 C ATOM 118 O GLU A 8 -8.684 2.519 -4.131 1.00 0.00 O ATOM 119 CB GLU A 8 -10.000 4.513 -6.469 1.00 0.00 C ATOM 120 CG GLU A 8 -10.066 6.042 -6.450 1.00 0.00 C ATOM 121 CD GLU A 8 -11.521 6.488 -6.293 1.00 0.00 C ATOM 122 OE1 GLU A 8 -12.130 6.117 -5.304 1.00 0.00 O ATOM 123 OE2 GLU A 8 -12.001 7.194 -7.164 1.00 0.00 O ATOM 0 H GLU A 8 -8.151 4.190 -8.063 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.249 4.736 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.172 4.144 -7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.786 4.097 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.464 6.432 -5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.648 6.446 -7.372 1.00 0.00 H new ATOM 130 N ASN A 9 -8.811 1.625 -6.145 1.00 0.00 N ATOM 131 CA ASN A 9 -8.879 0.241 -5.562 1.00 0.00 C ATOM 132 C ASN A 9 -7.484 -0.161 -5.071 1.00 0.00 C ATOM 133 O ASN A 9 -7.340 -0.739 -4.010 1.00 0.00 O ATOM 134 CB ASN A 9 -9.348 -0.697 -6.685 1.00 0.00 C ATOM 135 CG ASN A 9 -10.862 -0.550 -6.879 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.342 0.529 -7.168 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.645 -1.591 -6.733 1.00 0.00 N ATOM 0 H ASN A 9 -8.843 1.674 -7.163 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.567 0.190 -4.718 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.827 -0.459 -7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.101 -1.729 -6.437 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.652 -1.494 -6.862 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.247 -2.498 -6.491 1.00 0.00 H new ATOM 144 N LEU A 10 -6.450 0.164 -5.820 1.00 0.00 N ATOM 145 CA LEU A 10 -5.062 -0.184 -5.360 1.00 0.00 C ATOM 146 C LEU A 10 -4.714 0.641 -4.112 1.00 0.00 C ATOM 147 O LEU A 10 -4.061 0.152 -3.210 1.00 0.00 O ATOM 148 CB LEU A 10 -4.108 0.162 -6.516 1.00 0.00 C ATOM 149 CG LEU A 10 -2.897 -0.770 -6.475 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.397 -1.018 -7.899 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.784 -0.119 -5.649 1.00 0.00 C ATOM 0 H LEU A 10 -6.505 0.648 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.981 -1.239 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.625 0.062 -7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.784 1.200 -6.436 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.181 -1.719 -6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.533 -1.682 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.190 -1.478 -8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.111 -0.070 -8.354 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.919 -0.781 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.499 0.829 -6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.141 0.060 -4.635 1.00 0.00 H new ATOM 163 N LYS A 11 -5.151 1.887 -4.041 1.00 0.00 N ATOM 164 CA LYS A 11 -4.833 2.714 -2.823 1.00 0.00 C ATOM 165 C LYS A 11 -5.426 2.054 -1.570 1.00 0.00 C ATOM 166 O LYS A 11 -4.818 2.075 -0.515 1.00 0.00 O ATOM 167 CB LYS A 11 -5.467 4.098 -3.043 1.00 0.00 C ATOM 168 CG LYS A 11 -5.056 5.034 -1.905 1.00 0.00 C ATOM 169 CD LYS A 11 -6.067 4.923 -0.762 1.00 0.00 C ATOM 170 CE LYS A 11 -6.036 6.203 0.075 1.00 0.00 C ATOM 171 NZ LYS A 11 -7.120 7.056 -0.486 1.00 0.00 N ATOM 0 H LYS A 11 -5.703 2.357 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.756 2.798 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.146 4.509 -4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.553 4.010 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.059 4.775 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.009 6.062 -2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.068 4.762 -1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.832 4.062 -0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.208 5.989 1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.067 6.698 0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.161 7.954 0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.926 7.249 -1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.031 6.562 -0.398 1.00 0.00 H new ATOM 185 N VAL A 12 -6.600 1.462 -1.669 1.00 0.00 N ATOM 186 CA VAL A 12 -7.197 0.799 -0.457 1.00 0.00 C ATOM 187 C VAL A 12 -6.372 -0.444 -0.098 1.00 0.00 C ATOM 188 O VAL A 12 -6.033 -0.655 1.052 1.00 0.00 O ATOM 189 CB VAL A 12 -8.636 0.403 -0.832 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.303 -0.307 0.347 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.433 1.660 -1.185 1.00 0.00 C ATOM 0 H VAL A 12 -7.161 1.409 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.196 1.464 0.407 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.612 -0.270 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.321 -0.585 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.737 -1.204 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.326 0.361 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.453 1.382 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.452 2.332 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.963 2.164 -2.029 1.00 0.00 H new ATOM 201 N ILE A 13 -6.040 -1.261 -1.071 1.00 0.00 N ATOM 202 CA ILE A 13 -5.222 -2.487 -0.764 1.00 0.00 C ATOM 203 C ILE A 13 -3.836 -2.070 -0.242 1.00 0.00 C ATOM 204 O ILE A 13 -3.292 -2.706 0.643 1.00 0.00 O ATOM 205 CB ILE A 13 -5.106 -3.282 -2.078 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.513 -3.682 -2.552 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.267 -4.543 -1.848 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.632 -3.490 -4.066 1.00 0.00 C ATOM 0 H ILE A 13 -6.294 -1.138 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.688 -3.099 0.008 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.624 -2.664 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.711 -4.722 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.263 -3.078 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.188 -5.102 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.271 -4.260 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.745 -5.165 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.632 -3.776 -4.392 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.455 -2.444 -4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.894 -4.113 -4.571 1.00 0.00 H new ATOM 220 N VAL A 14 -3.263 -1.002 -0.764 1.00 0.00 N ATOM 221 CA VAL A 14 -1.914 -0.563 -0.255 1.00 0.00 C ATOM 222 C VAL A 14 -2.052 -0.122 1.212 1.00 0.00 C ATOM 223 O VAL A 14 -1.230 -0.463 2.041 1.00 0.00 O ATOM 224 CB VAL A 14 -1.466 0.614 -1.145 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.163 1.221 -0.610 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.231 0.101 -2.566 1.00 0.00 C ATOM 0 H VAL A 14 -3.661 -0.426 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.179 -1.367 -0.296 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.242 1.379 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.141 2.051 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.321 1.584 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.618 0.461 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.914 0.927 -3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.456 -0.666 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.155 -0.324 -2.957 1.00 0.00 H new ATOM 236 N ALA A 15 -3.091 0.623 1.543 1.00 0.00 N ATOM 237 CA ALA A 15 -3.262 1.058 2.977 1.00 0.00 C ATOM 238 C ALA A 15 -3.390 -0.176 3.888 1.00 0.00 C ATOM 239 O ALA A 15 -2.915 -0.171 5.008 1.00 0.00 O ATOM 240 CB ALA A 15 -4.550 1.896 3.037 1.00 0.00 C ATOM 0 H ALA A 15 -3.813 0.943 0.898 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.404 1.638 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.716 2.235 4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.453 2.760 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.395 1.288 2.714 1.00 0.00 H new ATOM 246 N GLU A 16 -4.024 -1.239 3.421 1.00 0.00 N ATOM 247 CA GLU A 16 -4.165 -2.471 4.285 1.00 0.00 C ATOM 248 C GLU A 16 -2.783 -2.956 4.756 1.00 0.00 C ATOM 249 O GLU A 16 -2.632 -3.404 5.877 1.00 0.00 O ATOM 250 CB GLU A 16 -4.825 -3.549 3.411 1.00 0.00 C ATOM 251 CG GLU A 16 -5.151 -4.775 4.266 1.00 0.00 C ATOM 252 CD GLU A 16 -5.050 -6.038 3.409 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.450 -5.982 2.257 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.575 -7.039 3.918 1.00 0.00 O ATOM 0 H GLU A 16 -4.444 -1.307 2.494 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.762 -2.257 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.735 -3.157 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.158 -3.829 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.461 -4.838 5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.154 -4.685 4.682 1.00 0.00 H new ATOM 261 N LYS A 17 -1.771 -2.867 3.914 1.00 0.00 N ATOM 262 CA LYS A 17 -0.404 -3.327 4.346 1.00 0.00 C ATOM 263 C LYS A 17 0.263 -2.240 5.200 1.00 0.00 C ATOM 264 O LYS A 17 0.769 -2.518 6.272 1.00 0.00 O ATOM 265 CB LYS A 17 0.405 -3.573 3.063 1.00 0.00 C ATOM 266 CG LYS A 17 1.421 -4.693 3.305 1.00 0.00 C ATOM 267 CD LYS A 17 0.722 -6.056 3.213 1.00 0.00 C ATOM 268 CE LYS A 17 0.445 -6.596 4.623 1.00 0.00 C ATOM 269 NZ LYS A 17 1.390 -7.736 4.794 1.00 0.00 N ATOM 0 H LYS A 17 -1.830 -2.502 2.963 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.460 -4.234 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.263 -3.844 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.919 -2.660 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.223 -4.635 2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.880 -4.575 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.213 -5.959 2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.346 -6.758 2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.612 -5.829 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.590 -6.923 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.260 -8.157 