USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 769 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 72 HIS : no HD1:sc= 0.622 K(o=-1.6,f=-7.4!) USER MOD Set 1.2: A 112 MET CE :methyl -149:sc= -2.23 (180deg=-2.26) USER MOD Single : A 3 SER OG : rot 180:sc= -0.233 USER MOD Single : A 7 MET CE :methyl 149:sc= -0.086 (180deg=-0.621) USER MOD Single : A 11 THR OG1 : rot 76:sc= 0.916 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 163:sc= -0.0342 (180deg=-0.677) USER MOD Single : A 17 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 19 GLN : amide:sc= -1.1 K(o=-1.1,f=-5!) USER MOD Single : A 20 MET CE :methyl -116:sc= -0.494 (180deg=-1.08) USER MOD Single : A 26 GLN : amide:sc= -0.235 K(o=-0.24,f=-2.6!) USER MOD Single : A 27 GLN : amide:sc= -0.403! C(o=-0.4!,f=-11!) USER MOD Single : A 31 SER OG : rot -89:sc= 1.22 USER MOD Single : A 32 ASN : amide:sc= -4.01! K(o=-4!,f=-0.54) USER MOD Single : A 57 SER OG : rot 180:sc= -0.353 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 68 CYS SG : rot 67:sc= -0.254 USER MOD Single : A 70 LYS NZ :NH3+ -145:sc= 1.04 (180deg=0.502) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -168:sc= -2.34! USER MOD Single : A 85 GLN : amide:sc= 0.598 K(o=0.6,f=-0.065) USER MOD Single : A 90 GLN : amide:sc= -2.85! K(o=-2.8!,f=-0.24) USER MOD Single : A 95 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.21) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.977 K(o=-0.98,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.23) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.34) USER MOD Single : A 119 HIS : no HD1:sc= 0.426 K(o=0.43,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 3 -21.777 4.203 -3.644 1.00 0.00 N ATOM 38 CA SER A 3 -21.810 3.981 -2.221 1.00 0.00 C ATOM 39 C SER A 3 -20.427 4.220 -1.633 1.00 0.00 C ATOM 40 O SER A 3 -19.412 3.953 -2.296 1.00 0.00 O ATOM 41 CB SER A 3 -22.268 2.541 -1.932 1.00 0.00 C ATOM 42 OG SER A 3 -22.370 2.291 -0.538 1.00 0.00 O ATOM 0 HA SER A 3 -22.514 4.675 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.234 2.365 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.563 1.839 -2.377 1.00 0.00 H new ATOM 0 HG SER A 3 -22.665 1.368 -0.392 1.00 0.00 H new ATOM 48 N PRO A 4 -20.357 4.738 -0.390 1.00 0.00 N ATOM 49 CA PRO A 4 -19.088 4.973 0.297 1.00 0.00 C ATOM 50 C PRO A 4 -18.198 3.736 0.286 1.00 0.00 C ATOM 51 O PRO A 4 -16.978 3.849 0.306 1.00 0.00 O ATOM 52 CB PRO A 4 -19.512 5.309 1.727 1.00 0.00 C ATOM 53 CG PRO A 4 -20.879 5.877 1.587 1.00 0.00 C ATOM 54 CD PRO A 4 -21.514 5.157 0.432 1.00 0.00 C ATOM 0 HA PRO A 4 -18.502 5.758 -0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.514 4.421 2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -18.830 6.025 2.185 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.456 5.733 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -20.838 6.950 1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.101 4.301 0.766 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.188 5.808 -0.125 1.00 0.00 H new ATOM 62 N ALA A 5 -18.827 2.558 0.244 1.00 0.00 N ATOM 63 CA ALA A 5 -18.111 1.287 0.210 1.00 0.00 C ATOM 64 C ALA A 5 -17.137 1.228 -0.964 1.00 0.00 C ATOM 65 O ALA A 5 -16.015 0.750 -0.823 1.00 0.00 O ATOM 66 CB ALA A 5 -19.097 0.130 0.140 1.00 0.00 C ATOM 0 H ALA A 5 -19.842 2.462 0.233 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.530 1.203 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.551 -0.813 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.745 0.151 1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.703 0.222 -0.762 1.00 0.00 H new ATOM 72 N GLU A 6 -17.559 1.722 -2.113 1.00 0.00 N ATOM 73 CA GLU A 6 -16.690 1.719 -3.272 1.00 0.00 C ATOM 74 C GLU A 6 -15.662 2.832 -3.150 1.00 0.00 C ATOM 75 O GLU A 6 -14.480 2.648 -3.455 1.00 0.00 O ATOM 76 CB GLU A 6 -17.485 1.857 -4.566 1.00 0.00 C ATOM 77 CG GLU A 6 -16.664 1.559 -5.809 1.00 0.00 C ATOM 78 CD GLU A 6 -17.456 1.706 -7.080 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.313 0.835 -7.357 1.00 0.00 O ATOM 80 OE2 GLU A 6 -17.223 2.689 -7.820 1.00 0.00 O ATOM 0 H GLU A 6 -18.484 2.124 -2.267 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.173 0.760 -3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.340 1.182 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.881 2.870 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.806 2.230 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.273 0.544 -5.746 1.00 0.00 H new ATOM 87 N MET A 7 -16.131 3.983 -2.706 1.00 0.00 N ATOM 88 CA MET A 7 -15.278 5.150 -2.475 1.00 0.00 C ATOM 89 C MET A 7 -14.078 4.797 -1.581 1.00 0.00 C ATOM 90 O MET A 7 -12.925 5.094 -1.922 1.00 0.00 O ATOM 91 CB MET A 7 -16.091 6.279 -1.838 1.00 0.00 C ATOM 92 CG MET A 7 -15.313 7.570 -1.646 1.00 0.00 C ATOM 93 SD MET A 7 -16.268 8.843 -0.790 1.00 0.00 S ATOM 94 CE MET A 7 -16.447 8.100 0.833 1.00 0.00 C ATOM 0 H MET A 7 -17.116 4.143 -2.493 1.00 0.00 H new ATOM 0 HA MET A 7 -14.895 5.482 -3.440 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.962 6.481 -2.461 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.462 5.943 -0.870 1.00 0.00 H new ATOM 0 HG2 MET A 7 -14.405 7.361 -1.080 1.00 0.00 H new ATOM 0 HG3 MET A 7 -15.001 7.949 -2.619 1.00 0.00 H new ATOM 0 HE1 MET A 7 -16.491 8.884 1.589 1.00 0.00 H new ATOM 0 HE2 MET A 7 -17.365 7.513 0.865 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.594 7.451 1.032 1.00 0.00 H new ATOM 104 N VAL A 8 -14.351 4.164 -0.440 1.00 0.00 N ATOM 105 CA VAL A 8 -13.291 3.757 0.476 1.00 0.00 C ATOM 106 C VAL A 8 -12.380 2.714 -0.178 1.00 0.00 C ATOM 107 O VAL A 8 -11.157 2.793 -0.065 1.00 0.00 O ATOM 108 CB VAL A 8 -13.854 3.232 1.845 1.00 0.00 C ATOM 109 CG1 VAL A 8 -14.837 2.099 1.649 1.00 0.00 C ATOM 110 CG2 VAL A 8 -12.732 2.790 2.765 1.00 0.00 C ATOM 0 H VAL A 8 -15.293 3.924 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.700 4.645 0.697 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.382 4.064 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.204 1.764 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.675 2.445 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.341 1.271 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.152 2.432 3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.167 1.988 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.069 3.633 2.962 1.00 0.00 H new ATOM 120 N LEU A 9 -12.980 1.773 -0.900 1.00 0.00 N ATOM 121 CA LEU A 9 -12.231 0.735 -1.594 1.00 0.00 C ATOM 122 C LEU A 9 -11.215 1.329 -2.543 1.00 0.00 C ATOM 123 O LEU A 9 -10.048 0.946 -2.521 1.00 0.00 O ATOM 124 CB