5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.203 -8.454 4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.368 -7.394 4.700 1.00 0.00 H new ATOM 283 N LEU A 18 0.260 -1.000 4.748 1.00 0.00 N ATOM 284 CA LEU A 18 0.894 0.091 5.570 1.00 0.00 C ATOM 285 C LEU A 18 0.142 0.226 6.901 1.00 0.00 C ATOM 286 O LEU A 18 0.739 0.196 7.960 1.00 0.00 O ATOM 287 CB LEU A 18 0.763 1.390 4.765 1.00 0.00 C ATOM 288 CG LEU A 18 1.596 1.296 3.489 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.049 2.283 2.456 1.00 0.00 C ATOM 290 CD2 LEU A 18 3.052 1.642 3.807 1.00 0.00 C ATOM 0 H LEU A 18 -0.146 -0.701 3.862 1.00 0.00 H new ATOM 0 HA LEU A 18 1.940 -0.130 5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.283 1.569 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.097 2.236 5.366 1.00 0.00 H new ATOM 0 HG LEU A 18 1.543 0.283 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.641 2.219 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.011 2.038 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.105 3.296 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.649 1.576 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.107 2.656 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.439 0.941 4.547 1.00 0.00 H new ATOM 302 N ALA A 19 -1.168 0.362 6.855 1.00 0.00 N ATOM 303 CA ALA A 19 -1.949 0.485 8.137 1.00 0.00 C ATOM 304 C ALA A 19 -1.787 -0.799 8.976 1.00 0.00 C ATOM 305 O ALA A 19 -1.833 -0.750 10.191 1.00 0.00 O ATOM 306 CB ALA A 19 -3.424 0.677 7.746 1.00 0.00 C ATOM 0 H ALA A 19 -1.723 0.393 6.000 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.592 1.324 8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.030 0.771 8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.526 1.580 7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.763 -0.184 7.169 1.00 0.00 H new ATOM 312 N GLY A 20 -1.605 -1.948 8.346 1.00 0.00 N ATOM 313 CA GLY A 20 -1.451 -3.214 9.125 1.00 0.00 C ATOM 314 C GLY A 20 -0.066 -3.264 9.789 1.00 0.00 C ATOM 315 O GLY A 20 0.068 -3.749 10.897 1.00 0.00 O ATOM 0 H GLY A 20 -1.558 -2.054 7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.229 -3.279 9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.577 -4.073 8.466 1.00 0.00 H new ATOM 319 N ILE A 21 0.973 -2.776 9.132 1.00 0.00 N ATOM 320 CA ILE A 21 2.348 -2.820 9.763 1.00 0.00 C ATOM 321 C ILE A 21 2.308 -2.149 11.159 1.00 0.00 C ATOM 322 O ILE A 21 1.782 -1.063 11.295 1.00 0.00 O ATOM 323 CB ILE A 21 3.290 -2.058 8.803 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.416 -2.847 7.493 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.683 -1.904 9.427 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.615 -1.884 6.316 1.00 0.00 C ATOM 0 H ILE A 21 0.932 -2.356 8.203 1.00 0.00 H new ATOM 0 HA ILE A 21 2.696 -3.843 9.910 1.00 0.00 H new ATOM 0 HB ILE A 21 2.874 -1.068 8.613 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.257 -3.537 7.555 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.521 -3.448 7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.333 -1.365 8.737 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.604 -1.347 10.361 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.103 -2.890 9.627 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.703 -2.454 5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.760 -1.211 6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.523 -1.302 6.472 1.00 0.00 H new ATOM 338 N PRO A 22 2.853 -2.820 12.159 1.00 0.00 N ATOM 339 CA PRO A 22 2.848 -2.257 13.540 1.00 0.00 C ATOM 340 C PRO A 22 3.755 -1.015 13.672 1.00 0.00 C ATOM 341 O PRO A 22 3.585 -0.232 14.589 1.00 0.00 O ATOM 342 CB PRO A 22 3.374 -3.404 14.400 1.00 0.00 C ATOM 343 CG PRO A 22 4.176 -4.247 13.466 1.00 0.00 C ATOM 344 CD PRO A 22 3.520 -4.135 12.116 1.00 0.00 C ATOM 0 HA PRO A 22 1.856 -1.913 13.834 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.986 -3.033 15.222 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.557 -3.973 14.843 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.210 -3.904 13.424 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.198 -5.284 13.801 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.252 -4.187 11.310 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.805 -4.941 11.950 1.00 0.00 H new ATOM 415 N ASP A 27 2.055 9.328 8.401 1.00 0.00 N ATOM 416 CA ASP A 27 2.429 9.218 6.952 1.00 0.00 C ATOM 417 C ASP A 27 2.004 7.852 6.381 1.00 0.00 C ATOM 418 O ASP A 27 2.722 7.257 5.601 1.00 0.00 O ATOM 419 CB ASP A 27 3.953 9.366 6.912 1.00 0.00 C ATOM 420 CG ASP A 27 4.335 10.808 7.246 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.693 11.387 8.107 1.00 0.00 O ATOM 422 OD2 ASP A 27 5.264 11.312 6.636 1.00 0.00 O ATOM 0 HA ASP A 27 1.931 9.978 6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.414 8.682 7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.329 9.098 5.925 1.00 0.00 H new ATOM 427 N ILE A 28 0.848 7.349 6.763 1.00 0.00 N ATOM 428 CA ILE A 28 0.397 6.020 6.229 1.00 0.00 C ATOM 429 C ILE A 28 -0.629 6.204 5.088 1.00 0.00 C ATOM 430 O ILE A 28 -0.652 5.425 4.151 1.00 0.00 O ATOM 431 CB ILE A 28 -0.178 5.256 7.450 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.248 3.749 7.150 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.572 5.771 7.839 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.223 3.461 6.000 1.00 0.00 C ATOM 0 H ILE A 28 0.204 7.797 7.415 1.00 0.00 H new ATOM 0 HA ILE A 28 1.212 5.452 5.780 1.00 0.00 H new ATOM 0 HB ILE A 28 0.493 5.431 8.291 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.744 3.380 6.891 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.565 3.211 8.043 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.940 5.210 8.698 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.511 6.829 8.095 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.256 5.640 7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.253 2.388 5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.219 3.809 6.272 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.890 3.981 5.102 1.00 0.00 H new ATOM 446 N LYS A 29 -1.458 7.223 5.133 1.00 0.00 N ATOM 447 CA LYS A 29 -2.434 7.424 4.009 1.00 0.00 C ATOM 448 C LYS A 29 -1.726 8.167 2.866 1.00 0.00 C ATOM 449 O LYS A 29 -1.954 7.877 1.706 1.00 0.00 O ATOM 450 CB LYS A 29 -3.595 8.260 4.569 1.00 0.00 C ATOM 451 CG LYS A 29 -4.534 7.357 5.370 1.00 0.00 C ATOM 452 CD LYS A 29 -5.739 8.167 5.850 1.00 0.00 C ATOM 453 CE LYS A 29 -6.421 7.433 7.007 1.00 0.00 C ATOM 454 NZ LYS A 29 -7.297 6.420 6.354 1.00 0.00 N ATOM 0 H LYS A 29 -1.502 7.912 5.883 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.810 6.478 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.210 9.057 5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.140 8.737 3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.867 6.522 4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.006 6.932 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.419 9.158 6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.444 8.310 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.689 6.960 7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.002 8.120 7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.800 5.875 7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.988 6.901 5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.716 5.777 5.780 1.00 0.00 H new ATOM 468 N TYR A 30 -0.849 9.104 3.179 1.00 0.00 N ATOM 469 CA TYR A 30 -0.117 9.826 2.083 1.00 0.00 C ATOM 470 C TYR A 30 0.945 8.904 1.459 1.00 0.00 C ATOM 471 O TYR A 30 1.249 9.027 0.287 1.00 0.00 O ATOM 472 CB TYR A 30 0.551 11.052 2.726 1.00 0.00 C ATOM 473 CG TYR A 30 -0.506 12.062 3.102 1.00 0.00 C ATOM 474 CD1 TYR A 30 -0.973 12.976 2.149 1.00 0.00 C ATOM 475 CD2 TYR A 30 -1.020 12.085 4.405 1.00 0.00 C ATOM 476 CE1 TYR A 30 -1.953 13.912 2.499 1.00 0.00 C ATOM 477 CE2 TYR A 30 -2.000 13.021 4.754 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.467 13.935 3.801 1.00 0.00 C ATOM 479 OH TYR A 30 -3.434 14.858 4.145 1.00 0.00 O ATOM 0 H TYR A 30 -0.614 9.394 4.128 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.800 10.128 1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.113 10.751 3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.264 11.497 2.032 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.577 12.959 1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.660 11.380 5.140 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.313 14.617 1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.396 13.039 5.758 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.682 14.737 5.085 1.00 0.00 H new ATOM 489 N VAL A 31 1.509 7.973 2.216 1.00 0.00 N ATOM 490 CA VAL A 31 2.540 7.062 1.606 1.00 0.00 C ATOM 491 C VAL A 31 1.866 6.095 0.614 1.00 0.00 C ATOM 492 O VAL A 31 2.424 5.784 -0.421 1.00 0.00 O ATOM 493 CB VAL A 31 3.235 6.312 2.772 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.306 5.259 3.387 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.512 5.632 2.254 1.00 0.00 C ATOM 0 H VAL A 31 1.304 7.811 3.202 1.00 0.00 H new ATOM 0 HA VAL A 31 3.285 7.621 1.039 1.00 0.00 H new ATOM 0 HB VAL A 31 3.486 7.038 3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.822 4.750 4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.410 5.745 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.025 4.532 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.001 5.105 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.253 4.922 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.189 6.386 1.853 1.00 0.00 H new ATOM 505 N ALA A 32 0.668 5.626 0.911 1.00 0.00 N ATOM 506 CA ALA A 32 -0.020 4.689 -0.051 1.00 0.00 C ATOM 507 C ALA A 32 -0.257 5.400 -1.392 1.00 0.00 C ATOM 508 O ALA A 32 -0.118 4.801 -2.442 1.00 0.00 O ATOM 509 CB ALA A 32 -1.363 4.301 0.589 1.00 0.00 C ATOM 0 H ALA A 32 0.146 5.845 1.759 1.00 0.00 H new ATOM 0 HA ALA A 32 0.588 3.805 -0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.899 3.621 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.182 3.809 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.962 5.197 0.750 1.00 0.00 H new ATOM 515 N GLU A 33 -0.609 6.672 -1.374 1.00 0.00 N ATOM 516 CA GLU A 33 -0.844 7.398 -2.675 1.00 0.00 C ATOM 517 C GLU A 33 0.441 7.377 -3.512 1.00 0.00 C ATOM 518 O GLU A 33 0.416 7.041 -4.682 1.00 0.00 O ATOM 519 CB GLU A 33 -1.225 8.845 -2.320 1.00 0.00 C ATOM 520 CG GLU A 33 -2.722 8.916 -2.009 1.00 0.00 C ATOM 521 CD GLU A 33 -3.125 10.372 -1.769 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.532 10.995 -0.904 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.019 10.839 -2.454 1.00 0.00 O ATOM 0 H GLU A 33 -0.742 7.231 -0.531 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.636 6.925 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.647 9.184 -1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.983 9.510 -3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.296 8.500 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.950 8.315 -1.129 1.00 0.00 H new ATOM 530 N TYR A 34 1.568 7.709 -2.918 1.00 0.00 N ATOM 531 CA TYR A 34 2.858 7.677 -3.698 1.00 0.00 C ATOM 532 C TYR A 34 3.120 6.240 -4.177 1.00 0.00 C ATOM 533 O TYR A 34 3.562 6.026 -5.290 1.00 0.00 O ATOM 534 CB TYR A 34 3.970 8.145 -2.736 1.00 0.00 C ATOM 535 CG TYR A 34 5.344 8.073 -3.391 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.503 8.236 -4.780 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.469 7.855 -2.587 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.780 8.177 -5.350 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.744 7.801 -3.159 1.00 0.00 C ATOM 540 CZ TYR A 34 7.900 7.962 -4.540 1.00 0.00 C ATOM 541 OH TYR A 34 9.159 7.912 -5.102 1.00 0.00 O ATOM 0 H TYR A 34 1.653 7.997 -1.943 1.00 0.00 H new ATOM 0 HA TYR A 34 2.820 8.323 -4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.771 9.169 -2.419 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.961 7.526 -1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.640 8.407 -5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.352 7.728 -1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.901 8.298 -6.416 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.609 7.635 -2.534 1.00 0.00 H new ATOM 0 HH TYR A 34 9.820 7.709 -4.407 1.00 0.00 H new ATOM 551 N ILE A 35 2.830 5.251 -3.353 1.00 0.00 N ATOM 552 CA ILE A 35 3.046 3.825 -3.789 1.00 0.00 C ATOM 553 C ILE A 35 2.179 3.548 -5.030 1.00 0.00 C ATOM 554 O ILE A 35 2.663 3.040 -6.025 1.00 0.00 O ATOM 555 CB ILE A 35 2.631 2.941 -2.593 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.651 3.128 -1.465 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.594 1.464 -2.996 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.182 2.385 -0.214 1.00 0.00 C ATOM 0 H ILE A 35 2.458 5.367 -2.410 1.00 0.00 H new ATOM 0 HA ILE A 35 4.081 3.619 -4.062 1.00 0.00 H new ATOM 0 HB ILE A 35 1.635 3.236 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.626 2.753 -1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.773 4.189 -1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.299 0.860 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.874 1.325 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.583 1.155 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.911 2.521 0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.217 2.780 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.083 1.323 -0.437 1.00 0.00 H new ATOM 570 N VAL A 36 0.912 3.905 -4.992 1.00 0.00 N ATOM 571 CA VAL A 36 0.041 3.682 -6.202 1.00 0.00 C ATOM 572 C VAL A 36 0.588 4.517 -7.370 1.00 0.00 C ATOM 573 O VAL A 36 0.637 4.055 -8.494 1.00 0.00 O ATOM 574 CB VAL A 36 -1.380 4.141 -5.827 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.321 3.940 -7.018 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.881 3.313 -4.641 1.00 0.00 C ATOM 0 H VAL A 36 0.448 4.334 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 36 0.029 2.635 -6.505 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.359 5.197 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.325 4.266 -6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.965 4.526 -7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.343 2.885 -7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.887 3.635 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.898 2.258 -4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.215 3.456 -3.790 1.00 0.00 H new ATOM 586 N LEU A 37 1.026 5.738 -7.112 1.00 0.00 N ATOM 587 CA LEU A 37 1.596 6.580 -8.228 1.00 0.00 C ATOM 588 C LEU A 37 2.783 5.835 -8.854 1.00 0.00 C ATOM 589 O LEU A 37 2.901 5.754 -10.063 1.00 0.00 O ATOM 590 CB LEU A 37 2.073 7.898 -7.599 1.00 0.00 C ATOM 591 CG LEU A 37 2.046 9.006 -8.653 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.655 9.641 -8.693 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.082 10.073 -8.294 1.00 0.00 C ATOM 0 H LEU A 37 1.014 6.181 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 37 0.856 6.774 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.432 8.165 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.083 7.781 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 37 2.280 8.583 -9.630 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.637 10.430 -9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.085 8.882 -8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.420 10.064 -7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.065 10.864 -9.044 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.847 10.494 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.074 9.622 -8.265 1.00 0.00 H new ATOM 605 N LEU A 38 3.650 5.259 -8.039 1.00 0.00 N ATOM 606 CA LEU A 38 4.807 4.487 -8.613 1.00 0.00 C ATOM 607 C LEU A 38 4.251 3.283 -9.392 1.00 0.00 C ATOM 608 O LEU A 38 4.703 2.972 -10.477 1.00 0.00 O ATOM 609 CB LEU A 38 5.657 3.994 -7.429 1.00 0.00 C ATOM 610 CG LEU A 38 6.220 5.187 -6.657 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.383 4.807 -5.183 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.583 5.571 -7.237 1.00 0.00 C ATOM 0 H LEU A 38 3.606 5.290 -7.020 1.00 0.00 H new ATOM 0 HA LEU A 38 5.408 5.101 -9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.050 3.376 -6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.472 3.368 -7.792 1.00 0.00 H new ATOM 0 HG LEU A 38 5.537 6.032 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.784 5.657 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.413 4.531 -4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.068 3.963 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.986 6.422 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.266 4.726 -7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.469 5.839 -8.287 1.00 0.00 H new ATOM 624 N ILE A 39 3.257 2.613 -8.842 1.00 0.00 N ATOM 625 CA ILE A 39 2.652 1.430 -9.554 1.00 0.00 C ATOM 626 C ILE A 39 2.060 1.895 -10.895 1.00 0.00 C ATOM 627 O ILE A 39 2.279 1.276 -11.919 1.00 0.00 O ATOM 628 CB ILE A 39 1.547 0.892 -8.613 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.198 0.296 -7.347 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.688 -0.171 -9.319 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.936 -1.008 -7.676 1.00 0.00 C ATOM 0 H ILE A 39 2.841 2.832 -7.937 1.00 0.00 H new ATOM 0 HA ILE A 39 3.385 0.653 -9.773 1.00 0.00 H new ATOM 0 HB ILE A 39 0.893 1.718 -8.334 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.895 1.016 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.433 0.106 -6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.080 -0.531 -8.635 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.215 0.268 -10.197 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.320 -1.004 -9.626 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.387 -1.410 -6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.231 -1.733 -8.082 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.716 -0.809 -8.411 1.00 0.00 H new ATOM 643 N VAL A 40 1.321 2.983 -10.897 1.00 0.00 N ATOM 644 CA VAL A 40 0.733 3.480 -12.193 1.00 0.00 C ATOM 645 C VAL A 40 1.865 3.823 -13.176 1.00 0.00 C ATOM 646 O VAL A 40 1.748 3.590 -14.364 1.00 0.00 O ATOM 647 CB VAL A 40 -0.091 4.738 -11.857 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.708 5.311 -13.138 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.211 4.369 -10.876 1.00 0.00 C ATOM 0 H VAL A 40 1.100 3.543 -10.073 1.00 0.00 H new ATOM 0 HA VAL A 40 0.103 2.724 -12.661 1.00 0.00 H new ATOM 0 HB VAL A 40 0.562 5.484 -11.405 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.290 6.200 -12.895 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.085 5.576 -13.837 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.359 4.565 -13.594 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.794 5.259 -10.638 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.860 3.620 -11.330 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.776 3.965 -9.962 1.00 0.00 H new ATOM 659 N ASN A 41 2.963 4.373 -12.694 1.00 0.00 N ATOM 660 CA ASN A 41 4.097 4.722 -13.623 1.00 0.00 C ATOM 661 C ASN A 41 4.566 3.478 -14.394 1.00 0.00 C ATOM 662 O ASN A 41 4.923 3.569 -15.554 1.00 0.00 O ATOM 663 CB ASN A 41 5.239 5.265 -12.749 1.00 0.00 C ATOM 664 CG ASN A 41 5.060 6.776 -12.552 1.00 0.00 C ATOM 665 OD1 ASN A 41 5.202 7.537 -13.488 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.753 7.251 -11.369 1.00 0.00 N ATOM 0 H ASN A 41 3.122 4.593 -11.711 1.00 0.00 H new ATOM 0 HA ASN A 41 3.779 5.462 -14.358 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.244 4.760 -11.783 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.200 5.060 -13.220 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.634 8.256 -11.238 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.633 6.616 -10.580 1.00 0.00 H new ATOM 673 N GLY A 42 4.573 2.316 -13.768 1.00 0.00 N ATOM 674 CA GLY A 42 5.029 1.086 -14.499 1.00 0.00 C ATOM 675 C GLY A 42 4.787 -0.171 -13.647 1.00 0.00 C ATOM 676 O GLY A 42 4.181 -1.124 -14.103 1.00 0.00 O ATOM 0 H GLY A 42 4.288 2.170 -12.800 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.494 0.999 -15.445 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.089 1.171 -14.739 1.00 0.00 H new ATOM 680 N GLY A 43 5.257 -0.185 -12.418 1.00 0.00 N ATOM 681 CA GLY A 43 5.053 -1.382 -11.553 1.00 0.00 C ATOM 682 C GLY A 43 6.370 -2.162 -11.438 1.00 0.00 C ATOM 683 O GLY A 43 6.408 -3.356 -11.668 1.00 0.00 O ATOM 0 H GLY A 43 5.771 0.581 -11.983 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.712 -1.075 -10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.276 -2.020 -11.974 1.00 0.00 H new ATOM 687 N THR A 44 7.448 -1.500 -11.071 1.00 0.00 N ATOM 688 CA THR A 44 8.754 -2.211 -10.925 1.00 0.00 C ATOM 689 C THR A 44 9.155 -2.208 -9.443 1.00 0.00 C ATOM 690 O THR A 44 9.542 -1.189 -8.907 1.00 0.00 O ATOM 691 CB THR A 44 9.743 -1.403 -11.771 1.00 0.00 C ATOM 692 OG1 THR A 44 9.465 -0.016 -11.620 1.00 0.00 O ATOM 693 CG2 THR A 44 9.595 -1.802 -13.242 1.00 0.00 C ATOM 0 H THR A 44 7.474 -0.501 -10.868 1.00 0.00 H new ATOM 0 HA THR A 44 8.720 -3.251 -11.251 1.00 0.00 H new ATOM 0 HB THR A 44 10.762 -1.606 -11.442 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.097 0.505 -12.158 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.297 -1.229 -13.847 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.804 -2.866 -13.353 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.578 -1.596 -13.574 1.00 0.00 H new ATOM 701 N VAL A 45 9.031 -3.335 -8.762 1.00 0.00 N ATOM 702 CA VAL A 45 9.374 -3.373 -7.286 1.00 0.00 C ATOM 703 C VAL A 45 10.755 -2.744 -7.021 1.00 0.00 C ATOM 704 O VAL A 45 10.942 -2.070 -6.027 1.00 0.00 O ATOM 705 CB VAL A 45 9.358 -4.857 -6.858 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.753 -4.981 -5.379 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.947 -5.428 -7.040 1.00 0.00 C ATOM 0 H VAL A 45 8.712 -4.220 -9.156 1.00 0.00 H new ATOM 0 HA VAL A 45 8.651 -2.795 -6.711 1.00 0.00 H new ATOM 0 HB VAL A 45 10.068 -5.409 -7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.739 -6.031 -5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.755 -4.577 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.045 -4.423 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.937 -6.475 -6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.245 -4.866 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.655 -5.350 -8.087 1.00 0.00 H new ATOM 717 N GLU A 46 11.717 -2.946 -7.892 1.00 0.00 N ATOM 718 CA GLU A 46 13.070 -2.331 -7.644 1.00 0.00 C ATOM 719 C GLU A 46 12.956 -0.803 -7.693 1.00 0.00 C ATOM 720 O GLU A 46 13.374 -0.122 -6.776 1.00 0.00 O ATOM 721 CB GLU A 46 14.008 -2.840 -8.751 1.00 0.00 C ATOM 722 CG GLU A 46 15.448 -2.438 -8.424 1.00 0.00 C ATOM 723 CD GLU A 46 15.714 -1.024 -8.942 1.00 0.00 C ATOM 724 OE1 GLU A 46 15.567 -0.814 -10.135 1.00 0.00 O ATOM 725 OE2 GLU A 46 16.059 -0.175 -8.138 1.00 0.00 O ATOM 0 H GLU A 46 11.632 -3.497 -8.746 1.00 0.00 H new ATOM 0 HA GLU A 46 13.458 -2.607 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.932 -3.924 -8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.712 -2.423 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.612 -2.479 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.145 -3.141 -8.880 1.00 0.00 H new ATOM 732 N SER A 47 12.377 -0.255 -8.742 1.00 0.00 N ATOM 733 CA SER A 47 12.231 1.241 -8.803 1.00 0.00 C ATOM 734 C SER A 47 11.186 1.698 -7.774 1.00 0.00 C ATOM 735 O SER A 47 11.332 2.743 -7.168 1.00 0.00 O ATOM 736 CB SER A 47 11.772 1.590 -10.225 1.00 0.00 C ATOM 737 OG SER A 47 12.303 2.858 -10.591 1.00 0.00 O ATOM 0 H SER A 47 12.006 -0.766 -9.543 1.00 0.00 H new ATOM 0 HA SER A 47 13.171 1.741 -8.572 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.108 0.826 -10.926 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.683 1.611 -10.274 1.00 0.00 H new ATOM 0 HG SER A 47 11.929 3.550 -10.007 1.00 0.00 H new ATOM 743 N VAL A 48 10.139 0.925 -7.558 1.00 0.00 N ATOM 744 CA VAL A 48 9.104 1.337 -6.547 1.00 0.00 C ATOM 745 C VAL A 48 9.674 1.201 -5.126 1.00 0.00 C ATOM 746 O VAL A 48 9.377 2.011 -4.266 1.00 0.00 O ATOM 747 CB VAL A 48 7.886 0.410 -6.738 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.769 0.824 -5.774 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.375 0.521 -8.180 1.00 0.00 C ATOM 0 H VAL A 48 9.959 0.039 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 48 8.813 2.378 -6.686 1.00 0.00 H new ATOM 0 HB VAL A 48 8.183 -0.619 -6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.909 0.168 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.127 0.745 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.476 1.854 -5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.515 -0.135 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.081 1.551 -8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.166 0.226 -8.870 1.00 0.00 H new ATOM 759 N VAL A 49 10.508 0.209 -4.866 1.00 0.00 N ATOM 760 CA VAL A 49 11.094 0.087 -3.484 1.00 0.00 C ATOM 761 C VAL A 49 12.203 1.141 -3.318 1.00 0.00 C ATOM 762 O VAL A 49 12.340 1.737 -2.266 1.00 0.00 O ATOM 763 CB VAL A 49 11.651 -1.347 -3.356 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.429 -1.501 -2.044 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.487 -2.342 -3.361 1.00 0.00 C ATOM 0 H VAL A 49 10.801 -0.504 -5.534 1.00 0.00 H new ATOM 0 HA VAL A 49 10.352 0.262 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 49 12.319 -1.542 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.816 -2.517 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.259 -0.795 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.766 -1.301 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.875 -3.357 -3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.824 -2.131 -2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.932 -2.248 -4.294 1.00 0.00 H new ATOM 775 N ASP A 50 12.984 1.391 -4.351 1.00 0.00 N ATOM 776 CA ASP A 50 14.065 2.433 -4.230 1.00 0.00 C ATOM 777 C ASP A 50 13.433 3.830 -4.112 1.00 0.00 C ATOM 778 O ASP A 50 13.935 4.676 -3.395 1.00 0.00 O ATOM 779 CB ASP A 50 14.921 2.339 -5.503 1.00 0.00 C ATOM 780 CG ASP A 50 16.367 2.717 -5.174 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.594 3.863 -4.825 1.00 0.00 O ATOM 782 OD2 ASP A 50 17.222 1.852 -5.276 1.00 0.00 O ATOM 0 H ASP A 50 12.922 0.928 -5.258 1.00 0.00 H new ATOM 0 HA ASP A 50 14.675 2.267 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.881 1.327 -5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.525 3.005 -6.270 1.00 0.00 H new ATOM 787 N GLU A 51 12.331 4.082 -4.795 1.00 0.00 N ATOM 788 CA GLU A 51 11.687 5.441 -4.683 1.00 0.00 C ATOM 789 C GLU A 51 11.048 5.588 -3.297 1.00 0.00 C ATOM 790 O GLU A 51 11.161 6.623 -2.667 1.00 0.00 O ATOM 791 CB GLU A 51 10.609 5.540 -5.786 1.00 0.00 C ATOM 792 CG GLU A 51 11.048 6.555 -6.847 1.00 0.00 C ATOM 793 CD GLU A 51 10.633 6.060 -8.236 1.00 0.00 C ATOM 794 OE1 GLU A 51 11.080 4.993 -8.620 1.00 0.00 O ATOM 795 OE2 GLU A 51 9.875 6.757 -8.889 1.00 0.00 O ATOM 0 H GLU A 51 11.859 3.421 -5.412 1.00 0.00 H new ATOM 0 HA GLU A 51 12.423 6.235 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.454 4.564 -6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.657 5.843 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.595 7.526 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.128 6.693 -6.807 1.00 0.00 H new ATOM 802 N LEU A 52 10.397 4.555 -2.803 1.00 0.00 N ATOM 803 CA LEU A 52 9.778 4.654 -1.437 1.00 0.00 C ATOM 804 C LEU A 52 10.889 4.676 -0.381 1.00 0.00 C ATOM 805 O LEU A 52 10.807 5.406 0.587 1.00 0.00 O ATOM 806 CB LEU A 52 8.885 3.417 -1.254 1.00 0.00 C ATOM 807 CG LEU A 52 7.731 3.469 -2.255 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.039 2.106 -2.309 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.722 4.533 -1.815 1.00 0.00 C ATOM 0 H LEU A 52 10.269 3.662 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 52 9.188 5.564 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.469 2.509 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.496 3.383 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 52 8.119 3.720 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.216 2.144 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.756 1.346 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.651 1.855 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.899 4.571 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.335 4.281 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.213 5.506 -1.775 1.00 0.00 H new ATOM 821 N ALA A 53 11.937 3.897 -0.563 1.00 0.00 N ATOM 822 CA ALA A 53 13.056 3.913 0.443 1.00 0.00 C ATOM 823 C ALA A 53 13.726 5.296 0.443 1.00 0.00 C ATOM 824 O ALA A 53 14.087 5.809 1.485 1.00 0.00 O ATOM 825 CB ALA A 53 14.061 2.832 0.016 1.00 0.00 C ATOM 0 H ALA A 53 12.065 3.261 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 53 12.688 3.715 1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.892 2.809 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.567 1.860 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.437 3.059 -0.981 1.00 0.00 H new ATOM 831 N SER A 54 13.888 5.910 -0.713 1.00 0.00 N ATOM 832 CA SER A 54 14.533 7.273 -0.751 1.00 0.00 C ATOM 833 C SER A 54 13.744 8.268 0.120 1.00 0.00 C ATOM 834 O SER A 54 14.323 9.140 0.741 1.00 0.00 O ATOM 835 CB SER A 54 14.518 7.732 -2.218 1.00 0.00 C ATOM 836 OG SER A 54 15.020 9.059 -2.301 1.00 0.00 O ATOM 0 H SER A 54 13.607 5.535 -1.619 1.00 0.00 H new ATOM 0 HA SER A 54 15.550 7.229 -0.362 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.126 7.062 -2.827 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.503 7.690 -2.614 1.00 0.00 H new ATOM 0 HG SER A 54 