LEU A 9 -13.174 -0.189 -2.349 1.00 0.00 C ATOM 125 CG LEU A 9 -13.608 -1.427 -1.589 1.00 0.00 C ATOM 126 CD1 LEU A 9 -14.833 -2.037 -2.231 1.00 0.00 C ATOM 127 CD2 LEU A 9 -12.470 -2.436 -1.550 1.00 0.00 C ATOM 0 H LEU A 9 -13.991 1.709 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.694 0.157 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.063 0.376 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.689 -0.501 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.862 -1.143 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.132 -2.925 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.647 -1.312 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.604 -2.314 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.789 -3.323 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.197 -2.716 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.608 -1.993 -1.052 1.00 0.00 H new ATOM 139 N GLU A 10 -11.658 2.267 -3.374 1.00 0.00 N ATOM 140 CA GLU A 10 -10.799 2.940 -4.312 1.00 0.00 C ATOM 141 C GLU A 10 -9.629 3.552 -3.584 1.00 0.00 C ATOM 142 O GLU A 10 -8.501 3.381 -3.981 1.00 0.00 O ATOM 143 CB GLU A 10 -11.586 4.041 -5.027 1.00 0.00 C ATOM 144 CG GLU A 10 -10.893 4.611 -6.249 1.00 0.00 C ATOM 145 CD GLU A 10 -10.946 3.669 -7.429 1.00 0.00 C ATOM 146 OE1 GLU A 10 -10.014 2.861 -7.597 1.00 0.00 O ATOM 147 OE2 GLU A 10 -11.922 3.735 -8.196 1.00 0.00 O ATOM 0 H GLU A 10 -12.630 2.575 -3.407 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.432 2.220 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.555 3.642 -5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.778 4.850 -4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.361 5.557 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.853 4.828 -6.006 1.00 0.00 H new ATOM 154 N THR A 11 -9.923 4.235 -2.491 1.00 0.00 N ATOM 155 CA THR A 11 -8.907 4.902 -1.699 1.00 0.00 C ATOM 156 C THR A 11 -7.856 3.905 -1.175 1.00 0.00 C ATOM 157 O THR A 11 -6.653 4.164 -1.245 1.00 0.00 O ATOM 158 CB THR A 11 -9.540 5.668 -0.518 1.00 0.00 C ATOM 159 OG1 THR A 11 -10.687 6.411 -0.982 1.00 0.00 O ATOM 160 CG2 THR A 11 -8.534 6.635 0.087 1.00 0.00 C ATOM 0 H THR A 11 -10.871 4.342 -2.129 1.00 0.00 H new ATOM 0 HA THR A 11 -8.406 5.616 -2.353 1.00 0.00 H new ATOM 0 HB THR A 11 -9.845 4.947 0.241 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.437 5.797 -1.128 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.996 7.167 0.919 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.668 6.080 0.448 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.217 7.351 -0.671 1.00 0.00 H new ATOM 168 N LEU A 12 -8.314 2.756 -0.700 1.00 0.00 N ATOM 169 CA LEU A 12 -7.413 1.736 -0.163 1.00 0.00 C ATOM 170 C LEU A 12 -6.641 1.054 -1.274 1.00 0.00 C ATOM 171 O LEU A 12 -5.434 0.862 -1.175 1.00 0.00 O ATOM 172 CB LEU A 12 -8.180 0.684 0.651 1.00 0.00 C ATOM 173 CG LEU A 12 -8.400 1.000 2.135 1.00 0.00 C ATOM 174 CD1 LEU A 12 -9.324 2.182 2.312 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.947 -0.213 2.860 1.00 0.00 C ATOM 0 H LEU A 12 -9.302 2.503 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.711 2.244 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.154 0.535 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.644 -0.262 0.579 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.435 1.261 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.460 2.381 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.890 3.059 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.290 1.960 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.097 0.029 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.899 -0.504 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.239 -1.038 2.775 1.00 0.00 H new ATOM 187 N MET A 13 -7.336 0.730 -2.349 1.00 0.00 N ATOM 188 CA MET A 13 -6.736 0.037 -3.480 1.00 0.00 C ATOM 189 C MET A 13 -5.863 0.979 -4.288 1.00 0.00 C ATOM 190 O MET A 13 -5.044 0.553 -5.079 1.00 0.00 O ATOM 191 CB MET A 13 -7.815 -0.593 -4.369 1.00 0.00 C ATOM 192 CG MET A 13 -8.617 -1.678 -3.670 1.00 0.00 C ATOM 193 SD MET A 13 -7.608 -3.103 -3.220 1.00 0.00 S ATOM 194 CE MET A 13 -8.189 -3.420 -1.557 1.00 0.00 C ATOM 0 H MET A 13 -8.328 0.938 -2.465 1.00 0.00 H new ATOM 0 HA MET A 13 -6.106 -0.762 -3.089 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.495 0.188 -4.711 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.343 -1.015 -5.256 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.076 -1.264 -2.772 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.428 -2.003 -4.322 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.657 -4.276 -1.143 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.007 -2.544 -0.935 1.00 0.00 H new ATOM 0 HE3 MET A 13 -9.258 -3.633 -1.579 1.00 0.00 H new ATOM 204 N MET A 14 -6.028 2.259 -4.052 1.00 0.00 N ATOM 205 CA MET A 14 -5.273 3.275 -4.776 1.00 0.00 C ATOM 206 C MET A 14 -3.960 3.516 -4.068 1.00 0.00 C ATOM 207 O MET A 14 -2.916 3.678 -4.704 1.00 0.00 O ATOM 208 CB MET A 14 -6.082 4.571 -4.893 1.00 0.00 C ATOM 209 CG MET A 14 -5.385 5.699 -5.633 1.00 0.00 C ATOM 210 SD MET A 14 -6.541 6.988 -6.157 1.00 0.00 S ATOM 211 CE MET A 14 -7.473 7.259 -4.644 1.00 0.00 C ATOM 0 H MET A 14 -6.680 2.631 -3.362 1.00 0.00 H new ATOM 0 HA MET A 14 -5.072 2.924 -5.788 1.00 0.00 H new ATOM 0 HB2 MET A 14 -7.022 4.350 -5.400 1.00 0.00 H new ATOM 0 HB3 MET A 14 -6.334 4.916 -3.890 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.622 6.137 -4.989 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.872 5.296 -6.506 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.004 8.209 -4.709 1.00 0.00 H new ATOM 0 HE2 MET A 14 -8.192 6.451 -4.510 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.790 7.282 -3.795 1.00 0.00 H new ATOM 221 N GLU A 15 -4.010 3.504 -2.740 1.00 0.00 N ATOM 222 CA GLU A 15 -2.823 3.663 -1.943 1.00 0.00 C ATOM 223 C GLU A 15 -2.014 2.395 -2.039 1.00 0.00 C ATOM 224 O GLU A 15 -0.823 2.430 -2.295 1.00 0.00 O ATOM 225 CB GLU A 15 -3.195 3.963 -0.477 1.00 0.00 C ATOM 226 CG GLU A 15 -2.001 4.116 0.473 1.00 0.00 C ATOM 227 CD GLU A 15 -1.161 5.356 0.200 1.00 0.00 C ATOM 228 OE1 GLU A 15 -0.179 5.591 0.939 1.00 0.00 O ATOM 229 OE2 GLU A 15 -1.477 6.102 -0.744 1.00 0.00 O ATOM 0 H GLU A 15 -4.868 3.385 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.235 4.503 -2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.784 4.879 -0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.834 3.161 -0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.366 4.153 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.367 3.233 0.392 1.00 0.00 H new ATOM 236 N LEU A 16 -2.692 1.267 -1.882 1.00 0.00 N ATOM 237 CA LEU A 16 -2.050 -0.026 -1.952 1.00 0.00 C ATOM 238 C LEU A 16 -1.348 -0.204 -3.285 1.00 0.00 C ATOM 239 O LEU A 16 -0.220 -0.670 -3.336 1.00 0.00 O ATOM 240 CB LEU A 16 -3.077 -1.147 -1.726 1.00 0.00 C ATOM 241 CG LEU A 16 -2.519 -2.478 -1.161 1.00 0.00 C ATOM 242 CD1 LEU A 16 -1.774 -3.280 -2.214 1.00 0.00 C ATOM 243 CD2 LEU A 16 -1.603 -2.205 0.008 1.00 0.00 C ATOM 0 H LEU A 16 -3.696 1.228 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.300 -0.081 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.843 -0.779 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.570 -1.357 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.373 -3.071 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.401 -4.204 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.450 -3.518 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.936 -2.695 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.218 -3.148 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.772 -1.580 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.158 -1.690 0.792 1.00 0.00 H new ATOM 255 N THR A 17 -2.006 0.195 -4.355 1.00 0.00 N ATOM 256 CA THR A 17 -1.421 0.065 -5.686 1.00 0.00 C ATOM 257 C THR A 17 -0.213 0.987 -5.849 1.00 0.00 C ATOM 258 O THR A 17 0.867 0.544 -6.245 1.00 0.00 O ATOM 259 CB THR A 17 -2.449 0.345 -6.807 1.00 0.00 C ATOM 260 OG1 THR A 17 -3.502 -0.627 -6.754 1.00 0.00 O ATOM 261 CG2 THR A 17 -1.793 0.298 -8.181 1.00 0.00 C ATOM 0 H THR A 17 -2.938 0.609 -4.336 1.00 0.00 H new ATOM 0 HA THR A 17 -1.095 -0.971 -5.781 1.00 0.00 H new ATOM 0 HB THR A 17 -2.855 1.344 -6.650 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.134 -0.387 -6.044 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.541 0.499 -8.948 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.007 1.051 -8.235 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.361 -0.689 -8.344 1.00 0.00 H new ATOM 269 N GLY A 18 -0.399 2.261 -5.527 1.00 0.00 N ATOM 270 CA GLY A 18 0.664 3.221 -5.640 1.00 0.00 C ATOM 271 C GLY A 18 1.847 2.863 -4.796 1.00 0.00 C ATOM 272 O GLY A 18 2.982 3.080 -5.196 1.00 0.00 O ATOM 0 H GLY A 18 -1.281 2.643 -5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.974 3.295 -6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.295 4.204 -5.346 1.00 0.00 H new ATOM 276 N GLN A 19 1.586 2.293 -3.635 1.00 0.00 N ATOM 277 CA GLN A 19 2.640 1.900 -2.738 1.00 0.00 C ATOM 278 C GLN A 19 3.261 0.592 -3.192 1.00 0.00 C ATOM 279 O GLN A 19 4.437 0.361 -2.985 1.00 0.00 O ATOM 280 CB GLN A 19 2.129 1.788 -1.299 1.00 0.00 C ATOM 281 CG GLN A 19 1.615 3.104 -0.718 1.00 0.00 C ATOM 282 CD GLN A 19 2.714 4.106 -0.401 1.00 0.00 C ATOM 283 OE1 GLN A 19 3.777 4.119 -1.028 1.00 0.00 O ATOM 284 NE2 GLN A 19 2.452 4.969 0.556 1.00 0.00 N ATOM 0 H GLN A 19 0.645 2.094 -3.295 1.00 0.00 H new ATOM 0 HA GLN A 19 3.408 2.673 -2.758 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.327 1.050 -1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.934 1.413 -0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.918 3.555 -1.425 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.054 2.894 0.193 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.562 4.926 1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.139 5.681 0.803 1.00 0.00 H new ATOM 293 N MET A 20 2.459 -0.262 -3.819 1.00 0.00 N ATOM 294 CA MET A 20 2.959 -1.526 -4.352 1.00 0.00 C ATOM 295 C MET A 20 3.910 -1.254 -5.495 1.00 0.00 C ATOM 296 O MET A 20 4.950 -1.905 -5.635 1.00 0.00 O ATOM 297 CB MET A 20 1.806 -2.439 -4.806 1.00 0.00 C ATOM 298 CG MET A 20 2.266 -3.739 -5.463 1.00 0.00 C ATOM 299 SD MET A 20 0.941 -4.956 -5.638 1.00 0.00 S ATOM 300 CE MET A 20 0.610 -5.350 -3.918 1.00 0.00 C ATOM 0 H MET A 20 1.463 -0.104 -3.971 1.00 0.00 H new ATOM 0 HA MET A 20 3.493 -2.049 -3.559 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.185 -2.680 -3.943 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.177 -1.891 -5.508 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.677 -3.515 -6.447 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.073 -4.172 -4.871 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.850 -6.397 -3.732 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.223 -4.718 -3.275 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.444 -5.175 -3.701 1.00 0.00 H new ATOM 310 N ARG A 21 3.552 -0.282 -6.301 1.00 0.00 N ATOM 311 CA ARG A 21 4.394 0.152 -7.398 1.00 0.00 C ATOM 312 C ARG A 21 5.598 0.903 -6.850 1.00 0.00 C ATOM 313 O ARG A 21 6.732 0.611 -7.208 1.00 0.00 O ATOM 314 CB ARG A 21 3.607 1.039 -8.365 1.00 0.00 C ATOM 315 CG ARG A 21 2.456 0.328 -9.063 1.00 0.00 C ATOM 316 CD ARG A 21 2.956 -0.777 -9.977 1.00 0.00 C ATOM 317 NE ARG A 21 1.857 -1.498 -10.617 1.00 0.00 N ATOM 318 CZ ARG A 21 2.003 -2.322 -11.658 1.00 0.00 C ATOM 319 NH1 ARG A 21 3.205 -2.540 -12.180 1.00 0.00 N ATOM 320 NH2 ARG A 21 0.943 -2.929 -12.171 1.00 0.00 N ATOM 0 H ARG A 21 2.674 0.230 -6.218 1.00 0.00 H new ATOM 0 HA ARG A 21 4.738 -0.724 -7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.213 1.895 -7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.289 1.430 -9.120 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.781 -0.093 -8.317 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.880 1.049 -9.643 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.603 -0.349 -10.743 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.562 -1.477 -9.402 1.00 0.00 H new ATOM 0 HE ARG A 21 0.917 -1.363 -10.244 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.024 -2.077 -11.786 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.309 -3.171 -12.975 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.019 -2.766 -11.771 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.051 -3.559 -12.966 1.00 0.00 H new ATOM 334 N GLU A 22 5.330 1.889 -5.989 1.00 0.00 N ATOM 335 CA GLU A 22 6.384 2.661 -5.322 1.00 0.00 C ATOM 336 C GLU A 22 7.409 1.739 -4.682 1.00 0.00 C ATOM 337 O GLU A 22 8.612 1.902 -4.875 1.00 0.00 O ATOM 338 CB GLU A 22 5.786 3.581 -4.253 1.00 0.00 C ATOM 339 CG GLU A 22 6.810 4.437 -3.526 1.00 0.00 C ATOM 340 CD GLU A 22 7.451 5.468 -4.424 1.00 0.00 C ATOM 341 OE1 GLU A 22 8.123 5.086 -5.395 1.00 0.00 O ATOM 342 OE2 GLU A 22 7.295 6.674 -4.154 1.00 0.00 O ATOM 0 H GLU A 22 4.384 2.174 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 22 6.880 3.268 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.050 4.234 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.253 2.973 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.327 4.941 