15.013 9.354 -3.236 1.00 0.00 H new ATOM 842 N LEU A 55 12.432 8.145 0.179 1.00 0.00 N ATOM 843 CA LEU A 55 11.631 9.095 1.024 1.00 0.00 C ATOM 844 C LEU A 55 11.336 8.462 2.392 1.00 0.00 C ATOM 845 O LEU A 55 11.425 9.117 3.413 1.00 0.00 O ATOM 846 CB LEU A 55 10.328 9.351 0.255 1.00 0.00 C ATOM 847 CG LEU A 55 10.623 10.203 -0.980 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.546 9.956 -2.038 1.00 0.00 C ATOM 849 CD2 LEU A 55 10.623 11.682 -0.589 1.00 0.00 C ATOM 0 H LEU A 55 11.889 7.437 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 55 12.169 10.025 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.877 8.404 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.608 9.859 0.897 1.00 0.00 H new ATOM 0 HG LEU A 55 11.599 9.933 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.755 10.563 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.544 8.902 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.570 10.227 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.833 12.291 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.647 11.952 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.389 11.859 0.166 1.00 0.00 H new ATOM 861 N PHE A 56 10.996 7.192 2.422 1.00 0.00 N ATOM 862 CA PHE A 56 10.711 6.520 3.727 1.00 0.00 C ATOM 863 C PHE A 56 11.882 5.597 4.094 1.00 0.00 C ATOM 864 O PHE A 56 11.782 4.389 3.985 1.00 0.00 O ATOM 865 CB PHE A 56 9.428 5.707 3.508 1.00 0.00 C ATOM 866 CG PHE A 56 8.301 6.635 3.117 1.00 0.00 C ATOM 867 CD1 PHE A 56 7.778 7.534 4.054 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.782 6.597 1.817 1.00 0.00 C ATOM 869 CE1 PHE A 56 6.736 8.395 3.691 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.740 7.459 1.455 1.00 0.00 C ATOM 871 CZ PHE A 56 6.217 8.357 2.392 1.00 0.00 C ATOM 0 H PHE A 56 10.905 6.596 1.599 1.00 0.00 H new ATOM 0 HA PHE A 56 10.588 7.234 4.541 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.586 4.962 2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.168 5.166 4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.178 7.563 5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.185 5.903 1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.332 9.089 4.414 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.340 7.431 0.452 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.412 9.021 2.113 1.00 0.00 H new ATOM 881 N ASP A 57 12.993 6.154 4.537 1.00 0.00 N ATOM 882 CA ASP A 57 14.163 5.291 4.915 1.00 0.00 C ATOM 883 C ASP A 57 14.246 5.109 6.446 1.00 0.00 C ATOM 884 O ASP A 57 15.318 4.903 6.985 1.00 0.00 O ATOM 885 CB ASP A 57 15.417 6.009 4.377 1.00 0.00 C ATOM 886 CG ASP A 57 15.635 7.341 5.108 1.00 0.00 C ATOM 887 OD1 ASP A 57 14.746 8.175 5.056 1.00 0.00 O ATOM 888 OD2 ASP A 57 16.686 7.501 5.705 1.00 0.00 O ATOM 0 H ASP A 57 13.137 7.157 4.651 1.00 0.00 H new ATOM 0 HA ASP A 57 14.067 4.291 4.491 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.291 5.371 4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.308 6.189 3.307 1.00 0.00 H new ATOM 893 N SER A 58 13.132 5.170 7.153 1.00 0.00 N ATOM 894 CA SER A 58 13.181 4.983 8.642 1.00 0.00 C ATOM 895 C SER A 58 12.827 3.531 9.009 1.00 0.00 C ATOM 896 O SER A 58 13.405 2.964 9.918 1.00 0.00 O ATOM 897 CB SER A 58 12.147 5.953 9.226 1.00 0.00 C ATOM 898 OG SER A 58 10.854 5.372 9.133 1.00 0.00 O ATOM 0 H SER A 58 12.204 5.339 6.766 1.00 0.00 H new ATOM 0 HA SER A 58 14.177 5.181 9.038 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.385 6.174 10.267 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.173 6.899 8.686 1.00 0.00 H new ATOM 0 HG SER A 58 10.191 5.989 9.507 1.00 0.00 H new ATOM 904 N VAL A 59 11.890 2.922 8.310 1.00 0.00 N ATOM 905 CA VAL A 59 11.520 1.502 8.632 1.00 0.00 C ATOM 906 C VAL A 59 12.350 0.527 7.775 1.00 0.00 C ATOM 907 O VAL A 59 12.841 0.885 6.721 1.00 0.00 O ATOM 908 CB VAL A 59 10.013 1.366 8.332 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.740 1.522 6.826 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.530 -0.008 8.805 1.00 0.00 C ATOM 0 H VAL A 59 11.371 3.343 7.539 1.00 0.00 H new ATOM 0 HA VAL A 59 11.727 1.260 9.674 1.00 0.00 H new ATOM 0 HB VAL A 59 9.475 2.153 8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.671 1.422 6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.077 2.504 6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.279 0.750 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.465 -0.111 8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.080 -0.788 8.279 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.700 -0.104 9.877 1.00 0.00 H new ATOM 920 N SER A 60 12.518 -0.699 8.227 1.00 0.00 N ATOM 921 CA SER A 60 13.336 -1.694 7.433 1.00 0.00 C ATOM 922 C SER A 60 12.831 -1.791 5.980 1.00 0.00 C ATOM 923 O SER A 60 11.645 -1.715 5.727 1.00 0.00 O ATOM 924 CB SER A 60 13.175 -3.052 8.132 1.00 0.00 C ATOM 925 OG SER A 60 12.783 -2.841 9.482 1.00 0.00 O ATOM 0 H SER A 60 12.131 -1.055 9.101 1.00 0.00 H new ATOM 0 HA SER A 60 14.380 -1.383 7.393 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.429 -3.654 7.614 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.113 -3.606 8.096 1.00 0.00 H new ATOM 0 HG SER A 60 12.678 -3.706 9.931 1.00 0.00 H new ATOM 931 N ARG A 61 13.727 -1.970 5.024 1.00 0.00 N ATOM 932 CA ARG A 61 13.290 -2.080 3.581 1.00 0.00 C ATOM 933 C ARG A 61 12.207 -3.161 3.419 1.00 0.00 C ATOM 934 O ARG A 61 11.311 -3.024 2.608 1.00 0.00 O ATOM 935 CB ARG A 61 14.538 -2.470 2.772 1.00 0.00 C ATOM 936 CG ARG A 61 15.442 -1.246 2.599 1.00 0.00 C ATOM 937 CD ARG A 61 15.175 -0.598 1.238 1.00 0.00 C ATOM 938 NE ARG A 61 15.965 -1.405 0.266 1.00 0.00 N ATOM 939 CZ ARG A 61 17.019 -0.889 -0.305 1.00 0.00 C ATOM 940 NH1 ARG A 61 17.872 -0.199 0.401 1.00 0.00 N ATOM 941 NH2 ARG A 61 17.219 -1.062 -1.582 1.00 0.00 N ATOM 0 H ARG A 61 14.733 -2.044 5.178 1.00 0.00 H new ATOM 0 HA ARG A 61 12.866 -1.137 3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.080 -3.266 3.282 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.245 -2.859 1.797 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.256 -0.528 3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.489 -1.541 2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 61 14.113 -0.615 0.994 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.487 0.446 1.230 1.00 0.00 H new ATOM 0 HE ARG A 61 15.682 -2.360 0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.715 -0.063 1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.696 0.204 -0.046 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.552 -1.601 -2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.043 -0.659 -2.028 1.00 0.00 H new ATOM 955 N ASP A 62 12.279 -4.236 4.181 1.00 0.00 N ATOM 956 CA ASP A 62 11.234 -5.318 4.048 1.00 0.00 C ATOM 957 C ASP A 62 9.827 -4.735 4.258 1.00 0.00 C ATOM 958 O ASP A 62 8.886 -5.140 3.601 1.00 0.00 O ATOM 959 CB ASP A 62 11.539 -6.366 5.131 1.00 0.00 C ATOM 960 CG ASP A 62 11.045 -7.738 4.666 1.00 0.00 C ATOM 961 OD1 ASP A 62 9.856 -7.870 4.431 1.00 0.00 O ATOM 962 OD2 ASP A 62 11.867 -8.633 4.553 1.00 0.00 O ATOM 0 H ASP A 62 13.003 -4.411 4.878 1.00 0.00 H new ATOM 0 HA ASP A 62 11.261 -5.762 3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.611 -6.401 5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.052 -6.090 6.067 1.00 0.00 H new ATOM 967 N THR A 63 9.673 -3.788 5.161 1.00 0.00 N ATOM 968 CA THR A 63 8.307 -3.193 5.384 1.00 0.00 C ATOM 969 C THR A 63 7.867 -2.435 4.122 1.00 0.00 C ATOM 970 O THR A 63 6.732 -2.547 3.694 1.00 0.00 O ATOM 971 CB THR A 63 8.427 -2.228 6.581 1.00 0.00 C ATOM 972 OG1 THR A 63 8.801 -2.964 7.742 1.00 0.00 O ATOM 973 CG2 THR A 63 7.082 -1.540 6.831 1.00 0.00 C ATOM 0 H THR A 63 10.418 -3.407 5.744 1.00 0.00 H new ATOM 0 HA THR A 63 7.564 -3.964 5.590 1.00 0.00 H new ATOM 0 HB THR A 63 9.182 -1.473 6.361 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.435 -2.526 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.173 -0.860 7.678 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.790 -0.978 5.944 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.324 -2.292 7.050 1.00 0.00 H new ATOM 981 N LEU A 64 8.754 -1.676 3.517 1.00 0.00 N ATOM 982 CA LEU A 64 8.362 -0.930 2.270 1.00 0.00 C ATOM 983 C LEU A 64 8.107 -1.938 1.145 1.00 0.00 C ATOM 984 O LEU A 64 7.125 -1.844 0.432 1.00 0.00 O ATOM 985 CB LEU A 64 9.537 -0.005 1.907 1.00 0.00 C ATOM 986 CG LEU A 64 9.851 0.932 3.089 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.285 0.699 3.570 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.704 2.391 2.644 1.00 0.00 C ATOM 0 H LEU A 64 9.717 -1.541 3.825 1.00 0.00 H new ATOM 0 HA LEU A 64 7.454 -0.345 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.416 -0.600 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.290 0.582 1.022 1.00 0.00 H new ATOM 0 HG LEU A 64 9.155 0.723 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.501 1.364 4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.397 -0.336 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.980 0.903 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.927 3.051 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.397 2.594 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.683 2.567 2.305 1.00 0.00 H new ATOM 1000 N ALA A 65 8.975 -2.916 0.993 1.00 0.00 N ATOM 1001 CA ALA A 65 8.753 -3.945 -0.085 1.00 0.00 C ATOM 1002 C ALA A 65 7.436 -4.694 0.177 1.00 0.00 C ATOM 1003 O ALA A 65 6.716 -5.024 -0.747 1.00 0.00 O ATOM 1004 CB ALA A 65 9.941 -4.920 -0.020 1.00 0.00 C ATOM 0 H ALA A 65 9.814 -3.047 1.557 1.00 0.00 H new ATOM 0 HA ALA A 65 8.686 -3.481 -1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.824 -5.687 -0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.869 -4.375 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.972 -5.390 0.963 1.00 0.00 H new ATOM 1010 N ASN A 66 7.108 -4.963 1.427 1.00 0.00 N ATOM 1011 CA ASN A 66 5.822 -5.693 