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.584 3.794 -3.108 1.00 0.00 H new ATOM 349 N ALA A 23 6.924 0.766 -3.932 1.00 0.00 N ATOM 350 CA ALA A 23 7.805 -0.180 -3.250 1.00 0.00 C ATOM 351 C ALA A 23 8.624 -0.989 -4.247 1.00 0.00 C ATOM 352 O ALA A 23 9.782 -1.320 -3.988 1.00 0.00 O ATOM 353 CB ALA A 23 7.010 -1.102 -2.349 1.00 0.00 C ATOM 0 H ALA A 23 5.929 0.606 -3.777 1.00 0.00 H new ATOM 0 HA ALA A 23 8.495 0.397 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.686 -1.797 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.481 -0.512 -1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.289 -1.661 -2.946 1.00 0.00 H new ATOM 359 N GLU A 24 8.025 -1.293 -5.387 1.00 0.00 N ATOM 360 CA GLU A 24 8.696 -2.053 -6.432 1.00 0.00 C ATOM 361 C GLU A 24 9.779 -1.192 -7.075 1.00 0.00 C ATOM 362 O GLU A 24 10.932 -1.607 -7.209 1.00 0.00 O ATOM 363 CB GLU A 24 7.676 -2.472 -7.492 1.00 0.00 C ATOM 364 CG GLU A 24 8.202 -3.451 -8.527 1.00 0.00 C ATOM 365 CD GLU A 24 8.445 -4.827 -7.954 1.00 0.00 C ATOM 366 OE1 GLU A 24 7.454 -5.544 -7.683 1.00 0.00 O ATOM 367 OE2 GLU A 24 9.617 -5.211 -7.795 1.00 0.00 O ATOM 0 H GLU A 24 7.068 -1.023 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 24 9.153 -2.942 -5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.816 -2.919 -6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.318 -1.579 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.489 -3.524 -9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.132 -3.066 -8.946 1.00 0.00 H new ATOM 374 N ARG A 25 9.392 0.020 -7.444 1.00 0.00 N ATOM 375 CA ARG A 25 10.286 0.978 -8.075 1.00 0.00 C ATOM 376 C ARG A 25 11.455 1.304 -7.156 1.00 0.00 C ATOM 377 O ARG A 25 12.604 1.306 -7.581 1.00 0.00 O ATOM 378 CB ARG A 25 9.496 2.261 -8.428 1.00 0.00 C ATOM 379 CG ARG A 25 10.262 3.313 -9.247 1.00 0.00 C ATOM 380 CD ARG A 25 11.227 4.138 -8.394 1.00 0.00 C ATOM 381 NE ARG A 25 10.541 4.851 -7.314 1.00 0.00 N ATOM 382 CZ ARG A 25 11.016 5.939 -6.705 1.00 0.00 C ATOM 383 NH1 ARG A 25 12.195 6.448 -7.049 1.00 0.00 N ATOM 384 NH2 ARG A 25 10.310 6.512 -5.744 1.00 0.00 N ATOM 0 H ARG A 25 8.442 0.368 -7.313 1.00 0.00 H new ATOM 0 HA ARG A 25 10.690 0.544 -8.990 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.603 1.974 -8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.159 2.724 -7.501 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.820 2.815 -10.040 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.549 3.981 -9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.986 3.481 -7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.747 4.856 -9.028 1.00 0.00 H new ATOM 0 HE ARG A 25 9.638 4.491 -7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.746 6.006 -7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.549 7.280 -6.577 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.408 6.122 -5.472 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.668 7.344 -5.275 1.00 0.00 H new ATOM 398 N GLN A 26 11.153 1.555 -5.897 1.00 0.00 N ATOM 399 CA GLN A 26 12.166 1.944 -4.936 1.00 0.00 C ATOM 400 C GLN A 26 13.135 0.802 -4.665 1.00 0.00 C ATOM 401 O GLN A 26 14.334 1.018 -4.566 1.00 0.00 O ATOM 402 CB GLN A 26 11.526 2.430 -3.636 1.00 0.00 C ATOM 403 CG GLN A 26 12.507 3.091 -2.681 1.00 0.00 C ATOM 404 CD GLN A 26 13.221 4.275 -3.309 1.00 0.00 C ATOM 405 OE1 GLN A 26 14.283 4.127 -3.910 1.00 0.00 O ATOM 406 NE2 GLN A 26 12.648 5.451 -3.168 1.00 0.00 N ATOM 0 H GLN A 26 10.209 1.496 -5.515 1.00 0.00 H new ATOM 0 HA GLN A 26 12.733 2.769 -5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.732 3.138 -3.875 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.058 1.584 -3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.974 3.423 -1.790 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.244 2.357 -2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.766 5.531 -2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.086 6.282 -3.565 1.00 0.00 H new ATOM 415 N GLN A 27 12.618 -0.414 -4.561 1.00 0.00 N ATOM 416 CA GLN A 27 13.471 -1.573 -4.323 1.00 0.00 C ATOM 417 C GLN A 27 14.446 -1.749 -5.484 1.00 0.00 C ATOM 418 O GLN A 27 15.624 -2.072 -5.288 1.00 0.00 O ATOM 419 CB GLN A 27 12.628 -2.842 -4.138 1.00 0.00 C ATOM 420 CG GLN A 27 13.442 -4.088 -3.788 1.00 0.00 C ATOM 421 CD GLN A 27 14.105 -4.009 -2.417 1.00 0.00 C ATOM 422 OE1 GLN A 27 14.441 -2.928 -1.926 1.00 0.00 O ATOM 423 NE2 GLN A 27 14.298 -5.154 -1.792 1.00 0.00 N ATOM 0 H GLN A 27 11.623 -0.624 -4.636 1.00 0.00 H new ATOM 0 HA GLN A 27 14.036 -1.405 -3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.896 -2.667 -3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.070 -3.031 -5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.789 -4.960 -3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.210 -4.237 -4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.007 -6.029 -2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.738 -5.165 -0.872 1.00 0.00 H new ATOM 432 N ARG A 28 13.953 -1.505 -6.684 1.00 0.00 N ATOM 433 CA ARG A 28 14.763 -1.623 -7.887 1.00 0.00 C ATOM 434 C ARG A 28 15.749 -0.467 -7.991 1.00 0.00 C ATOM 435 O ARG A 28 16.897 -0.649 -8.390 1.00 0.00 O ATOM 436 CB ARG A 28 13.866 -1.662 -9.123 1.00 0.00 C ATOM 437 CG ARG A 28 12.986 -2.896 -9.193 1.00 0.00 C ATOM 438 CD ARG A 28 11.921 -2.767 -10.268 1.00 0.00 C ATOM 439 NE ARG A 28 12.492 -2.576 -11.603 1.00 0.00 N ATOM 440 CZ ARG A 28 11.769 -2.513 -12.722 1.00 0.00 C ATOM 441 NH1 ARG A 28 10.448 -2.648 -12.672 1.00 0.00 N ATOM 442 NH2 ARG A 28 12.369 -2.320 -13.886 1.00 0.00 N ATOM 0 H ARG A 28 12.988 -1.222 -6.854 1.00 0.00 H new ATOM 0 HA ARG A 28 15.329 -2.552 -7.829 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.234 -0.774 -9.132 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.489 -1.619 -10.016 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.603 -3.772 -9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.509 -3.058 -8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.298 -3.662 -10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.270 -1.925 -10.031 1.00 0.00 H new ATOM 0 HE ARG A 28 13.505 -2.486 -11.682 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.984 -2.800 -11.776 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.898 -2.599 -13.529 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.383 -2.220 -13.927 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.817 -2.272 -14.742 1.00 0.00 H new ATOM 456 N GLU A 29 15.303 0.715 -7.612 1.00 0.00 N ATOM 457 CA GLU A 29 16.138 1.895 -7.685 1.00 0.00 C ATOM 458 C GLU A 29 17.235 1.864 -6.621 1.00 0.00 C ATOM 459 O GLU A 29 18.361 2.263 -6.876 1.00 0.00 O ATOM 460 CB GLU A 29 15.291 3.159 -7.551 1.00 0.00 C ATOM 461 CG GLU A 29 16.008 4.425 -7.985 1.00 0.00 C ATOM 462 CD GLU A 29 15.101 5.630 -7.989 1.00 0.00 C ATOM 463 OE1 GLU A 29 14.141 5.656 -8.794 1.00 0.00 O ATOM 464 OE2 GLU A 29 15.344 6.564 -7.202 1.00 0.00 O ATOM 0 H GLU A 29 14.364 0.882 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 29 16.622 1.904 -8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.385 3.043 -8.146 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.978 3.267 -6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.849 4.610 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.420 4.281 -8.984 1.00 0.00 H new ATOM 471 N ARG A 30 16.910 1.376 -5.433 1.00 0.00 N ATOM 472 CA ARG A 30 17.901 1.292 -4.363 1.00 0.00 C ATOM 473 C ARG A 30 18.974 0.267 -4.689 1.00 0.00 C ATOM 474 O ARG A 30 20.154 0.490 -4.432 1.00 0.00 O ATOM 475 CB ARG A 30 17.256 0.943 -3.020 1.00 0.00 C ATOM 476 CG ARG A 30 16.319 2.004 -2.484 1.00 0.00 C ATOM 477 CD ARG A 30 15.898 1.700 -1.058 1.00 0.00 C ATOM 478 NE ARG A 30 15.290 0.372 -0.918 1.00 0.00 N ATOM 479 CZ ARG A 30 14.743 -0.093 0.215 1.00 0.00 C ATOM 480 NH1 ARG A 30 14.680 0.680 1.300 1.00 0.00 N ATOM 481 NH2 ARG A 30 14.255 -1.327 0.257 1.00 0.00 N ATOM 0 H ARG A 30 15.981 1.035 -5.184 1.00 0.00 H new ATOM 0 HA ARG A 30 18.360 2.277 -4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.705 0.009 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.043 0.767 -2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.809 2.977 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 30 15.436 2.067 -3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 30 16.768 1.768 -0.404 1.00 0.00 H new ATOM 0 HD3 ARG A 30 15.189 2.457 -0.724 1.00 0.00 H new ATOM 0 HE ARG A 30 15.283 -0.238 -1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 30 15.049 1.630 1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.263 0.321 2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.296 -1.920 -0.572 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.839 -1.682 1.118 1.00 0.00 H new ATOM 495 N SER A 31 18.568 -0.839 -5.290 1.00 0.00 N ATOM 496 CA SER A 31 19.491 -1.917 -5.591 1.00 0.00 C ATOM 497 C SER A 31 20.498 -1.516 -6.669 1.00 0.00 C ATOM 498 O SER A 31 21.680 -1.854 -6.577 1.00 0.00 O ATOM 499 CB SER A 31 18.731 -3.187 -5.982 1.00 0.00 C ATOM 500 OG SER A 31 17.692 -2.899 -6.893 1.00 0.00 O ATOM 0 H SER A 31 17.605 -1.013 -5.578 1.00 0.00 H new ATOM 0 HA SER A 31 20.061 -2.128 -4.686 1.00 0.00 H new ATOM 0 HB2 SER A 31 19.420 -3.904 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 31 18.316 -3.655 -5.089 1.00 0.00 H new ATOM 0 HG SER A 31 16.873 -2.686 -6.399 1.00 0.00 H new ATOM 506 N ASN A 32 20.040 -0.773 -7.673 1.00 0.00 N ATOM 507 CA ASN A 32 20.939 -0.329 -8.738 1.00 0.00 C ATOM 508 C ASN A 32 21.760 0.879 -8.290 1.00 0.00 C ATOM 509 O ASN A 32 22.810 1.177 -8.851 1.00 0.00 O ATOM 510 CB ASN A 32 20.188 -0.062 -10.075 1.00 0.00 C ATOM 511 CG ASN A 32 19.135 1.063 -10.049 1.00 0.00 C ATOM 512 OD1 ASN A 32 18.088 0.948 -10.685 1.00 0.00 O ATOM 513 ND2 ASN A 32 19.420 2.160 -9.382 1.00 0.00 N ATOM 0 H ASN A 32 19.071 -0.470 -7.773 1.00 0.00 H new ATOM 0 HA ASN A 32 21.633 -1.145 -8.939 1.00 0.00 H new ATOM 0 HB2 ASN A 32 20.926 0.177 -10.841 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.696 -0.985 -10.382 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.766 2.942 -9.384 1.00 0.00 H new ATOM 0 HD22 ASN A 32 20.295 2.228 -8.863 1.00 0.00 H new ATOM 862 N LEU A 56 -2.652 -9.513 -5.220 1.00 0.00 N ATOM 863 CA LEU A 56 -4.011 -9.391 -4.765 1.00 0.00 C ATOM 864 C LEU A 56 -4.888 -10.392 -5.491 1.00 0.00 C ATOM 865 O LEU A 56 -5.202 -10.221 -6.673 1.00 0.00 O ATOM 866 CB LEU A 56 -4.529 -7.970 -4.977 1.00 0.00 C ATOM 867 CG LEU A 56 -5.904 -7.674 -4.378 1.00 0.00 C ATOM 868 CD1 LEU A 56 -5.872 -7.833 -2.865 1.00 0.00 C ATOM 869 CD2 LEU A 56 -6.363 -6.276 -4.761 1.00 0.00 C ATOM 0 HA LEU A 56 -4.042 -9.603 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.808 -7.272 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.569 -7.773 -6.048 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.618 -8.391 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.859 -7.618 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.589 -8.855 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.145 -7.140 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.344 -6.083 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.649 -5.543 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.426 -6.198 -5.846 1.00 0.00 H new ATOM 881 N SER A 57 -5.249 -11.442 -4.797 1.00 0.00 N ATOM 882 CA SER A 57 -6.078 -12.475 -5.361 1.00 0.00 C ATOM 883 C SER A 57 -7.537 -12.035 -5.355 1.00 0.00 C ATOM 884 O SER A 57 -7.937 -11.209 -4.530 1.00 0.00 O ATOM 885 CB SER A 57 -5.899 -13.777 -4.572 1.00 0.00 C ATOM 886 OG SER A 57 -6.124 -13.573 -3.191 1.00 0.00 O ATOM 0 H SER A 57 -4.977 -11.604 -3.827 1.00 0.00 H new ATOM 0 HA SER A 57 -5.778 -12.653 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.590 -14.531 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.891 -14.163 -4.726 1.00 0.00 H new ATOM 0 HG SER A 57 -6.005 -14.419 -2.712 1.00 0.00 H new ATOM 892 N PRO A 58 -8.354 -12.570 -6.279 1.00 0.00 N ATOM 893 CA PRO A 58 -9.773 -12.217 -6.380 1.00 0.00 C ATOM 894 C PRO A 58 -10.524 -12.451 -5.075 1.00 0.00 C ATOM 895 O PRO A 58 -11.420 -11.689 -4.714 1.00 0.00 O ATOM 896 CB PRO A 58 -10.306 -13.150 -7.480 1.00 0.00 C ATOM 897 CG PRO A 58 -9.264 -14.209 -7.629 1.00 0.00 C ATOM 898 CD PRO A 58 -7.965 -13.548 -7.303 1.00 0.00 C ATOM 0 HA PRO A 58 -9.909 -11.159 -6.602 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.268 -13.580 -7.201 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.457 -12.611 -8.415 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.457 -15.045 -6.957 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.256 -14.610 -8.643 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.231 -14.260 -6.926 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.524 -13.067 -8.176 1.00 0.00 H new ATOM 906 N ILE A 59 -10.130 -13.486 -4.357 1.00 0.00 N ATOM 907 CA ILE A 59 -10.784 -13.825 -3.108 1.00 0.00 C ATOM 908 C ILE A 59 -10.373 -12.864 -2.007 1.00 0.00 C ATOM 909 O ILE A 59 -11.200 -12.435 -1.206 1.00 0.00 O ATOM 910 CB ILE A 59 -10.519 -15.295 -2.681 1.00 0.00 C ATOM 911 CG1 ILE A 59 -9.016 -15.570 -2.494 1.00 0.00 C ATOM 912 CG2 ILE A 59 -11.108 -16.238 -3.713 1.00 0.00 C ATOM 913 CD1 ILE A 59 -8.704 -16.987 -2.056 1.00 0.00 C ATOM 0 H ILE