1.722 1.00 0.00 C ATOM 1012 C ASN A 66 4.627 -4.887 1.192 1.00 0.00 C ATOM 1013 O ASN A 66 3.701 -5.449 0.638 1.00 0.00 O ATOM 1014 CB ASN A 66 5.728 -5.832 3.251 1.00 0.00 C ATOM 1015 CG ASN A 66 6.612 -6.998 3.714 1.00 0.00 C ATOM 1016 OD1 ASN A 66 7.599 -7.310 3.080 1.00 0.00 O ATOM 1017 ND2 ASN A 66 6.300 -7.663 4.800 1.00 0.00 N ATOM 0 H ASN A 66 7.665 -4.713 2.244 1.00 0.00 H new ATOM 0 HA ASN A 66 5.808 -6.670 1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.047 -4.907 3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.694 -6.005 3.548 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.886 -8.439 5.109 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.472 -7.404 5.336 1.00 0.00 H new ATOM 1024 N VAL A 67 4.639 -3.574 1.340 1.00 0.00 N ATOM 1025 CA VAL A 67 3.485 -2.763 0.813 1.00 0.00 C ATOM 1026 C VAL A 67 3.549 -2.729 -0.724 1.00 0.00 C ATOM 1027 O VAL A 67 2.536 -2.835 -1.387 1.00 0.00 O ATOM 1028 CB VAL A 67 3.618 -1.351 1.407 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.466 -0.476 0.911 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.563 -1.437 2.936 1.00 0.00 C ATOM 0 H VAL A 67 5.381 -3.040 1.793 1.00 0.00 H new ATOM 0 HA VAL A 67 2.525 -3.194 1.095 1.00 0.00 H new ATOM 0 HB VAL A 67 4.567 -0.915 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.561 0.525 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.497 -0.416 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.517 -0.912 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.657 -0.437 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.612 -1.873 3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.381 -2.062 3.295 1.00 0.00 H new ATOM 1040 N VAL A 68 4.730 -2.616 -1.299 1.00 0.00 N ATOM 1041 CA VAL A 68 4.817 -2.623 -2.804 1.00 0.00 C ATOM 1042 C VAL A 68 4.355 -4.000 -3.327 1.00 0.00 C ATOM 1043 O VAL A 68 3.778 -4.091 -4.395 1.00 0.00 O ATOM 1044 CB VAL A 68 6.293 -2.367 -3.167 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.471 -2.416 -4.687 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.708 -0.985 -2.656 1.00 0.00 C ATOM 0 H VAL A 68 5.618 -2.521 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 68 4.181 -1.860 -3.253 1.00 0.00 H new ATOM 0 HB VAL A 68 6.914 -3.135 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.516 -2.234 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.175 -3.398 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.849 -1.651 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.752 -0.801 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.081 -0.223 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.587 -0.946 -1.573 1.00 0.00 H new ATOM 1056 N GLN A 69 4.592 -5.072 -2.584 1.00 0.00 N ATOM 1057 CA GLN A 69 4.142 -6.426 -3.068 1.00 0.00 C ATOM 1058 C GLN A 69 2.611 -6.471 -3.150 1.00 0.00 C ATOM 1059 O GLN A 69 2.056 -6.848 -4.165 1.00 0.00 O ATOM 1060 CB GLN A 69 4.649 -7.457 -2.047 1.00 0.00 C ATOM 1061 CG GLN A 69 6.094 -7.837 -2.378 1.00 0.00 C ATOM 1062 CD GLN A 69 6.103 -8.914 -3.469 1.00 0.00 C ATOM 1063 OE1 GLN A 69 5.261 -8.909 -4.345 1.00 0.00 O ATOM 1064 NE2 GLN A 69 7.025 -9.846 -3.460 1.00 0.00 N ATOM 0 H GLN A 69 5.068 -5.066 -1.682 1.00 0.00 H new ATOM 0 HA GLN A 69 4.536 -6.638 -4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.592 -7.045 -1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.016 -8.344 -2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.644 -6.958 -2.715 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.598 -8.205 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.734 -9.855 -2.727 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.033 -10.562 -4.186 1.00 0.00 H new ATOM 1073 N THR A 70 1.918 -6.086 -2.094 1.00 0.00 N ATOM 1074 CA THR A 70 0.410 -6.115 -2.153 1.00 0.00 C ATOM 1075 C THR A 70 -0.098 -5.213 -3.295 1.00 0.00 C ATOM 1076 O THR A 70 -1.127 -5.492 -3.885 1.00 0.00 O ATOM 1077 CB THR A 70 -0.121 -5.636 -0.785 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.541 -5.649 -0.805 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.368 -4.220 -0.483 1.00 0.00 C ATOM 0 H THR A 70 2.318 -5.760 -1.214 1.00 0.00 H new ATOM 0 HA THR A 70 0.051 -7.124 -2.356 1.00 0.00 H new ATOM 0 HB THR A 70 0.250 -6.306 -0.009 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.883 -5.347 0.062 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.017 -3.901 0.485 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.458 -4.208 -0.462 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.013 -3.540 -1.257 1.00 0.00 H new ATOM 1087 N ALA A 71 0.618 -4.155 -3.641 1.00 0.00 N ATOM 1088 CA ALA A 71 0.151 -3.288 -4.782 1.00 0.00 C ATOM 1089 C ALA A 71 0.345 -4.051 -6.104 1.00 0.00 C ATOM 1090 O ALA A 71 -0.480 -3.968 -6.994 1.00 0.00 O ATOM 1091 CB ALA A 71 1.013 -2.012 -4.777 1.00 0.00 C ATOM 0 H ALA A 71 1.486 -3.861 -3.193 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.903 -3.031 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.701 -1.359 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.887 -1.492 -3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.061 -2.281 -4.907 1.00 0.00 H new ATOM 1097 N PHE A 72 1.420 -4.812 -6.233 1.00 0.00 N ATOM 1098 CA PHE A 72 1.629 -5.590 -7.504 1.00 0.00 C ATOM 1099 C PHE A 72 0.556 -6.681 -7.584 1.00 0.00 C ATOM 1100 O PHE A 72 -0.131 -6.811 -8.580 1.00 0.00 O ATOM 1101 CB PHE A 72 3.027 -6.228 -7.414 1.00 0.00 C ATOM 1102 CG PHE A 72 4.079 -5.246 -7.878 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.139 -3.959 -7.327 1.00 0.00 C ATOM 1104 CD2 PHE A 72 5.001 -5.626 -8.861 1.00 0.00 C ATOM 1105 CE1 PHE A 72 5.116 -3.058 -7.757 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.979 -4.722 -9.291 1.00 0.00 C ATOM 1107 CZ PHE A 72 6.035 -3.439 -8.737 1.00 0.00 C ATOM 0 H PHE A 72 2.146 -4.925 -5.526 1.00 0.00 H new ATOM 0 HA PHE A 72 1.557 -4.957 -8.388 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.231 -6.532 -6.387 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.064 -7.129 -8.027 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.429 -3.663 -6.569 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.957 -6.617 -9.288 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.161 -2.066 -7.331 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.690 -5.015 -10.050 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.790 -2.742 -9.068 1.00 0.00 H new ATOM 1117 N PHE A 73 0.388 -7.453 -6.527 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.674 -8.519 -6.545 1.00 0.00 C ATOM 1119 C PHE A 73 -2.051 -7.847 -6.689 1.00 0.00 C ATOM 1120 O PHE A 73 -2.906 -8.328 -7.409 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.564 -9.266 -5.200 1.00 0.00 C ATOM 1122 CG PHE A 73 -1.654 -10.306 -5.087 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -1.843 -11.243 -6.111 1.00 0.00 C ATOM 1124 CD2 PHE A 73 -2.475 -10.332 -3.955 1.00 0.00 C ATOM 1125 CE1 PHE A 73 -2.855 -12.205 -6.001 1.00 0.00 C ATOM 1126 CE2 PHE A 73 -3.487 -11.293 -3.844 1.00 0.00 C ATOM 1127 CZ PHE A 73 -3.677 -12.230 -4.868 1.00 0.00 C ATOM 0 H PHE A 73 0.932 -7.392 -5.666 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.550 -9.214 -7.376 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.413 -9.743 -5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.641 -8.557 -4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.209 -11.224 -6.985 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.328 -9.610 -3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.001 -12.928 -6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.121 -11.312 -2.970 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.458 -12.972 -4.783 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.273 -6.731 -6.015 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.605 -6.038 -6.138 1.00 0.00 C ATOM 1139 C ALA A 74 -3.860 -5.648 -7.601 1.00 0.00 C ATOM 1140 O ALA A 74 -4.973 -5.751 -8.082 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.537 -4.779 -5.259 1.00 0.00 C ATOM 0 H ALA A 74 -1.601 -6.278 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.417 -6.691 -5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.484 -4.243 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.346 -5.067 -4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.732 -4.133 -5.610 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.844 -5.204 -8.318 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.070 -4.817 -9.764 1.00 0.00 C ATOM 1149 C LEU A 75 -3.622 -6.021 -10.545 1.00 0.00 C ATOM 1150 O LEU A 75 -4.509 -5.874 -11.366 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.708 -4.379 -10.351 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.791 -2.920 -10.810 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.385 -2.403 -11.121 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -2.658 -2.830 -12.069 1.00 0.00 C ATOM 0 H LEU A 75 -1.889 -5.094 -7.978 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.792 -4.004 -9.837 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.925 -4.491 -9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.439 -5.020 -11.191 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.234 -2.315 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.443 -1.365 -11.448 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.233 -2.467 -10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.058 -3.008 -11.912 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.718 -1.792 -12.396 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.215 -3.435 -12.860 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.660 -3.199 -11.848 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.117 -7.210 -10.290 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.645 -8.414 -11.029 1.00 0.00 C ATOM 1168 C GLU A 76 -5.093 -8.685 -10.601 1.00 0.00 C ATOM 1169 O GLU A 76 -5.934 -8.997 -11.423 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.743 -9.600 -10.651 1.00 0.00 C ATOM 1171 CG GLU A 76 -3.171 -10.839 -11.441 1.00 0.00 C ATOM 1172 CD GLU A 76 -2.719 -12.099 -10.699 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -1.633 -12.078 -10.143 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -3.467 -13.062 -10.700 1.00 0.00 O ATOM 0 H GLU A 76 -2.376 -7.400 -9.615 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.638 -8.255 -12.107 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.701 -9.361 -10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.812 -9.796 -9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.254 -10.847 -11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.734 -10.816 -12.439 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.395 -8.558 -9.325 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.811 -8.802 -8.870 1.00 0.00 C ATOM 1183 C ALA A 77 -7.739 -7.746 -9.484 1.00 0.00 C ATOM 1184 O ALA A 77 -8.840 -8.055 -9.902 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.815 -8.691 -7.338 1.00 0.00 C ATOM 0 H ALA A 77 -4.737 -8.301 -8.590 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.164 -9.784 -9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.824 -8.861 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.141 -9.437 -6.917 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.482 -7.695 -7.044 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.306 -6.502 -9.550 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.189 -5.439 -10.157 1.00 0.00 C ATOM 1193 C LEU A 78 -8.506 -5.796 -11.618 1.00 0.00 C ATOM 1194 O LEU A 78 -9.616 -5.599 -12.076 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.408 -4.115 -10.093 1.00 0.00 C ATOM 1196 CG LEU A 78 -7.766 -3.377 -8.802 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -6.720 -2.294 -8.527 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -9.148 -2.731 -8.949 1.00 0.00 C ATOM 0 H LEU A 78 -6.397 -6.179 -9.217 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.133 -5.358 -9.617 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.336 -4.310 -10.128 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.648 -3.496 -10.957 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.783 -4.083 -7.972 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.974 -1.768 -7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.738 -2.755 -8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.702 -1.587 -9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.403 -2.205 -8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.133 -2.024 -9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.892 -3.504 -9.144 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.547 -6.328 -12.356 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.829 -6.695 -13.792 1.00 0.00 C ATOM 1212 C GLN A 79 -9.013 -7.678 -13.877 1.00 0.00 C ATOM 1213 O GLN A 79 -9.769 -7.651 -14.831 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.557 -7.361 -14.347 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.713 -6.317 -15.082 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.825 -5.575 -14.075 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -5.279 -4.664 -13.412 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.570 -5.923 -13.929 1.00 0.00 N ATOM 0 H GLN A 79 -6.599 -6.521 -12.033 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.092 -5.807 -14.367 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.981 -7.803 -13.534 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.824 -8.171 -15.025 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.096 -6.800 -15.840 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.361 -5.611 -15.601 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.185 -6.687 -14.484 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.978 -5.429 -13.261 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.185 -8.542 -12.895 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.335 -9.511 -12.950 1.00 0.00 C ATOM 1229 C GLN A 80 -11.604 -8.861 -12.382 1.00 0.00 C ATOM 1230 O GLN A 80 -12.626 -8.813 -13.043 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.928 -10.722 -12.098 1.00 0.00 C ATOM 1232 CG GLN A 80 -10.453 -12.004 -12.747 1.00 0.00 C ATOM 1233 CD GLN A 80 -10.504 -13.125 -11.701 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -9.590 -13.271 -10.913 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -11.537 -13.930 -11.654 1.00 0.00 N ATOM 0 H GLN A 80 -8.589 -8.617 -12.071 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.551 -9.809 -13.976 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.843 -10.767 -12.006 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.330 -10.622 -11.090 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -11.447 -11.834 -13.161 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.808 -12.295 -13.576 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -12.306 -13.811 -12.313 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.572 -14.675 -10.958 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.551 -8.356 -11.170 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.759 -7.708 -10.576 1.00 0.00 C ATOM 1246 C GLY A 81 -12.834 -8.013 -9.073 1.00 0.00 C ATOM 1247 O GLY A 81 -13.587 -8.870 -8.650 1.00 0.00 O ATOM 0 H GLY A 81 -10.725 -8.366 -10.571 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.719 -6.630 -10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.658 -8.070 -11.074 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.067 -7.317 -8.258 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.111 -7.570 -6.785 1.00 0.00 C ATOM 1253 C GLU A 82 -12.633 -6.322 -6.057 1.00 0.00 C ATOM 1254 O GLU A 82 -12.851 -5.294 -6.671 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.663 -7.863 -6.387 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.632 -9.015 -5.379 1.00 0.00 C ATOM 1257 CD GLU A 82 -9.447 -8.831 -4.430 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -8.356 -9.244 -4.788 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -9.650 -8.280 -3.360 1.00 0.00 O ATOM 0 H GLU A 82 -11.417 -6.589 -8.553 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.774 -8.394 -6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.078 -8.122 -7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.207 -6.973 -5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.563 -9.043 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.548 -9.968 -5.902 1.00 0.00 H new ATOM 1266 N SER A 83 -12.840 -6.396 -4.756 1.00 0.00 N ATOM 1267 CA SER A 83 -13.348 -5.201 -4.015 1.00 0.00 C ATOM 1268 C SER A 83 -12.298 -4.699 -3.012 1.00 0.00 C ATOM 1269 O SER A 83 -11.732 -5.472 -2.263 1.00 0.00 O ATOM 1270 CB SER A 83 -14.596 -5.681 -3.276 1.00 0.00 C ATOM 1271 OG SER A 83 -15.635 -5.923 -4.216 1.00 0.00 O ATOM 0 H SER A 83 -12.679 -7.226 -4.186 1.00 0.00 H new ATOM 0 HA SER A 83 -13.565 -4.373 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.375 -6.591 -2.719 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.914 -4.932 -2.550 1.00 0.00 H new ATOM 0 HG SER A 83 -16.437 -6.233 -3.745 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.041 -3.408 -2.988 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.029 -2.863 -2.020 1.00 0.00 C ATOM 1279 C ALA A 84 -11.720 -2.292 -0.761 1.00 0.00 C ATOM 1280 O ALA A 84 -11.156 -2.329 0.317 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.284 -1.753 -2.777 1.00 0.00 C ATOM 0 H ALA A 84 -12.484 -2.714 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.350 -3.643 -1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.529 -1.312 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.801 -2.175 -3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.992 -0.984 -3.084 1.00 0.00 H new ATOM 1287 N GLU A 85 -12.926 -1.761 -0.877 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.615 -1.193 0.342 1.00 0.00 C ATOM 1289 C GLU A 85 -13.732 -2.259 1.444 1.00 0.00 C ATOM 1290 O GLU A 85 -13.583 -1.959 2.613 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.015 -0.746 -0.107 1.00 0.00 C ATOM 1292 CG GLU A 85 -14.931 0.648 -0.733 1.00 0.00 C ATOM 1293 CD GLU A 85 -16.290 1.026 -1.324 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -16.528 0.689 -2.473 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -17.070 1.645 -0.619 1.00 0.00 O ATOM 0 H GLU A 85 -13.455 -1.697 -1.747 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.046 -0.359 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.421 -1.456 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.695 -0.733 0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.634 1.379 0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.168 0.663 -1.511 1.00 0.00 H new ATOM 1302 N ASN A 86 -13.996 -3.498 1.085 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.117 -4.573 2.141 1.00 0.00 C ATOM 1304 C ASN A 86 -12.830 -4.642 2.978 1.00 0.00 C ATOM 1305 O ASN A 86 -12.882 -4.843 4.177 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.337 -5.902 1.399 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.834 -6.094 1.126 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.662 -5.616 1.875 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.224 -6.779 0.077 1.00 0.00 N ATOM 0 H ASN A 86 -14.132 -3.812 0.124 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.943 -4.362 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.782 -5.903 0.461 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.956 -6.731 1.995 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.219 -6.908 -0.107 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.532 -7.182 -0.555 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.676 -4.469 2.364 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.399 -4.520 3.162 1.00 0.00 C ATOM 1318 C ILE A 87 -10.386 -3.377 4.198 1.00 0.00 C ATOM 1319 O ILE A 87 -9.907 -3.553 5.302 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.241 -4.358 2.159 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.270 -5.518 1.156 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.904 -4.371 2.904 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.844 -5.013 -0.225 1.00 0.00 C ATOM 0 H ILE A 87 -11.563 -4.298 1.365 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.306 -5.460 3.706 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.353 -3.410 1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.602 -6.314 1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.272 -5.944 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.088 -4.256 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.878 -3.549 3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.792 -5.317 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.865 -5.838 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.530 -4.232 -0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.833 -4.608 -0.169 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.907 -2.211 3.858 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.910 -1.078 4.856 1.00 0.00 C ATOM 1337 C VAL A 88 -11.683 -1.487 6.120 1.00 0.00 C ATOM 1338 O VAL A 88 -11.294 -1.142 7.221 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.590 0.125 4.175 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.633 1.314 5.142 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.792 0.522 2.934 1.00 0.00 C ATOM 0 H VAL A 88 -11.322 -1.997 2.951 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.894 -0.824 5.159 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.606 -0.151 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.115 2.162 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.197 1.038 6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.617 1.588 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.271 1.373 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.778 0.794 3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.757 -0.318 2.240 1.00 0.00 H new ATOM 1351 N SER A 89 -12.770 -2.223 5.983 1.00 0.00 N ATOM 1352 CA SER A 89 -13.546 -2.644 7.208 1.00 0.00 C ATOM 1353 C SER A 89 -12.615 -3.396 8.171 1.00 0.00 C ATOM 1354 O SER A 89 -12.642 -3.172 9.367 1.00 0.00 O ATOM 1355 CB SER A 89 -14.674 -3.570 6.729 1.00 0.00 C ATOM 1356 OG SER A 89 -15.387 -4.063 7.856 1.00 0.00 O ATOM 0 H SER A 89 -13.149 -2.546 5.093 1.00 0.00 H new ATOM 0 HA SER A 89 -13.955 -1.781 7.734 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.348 -3.028 6.066 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.261 -4.399 6.155 1.00 0.00 H new ATOM 0 HG SER A 89 -16.109 -4.653 7.554 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.771 -4.268 7.656 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.820 -5.002 8.564 1.00 0.00 C ATOM 1364 C LYS A 90 -9.759 -4.028 9.097 1.00 0.00 C ATOM 1365 O LYS A 90 -9.330 -4.143 10.230 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.161 -6.106 7.722 1.00 0.00 C ATOM 1367 CG LYS A 90 -9.525 -7.145 8.649 1.00 0.00 C ATOM 1368 CD LYS A 90 -9.568 -8.520 7.981 1.00 0.00 C ATOM 1369 CE LYS A 90 -8.577 -9.456 8.677 1.00 0.00 C ATOM 1370 NZ LYS A 90 -9.109 -9.621 10.059 1.00 0.00 N ATOM 0 H LYS A 90 -11.699 -4.500 6.665 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.340 -5.432 9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.904 -6.581 7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.404 -5.675 7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.494 -6.868 8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.058 -7.174 9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.575 -8.932 8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.319 -8.430 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.511 -10.415 8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.573 -9.031 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.694 -10.471 10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.861 -8.787 10.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.144 -9.721 10.023 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.339 -3.058 8.304 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.315 -2.081 8.811 1.00 0.00 C ATOM 1386 C ILE A 91 -8.957 -1.163 9.861 1.00 0.00 C ATOM 1387 O ILE A 91 -8.335 -0.828 10.851 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.828 -1.264 7.595 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.198 -2.197 6.548 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.787 -0.237 8.046 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.057 -3.006 7.177 1.00 0.00 C ATOM 0 H ILE A 91 -9.656 -2.905 7.347 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.476 -2.592 9.283 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.682 -0.751 7.152 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.955 -2.872 6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.820 -1.612 5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.446 0.338 7.185 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.233 0.436 8.778 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.939 -0.752 8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.619 -3.663 6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.293 -2.326 7.554 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.447 -3.605 8.000 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.196 -0.758 9.663 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.851 0.136 10.682 1.00 0.00 C ATOM 1405 C ARG A 92 -10.941 -0.587 12.032 1.00 0.00 C ATOM 1406 O ARG A 92 -10.744 0.016 13.072 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.257 0.465 10.156 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.160 1.553 9.084 1.00 0.00 C ATOM 1409 CD ARG A 92 -13.525 2.224 8.912 1.00 0.00 C ATOM 1410 NE ARG A 92 -13.558 3.299 9.942 1.00 0.00 N ATOM 1411 CZ ARG A 92 -13.434 4.548 9.585 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -12.486 4.901 8.761 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -14.259 5.444 10.054 1.00 0.00 N ATOM 0 H ARG A 92 -10.772 -1.002 8.857 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.274 1.048 10.831 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.720 -0.430 9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.893 0.802 10.974 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.412 2.293 9.369 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.835 1.119 8.139 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.639 2.635 7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.337 1.511 9.059 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.677 3.059 10.926 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.841 4.200 8.395 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.390 5.878 8.482 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.999 5.168 10.699 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.163 6.421 9.776 1.00 0.00 H new ATOM 1427 N MET A 93 -11.221 -1.877 12.035 1.00 0.00 N ATOM 1428 CA MET A 93 -11.296 -2.611 13.346 1.00 0.00 C ATOM 1429 C MET A 93 -9.878 -2.829 13.889 1.00 0.00 C ATOM 1430 O MET A 93 -9.640 -2.690 15.075 1.00 0.00 O ATOM 1431 CB MET A 93 -11.982 -3.957 13.067 1.00 0.00 C ATOM 1432 CG MET A 93 -13.451 -3.718 12.716 1.00 0.00 C ATOM 1433 SD MET A 93 -14.322 -5.304 12.650 1.00 0.00 S ATOM 1434 CE MET A 93 -13.688 -5.843 11.044 1.00 0.00 C ATOM 0 H MET A 93 -11.397 -2.442 11.204 1.00 0.00 H new ATOM 0 HA MET A 93 -11.858 -2.046 14.090 1.00 0.00 H new ATOM 0 HB2 MET A 93 -11.480 -4.470 12.247 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.907 -4.604 13.941 1.00 0.00 H new ATOM 0 HG2 MET A 93 -13.913 -3.068 13.460 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.528 -3.208 11.756 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.246 -6.717 10.707 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.803 -5.038 10.318 1.00 0.00 H new ATOM 0 HE3 MET A 93 -12.633 -6.099 11.137 1.00 0.00 H new ATOM 1444 N MET A 94 -8.929 -3.147 13.034 1.00 0.00 N ATOM 1445 CA MET A 94 -7.522 -3.345 13.527 1.00 0.00 C ATOM 1446 C MET A 94 -6.908 -1.990 13.907 1.00 0.00 C ATOM 1447 O MET A 94 -6.152 -1.900 14.857 1.00 0.00 O ATOM 1448 CB MET A 94 -6.730 -3.988 12.377 1.00 0.00 C ATOM 1449 CG MET A 94 -5.573 -4.808 12.949 1.00 0.00 C ATOM 1450 SD MET A 94 -4.929 -5.917 11.672 1.00 0.00 S ATOM 1451 CE MET A 94 -3.224 -5.989 12.272 1.00 0.00 C ATOM 0 H MET A 94 -9.064 -3.276 12.031 1.00 0.00 H new ATOM 0 HA MET A 94 -7.500 -3.981 14.412 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.384 -4.627 11.784 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.347 -3.216 11.709 1.00 0.00 H new ATOM 0 HG2 MET A 94 -4.783 -4.145 13.302 1.00 0.00 H new ATOM 0 HG3 MET A 94 -5.913 -5.385 13.809 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.635 -6.633 11.619 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.796 -4.986 12.274 1.00 0.00 H new ATOM 0 HE3 MET A 94 -3.211 -6.391 13.285 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.233 -0.929 13.191 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.656 0.414 13.555 1.00 0.00 C ATOM 1463 C ASN A 95 -7.290 0.914 14.862 1.00 0.00 C ATOM 1464 O ASN A 95 -6.621 1.521 15.678 1.00 0.00 O ATOM 1465 CB ASN A 95 -6.979 1.374 12.399 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.852 1.323 11.359 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.623 0.216 10.694 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.168 2.304 11.145 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.860 -0.934 12.386 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.579 0.351 13.708 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.927 1.098 11.937 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.093 2.390 12.777 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.341 3.168 11.659 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.421 2.263 10.452 1.00 0.00 H new