A 59 -9.362 -14.105 -4.617 1.00 0.00 H new ATOM 0 HA ILE A 59 -11.857 -13.730 -3.275 1.00 0.00 H new ATOM 0 HB ILE A 59 -11.001 -15.464 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.499 -15.367 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.618 -14.875 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.921 -17.269 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.182 -16.071 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -10.644 -16.053 -4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.626 -17.105 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.191 -17.188 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.070 -17.689 -2.805 1.00 0.00 H new ATOM 925 N GLU A 60 -9.091 -12.522 -1.973 1.00 0.00 N ATOM 926 CA GLU A 60 -8.583 -11.570 -1.012 1.00 0.00 C ATOM 927 C GLU A 60 -9.199 -10.206 -1.270 1.00 0.00 C ATOM 928 O GLU A 60 -9.523 -9.470 -0.339 1.00 0.00 O ATOM 929 CB GLU A 60 -7.064 -11.518 -1.099 1.00 0.00 C ATOM 930 CG GLU A 60 -6.393 -10.784 0.034 1.00 0.00 C ATOM 931 CD GLU A 60 -4.940 -11.164 0.157 1.00 0.00 C ATOM 932 OE1 GLU A 60 -4.091 -10.500 -0.452 1.00 0.00 O ATOM 933 OE2 GLU A 60 -4.643 -12.151 0.868 1.00 0.00 O ATOM 0 H GLU A 60 -8.385 -12.897 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.855 -11.879 -0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.680 -12.538 -1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.784 -11.042 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.476 -9.709 -0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.908 -11.006 0.968 1.00 0.00 H new ATOM 940 N ARG A 61 -9.383 -9.893 -2.544 1.00 0.00 N ATOM 941 CA ARG A 61 -10.040 -8.661 -2.952 1.00 0.00 C ATOM 942 C ARG A 61 -11.439 -8.598 -2.349 1.00 0.00 C ATOM 943 O ARG A 61 -11.838 -7.587 -1.772 1.00 0.00 O ATOM 944 CB ARG A 61 -10.098 -8.582 -4.492 1.00 0.00 C ATOM 945 CG ARG A 61 -10.977 -7.466 -5.054 1.00 0.00 C ATOM 946 CD ARG A 61 -10.644 -6.119 -4.436 1.00 0.00 C ATOM 947 NE ARG A 61 -11.297 -5.006 -5.137 1.00 0.00 N ATOM 948 CZ ARG A 61 -12.587 -4.660 -4.997 1.00 0.00 C ATOM 949 NH1 ARG A 61 -13.408 -5.393 -4.251 1.00 0.00 N ATOM 950 NH2 ARG A 61 -13.053 -3.593 -5.627 1.00 0.00 N ATOM 0 H ARG A 61 -9.083 -10.483 -3.320 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.470 -7.807 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.085 -8.450 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.460 -9.536 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.848 -7.412 -6.135 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.025 -7.701 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.951 -6.116 -3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.564 -5.972 -4.452 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.728 -4.454 -5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.060 -6.227 -3.778 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.386 -5.121 -4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.433 -3.037 -6.216 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.032 -3.327 -5.523 1.00 0.00 H new ATOM 964 N LEU A 62 -12.160 -9.687 -2.490 1.00 0.00 N ATOM 965 CA LEU A 62 -13.501 -9.814 -1.933 1.00 0.00 C ATOM 966 C LEU A 62 -13.488 -9.669 -0.415 1.00 0.00 C ATOM 967 O LEU A 62 -14.329 -8.976 0.156 1.00 0.00 O ATOM 968 CB LEU A 62 -14.123 -11.152 -2.319 1.00 0.00 C ATOM 969 CG LEU A 62 -15.537 -11.382 -1.792 1.00 0.00 C ATOM 970 CD1 LEU A 62 -16.528 -10.456 -2.481 1.00 0.00 C ATOM 971 CD2 LEU A 62 -15.945 -12.837 -1.960 1.00 0.00 C ATOM 0 H LEU A 62 -11.839 -10.514 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.105 -9.008 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.140 -11.228 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.480 -11.953 -1.954 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.545 -11.150 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -17.529 -10.638 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.248 -9.419 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.518 -10.646 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.956 -12.978 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.916 -13.103 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -15.256 -13.474 -1.406 1.00 0.00 H new ATOM 983 N GLN A 63 -12.528 -10.323 0.235 1.00 0.00 N ATOM 984 CA GLN A 63 -12.394 -10.237 1.688 1.00 0.00 C ATOM 985 C GLN A 63 -12.238 -8.785 2.113 1.00 0.00 C ATOM 986 O GLN A 63 -12.929 -8.306 3.010 1.00 0.00 O ATOM 987 CB GLN A 63 -11.180 -11.034 2.168 1.00 0.00 C ATOM 988 CG GLN A 63 -11.280 -12.533 1.952 1.00 0.00 C ATOM 989 CD GLN A 63 -10.020 -13.254 2.387 1.00 0.00 C ATOM 990 OE1 GLN A 63 -9.317 -12.804 3.296 1.00 0.00 O ATOM 991 NE2 GLN A 63 -9.730 -14.372 1.759 1.00 0.00 N ATOM 0 H GLN A 63 -11.834 -10.916 -0.219 1.00 0.00 H new ATOM 0 HA GLN A 63 -13.295 -10.656 2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.293 -10.665 1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.034 -10.843 3.231 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.132 -12.924 2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.468 -12.736 0.898 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.337 -14.710 1.013 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.898 -14.901 2.018 1.00 0.00 H new ATOM 1000 N LEU A 64 -11.331 -8.097 1.444 1.00 0.00 N ATOM 1001 CA LEU A 64 -11.053 -6.700 1.722 1.00 0.00 C ATOM 1002 C LEU A 64 -12.258 -5.845 1.415 1.00 0.00 C ATOM 1003 O LEU A 64 -12.512 -4.858 2.096 1.00 0.00 O ATOM 1004 CB LEU A 64 -9.829 -6.209 0.933 1.00 0.00 C ATOM 1005 CG LEU A 64 -8.457 -6.386 1.615 1.00 0.00 C ATOM 1006 CD1 LEU A 64 -8.383 -5.568 2.891 1.00 0.00 C ATOM 1007 CD2 LEU A 64 -8.166 -7.851 1.908 1.00 0.00 C ATOM 0 H LEU A 64 -10.766 -8.491 0.692 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.827 -6.610 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.806 -6.733 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.967 -5.150 0.713 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.696 -6.025 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.407 -5.707 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.526 -4.513 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.163 -5.895 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.192 -7.939 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.935 -8.249 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.163 -8.415 0.975 1.00 0.00 H new ATOM 1019 N GLU A 65 -12.997 -6.229 0.388 1.00 0.00 N ATOM 1020 CA GLU A 65 -14.194 -5.524 0.000 1.00 0.00 C ATOM 1021 C GLU A 65 -15.206 -5.564 1.106 1.00 0.00 C ATOM 1022 O GLU A 65 -15.773 -4.540 1.477 1.00 0.00 O ATOM 1023 CB GLU A 65 -14.759 -6.111 -1.302 1.00 0.00 C ATOM 1024 CG GLU A 65 -16.109 -5.555 -1.727 1.00 0.00 C ATOM 1025 CD GLU A 65 -16.446 -5.903 -3.160 1.00 0.00 C ATOM 1026 OE1 GLU A 65 -16.161 -5.079 -4.057 1.00 0.00 O ATOM 1027 OE2 GLU A 65 -16.976 -7.007 -3.404 1.00 0.00 O ATOM 0 H GLU A 65 -12.780 -7.037 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 65 -13.946 -4.479 -0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.042 -5.934 -2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -14.848 -7.191 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.884 -5.946 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.107 -4.471 -1.609 1.00 0.00 H new ATOM 1034 N ASP A 66 -15.397 -6.737 1.657 1.00 0.00 N ATOM 1035 CA ASP A 66 -16.334 -6.913 2.755 1.00 0.00 C ATOM 1036 C ASP A 66 -15.905 -6.074 3.952 1.00 0.00 C ATOM 1037 O ASP A 66 -16.733 -5.429 4.621 1.00 0.00 O ATOM 1038 CB ASP A 66 -16.449 -8.389 3.141 1.00 0.00 C ATOM 1039 CG ASP A 66 -17.343 -8.615 4.353 1.00 0.00 C ATOM 1040 OD1 ASP A 66 -18.587 -8.643 4.195 1.00 0.00 O ATOM 1041 OD2 ASP A 66 -16.806 -8.781 5.465 1.00 0.00 O ATOM 0 H ASP A 66 -14.918 -7.590 1.367 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.317 -6.574 2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.843 -8.951 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.455 -8.783 3.350 1.00 0.00 H new ATOM 1046 N VAL A 67 -14.604 -6.061 4.193 1.00 0.00 N ATOM 1047 CA VAL A 67 -14.032 -5.279 5.277 1.00 0.00 C ATOM 1048 C VAL A 67 -14.271 -3.786 5.061 1.00 0.00 C ATOM 1049 O VAL A 67 -14.673 -3.081 5.982 1.00 0.00 O ATOM 1050 CB VAL A 67 -12.510 -5.541 5.435 1.00 0.00 C ATOM 1051 CG1 VAL A 67 -11.913 -4.653 6.519 1.00 0.00 C ATOM 1052 CG2 VAL A 67 -12.246 -7.007 5.745 1.00 0.00 C ATOM 0 H VAL A 67 -13.920 -6.587 3.649 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.534 -5.595 6.192 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.028 -5.295 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.846 -4.857 6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.062 -3.606 6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.404 -4.860 7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.173 -7.169 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.748 -7.279 6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.627 -7.625 4.932 1.00 0.00 H new ATOM 1062 N CYS A 68 -14.058 -3.319 3.831 1.00 0.00 N ATOM 1063 CA CYS A 68 -14.232 -1.908 3.507 1.00 0.00 C ATOM 1064 C CYS A 68 -15.687 -1.516 3.625 1.00 0.00 C ATOM 1065 O CYS A 68 -16.008 -0.396 4.010 1.00 0.00 O ATOM 1066 CB CYS A 68 -13.706 -1.607 2.106 1.00 0.00 C ATOM 1067 SG CYS A 68 -11.951 -1.976 1.885 1.00 0.00 S ATOM 0 H CYS A 68 -13.765 -3.899 3.045 1.00 0.00 H new ATOM 0 HA CYS A 68 -13.656 -1.318 4.220 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -14.282 -2.183 1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -13.876 -0.554 1.884 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.764 -3.260 1.965 1.00 0.00 H new ATOM 1073 N VAL A 69 -16.565 -2.449 3.288 1.00 0.00 N ATOM 1074 CA VAL A 69 -17.996 -2.244 3.445 1.00 0.00 C ATOM 1075 C VAL A 69 -18.339 -1.904 4.910 1.00 0.00 C ATOM 1076 O VAL A 69 -19.247 -1.112 5.182 1.00 0.00 O ATOM 1077 CB VAL A 69 -18.797 -3.499 2.990 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -20.252 -3.399 3.400 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -18.693 -3.679 1.483 1.00 0.00 C ATOM 0 H VAL A 69 -16.310 -3.358 2.903 1.00 0.00 H new ATOM 0 HA VAL A 69 -18.281 -1.405 2.811 1.00 0.00 H new ATOM 0 HB VAL A 69 -18.362 -4.368 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -20.786 -4.290 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -20.320 -3.318 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -20.699 -2.517 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.259 -4.561 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.098 -2.800 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -17.647 -3.806 1.203 1.00 0.00 H new ATOM 1089 N LYS A 70 -17.602 -2.499 5.846 1.00 0.00 N ATOM 1090 CA LYS A 70 -17.820 -2.236 7.270 1.00 0.00 C ATOM 1091 C LYS A 70 -16.987 -1.052 7.780 1.00 0.00 C ATOM 1092 O LYS A 70 -17.060 -0.705 8.954 1.00 0.00 O ATOM 1093 CB LYS A 70 -17.508 -3.475 8.112 1.00 0.00 C ATOM 1094 CG LYS A 70 -18.421 -4.651 7.842 1.00 0.00 C ATOM 1095 CD LYS A 70 -18.240 -5.739 8.888 1.00 0.00 C ATOM 1096 CE LYS A 70 -19.208 -6.890 8.665 1.00 0.00 C ATOM 1097 NZ LYS A 70 -20.611 -6.415 8.537 1.00 0.00 N ATOM 0 H LYS A 70 -16.853 -3.162 5.648 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.874 -1.979 7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.478 -3.778 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.576 -3.211 9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -19.458 -4.316 7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -18.213 -5.057 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.216 -6.111 8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.394 -5.319 9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.925 -7.434 7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.136 -7.591 9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.254 -7.112 8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.715 -5.503 9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.847 -6.297 7.531 1.00 0.00 H new ATOM 1111 N ILE A 71 -16.223 -0.425 6.903 1.00 0.00 N ATOM 1112 CA ILE A 71 -15.372 0.681 7.301 1.00 0.00 C ATOM 1113 C ILE A 71 -16.089 2.001 7.121 1.00 0.00 C ATOM 1114 O ILE A 71 -16.778 2.220 6.124 1.00 0.00 O ATOM 1115 CB ILE A 71 -14.023 0.696 6.529 1.00 0.00 C ATOM 1116 CG1 ILE A 71 -13.188 -0.530 6.905 1.00 0.00 C ATOM 1117 CG2 ILE A 71 -13.240 1.982 6.804 1.00 0.00 C ATOM 1118 CD1 ILE A 71 -11.829 -0.571 6.247 1.00 0.00 C ATOM 0 H ILE A 71 -16.175 -0.663 5.912 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.144 0.539 8.357 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.242 0.662 5.462 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.058 -0.550 7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.740 -1.430 6.633 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.302 1.962 6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -13.830 2.842 6.488 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.030 2.059 7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.299 -1.469 6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.949 -0.583 5.164 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.257 0.310 6.538 1.00 0.00 H new ATOM 1130 N HIS A 72 -15.941 2.867 8.100 1.00 0.00 N ATOM 1131 CA HIS A 72 -16.558 4.180 8.077 1.00 0.00 C ATOM 1132 C HIS A 72 -15.904 5.041 7.006 1.00 0.00 C ATOM 1133 O HIS A 72 -14.675 5.047 6.874 1.00 0.00 O ATOM 1134 CB HIS A 72 -16.408 4.861 9.443 1.00 0.00 C ATOM 1135 CG HIS A 72 -16.869 4.028 10.601 1.00 0.00 C ATOM 1136 ND1 HIS A 72 -16.036 3.167 11.277 1.00 0.00 N ATOM 1137 CD2 HIS A 72 -18.077 3.931 11.209 1.00 0.00 C ATOM 1138 CE1 HIS A 72 -16.707 2.578 12.249 1.00 0.00 C ATOM 1139 NE2 HIS A 72 -17.947 3.024 12.233 1.00 0.00 N ATOM 0 H HIS A 72 -15.389 2.682 8.937 1.00 0.00 H new ATOM 0 HA HIS A 72 -17.618 4.063 7.851 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.360 5.122 9.593 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -16.971 5.794 9.435 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -18.975 4.467 10.939 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.307 1.852 12.941 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -18.688 2.742 12.875 1.00 0.00 H new ATOM 1147 N PRO A 73 -16.710 5.793 6.245 1.00 0.00 N ATOM 1148 CA PRO A 73 -16.223 6.621 5.138 1.00 0.00 C ATOM 1149 C PRO A 73 -15.076 7.560 5.531 1.00 0.00 C ATOM 1150 O PRO A 73 -14.052 7.613 4.847 1.00 0.00 O ATOM 1151 CB PRO A 73 -17.460 7.437 4.713 1.00 0.00 C ATOM 1152 CG PRO A 73 -18.466 7.233 5.799 1.00 0.00 C ATOM 1153 CD PRO A 73 -18.166 5.895 6.395 1.00 0.00 C ATOM 0 HA PRO A 73 -15.806 6.000 4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.214 8.493 4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.845 7.095 3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.394 8.019 6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.480 7.264 5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.470 5.840 7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -18.684 5.093 5.870 1.00 0.00 H new ATOM 1161 N SER A 74 -15.232 8.280 6.630 1.00 0.00 N ATOM 1162 CA SER A 74 -14.234 9.255 7.050 1.00 0.00 C ATOM 1163 C SER A 74 -13.026 8.594 7.729 1.00 0.00 C ATOM 1164 O SER A 74 -11.934 9.145 7.727 1.00 0.00 O ATOM 1165 CB SER A 74 -14.881 10.254 7.998 1.00 0.00 C ATOM 1166 OG SER A 74 -16.186 10.600 7.548 1.00 0.00 O ATOM 0 H SER A 74 -16.040 8.209 7.249 1.00 0.00 H new ATOM 0 HA SER A 74 -13.863 9.763 6.160 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.937 9.829 9.000 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.265 11.150 8.066 1.00 0.00 H new ATOM 0 HG SER A 74 -16.587 11.242 8.171 1.00 0.00 H new ATOM 1172 N TYR A 75 -13.232 7.406 8.292 1.00 0.00 N ATOM 1173 CA TYR A 75 -12.170 6.690 9.014 1.00 0.00 C ATOM 1174 C TYR A 75 -11.111 6.198 8.036 1.00 0.00 C ATOM 1175 O TYR A 75 -9.966 5.932 8.415 1.00 0.00 O ATOM 1176 CB TYR A 75 -12.768 5.515 9.797 1.00 0.00 C ATOM 1177 CG TYR A 75 -11.918 5.021 10.958 1.00 0.00 C ATOM 1178 CD1 TYR A 75 -12.306 5.263 12.269 1.00 0.00 C ATOM 1179 CD2 TYR A 75 -10.742 4.310 10.744 1.00 0.00 C ATOM 1180 CE1 TYR A 75 -11.550 4.810 13.332 1.00 0.00 C ATOM 1181 CE2 TYR A 75 -9.979 3.856 11.804 1.00 0.00 C ATOM 1182 CZ TYR A 75 -10.390 4.109 13.095 1.00 0.00 C ATOM 1183 OH TYR A 75 -9.634 3.657 14.156 1.00 0.00 O ATOM 0 H TYR A 75 -14.125 6.913 8.265 1.00 0.00 H new ATOM 0 HA TYR A 75 -11.697 7.373 9.720 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -13.744 5.812 10.181 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -12.935 4.686 9.109 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -13.214 5.815 12.461 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.419 4.109 9.733 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -11.868 5.005 14.346 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -9.067 3.307 11.622 1.00 0.00 H new ATOM 0 HH TYR A 75 -8.848 3.180 13.818 1.00 0.00 H new ATOM 1193 N CYS A 76 -11.506 6.086 6.782 1.00 0.00 N ATOM 1194 CA CYS A 76 -10.614 5.690 5.718 1.00 0.00 C ATOM 1195 C CYS A 76 -9.426 6.642 5.639 1.00 0.00 C ATOM 1196 O CYS A 76 -8.294 6.217 5.421 1.00 0.00 O ATOM 1197 CB CYS A 76 -11.375 5.660 4.389 1.00 0.00 C ATOM 1198 SG CYS A 76 -10.333 5.452 2.929 1.00 0.00 S ATOM 0 H CYS A 76 -12.461 6.269 6.475 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.233 4.690 5.926 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.101 4.847 4.420 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.939 6.587 4.287 1.00 0.00 H new ATOM 0 HG CYS A 76 -11.032 5.691 1.859 1.00 0.00 H new ATOM 1204 N GLY A 77 -9.709 7.929 5.792 1.00 0.00 N ATOM 1205 CA GLY A 77 -8.666 8.956 5.799 1.00 0.00 C ATOM 1206 C GLY A 77 -7.516 8.616 6.726 1.00 0.00 C ATOM 1207 O GLY A 77 -6.396 8.376 6.260 1.00 0.00 O ATOM 0 H GLY A 77 -10.655 8.291 5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.284 9.087 4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.102 9.908 6.101 1.00 0.00 H new ATOM 1211 N PRO A 78 -7.753 8.609 8.057 1.00 0.00 N ATOM 1212 CA PRO A 78 -6.743 8.216 9.035 1.00 0.00 C ATOM 1213 C PRO A 78 -6.091 6.884 8.667 1.00 0.00 C ATOM 1214 O PRO A 78 -4.870 6.774 8.659 1.00 0.00 O ATOM 1215 CB PRO A 78 -7.543 8.075 10.331 1.00 0.00 C ATOM 1216 CG PRO A 78 -8.677 9.022 10.170 1.00 0.00 C ATOM 1217 CD PRO A 78 -9.013 9.024 8.704 1.00 0.00 C ATOM 0 HA PRO A 78 -5.927 8.935 9.101 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.895 7.053 10.471 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.937 8.325 11.202 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.534 8.709 10.766 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.402 10.021 10.508 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.826 8.334 8.478 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -9.330 10.011 8.367 1.00 0.00 H new ATOM 1225 N ALA A 79 -6.926 5.864 8.410 1.00 0.00 N ATOM 1226 CA ALA A 79 -6.439 4.544 7.975 1.00 0.00 C ATOM 1227 C ALA A 79 -5.378 4.655 6.876 1.00 0.00 C ATOM 1228 O ALA A 79 -4.358 3.969 6.917 1.00 0.00 O ATOM 1229 CB ALA A 79 -7.601 3.667 7.514 1.00 0.00 C ATOM 0 H ALA A 79 -7.940 5.928 8.496 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.964 4.075 8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.220 2.696 7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.303 3.530 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.111 4.148 6.679 1.00 0.00 H new ATOM 1235 N ILE A 80 -5.611 5.535 5.921 1.00 0.00 N ATOM 1236 CA ILE A 80 -4.664 5.731 4.832 1.00 0.00 C ATOM 1237 C ILE A 80 -3.426 6.484 5.300 1.00 0.00 C ATOM 1238 O ILE A 80 -2.291 6.098 4.996 1.00 0.00 O ATOM 1239 CB ILE A 80 -5.318 6.435 3.600 1.00 0.00 C ATOM 1240 CG1 ILE A 80 -5.853 5.393 2.612 1.00 0.00 C ATOM 1241 CG2 ILE A 80 -4.338 7.373 2.890 1.00 0.00 C ATOM 1242 CD1 ILE A 80 -6.787 4.376 3.223 1.00 0.00 C ATOM 0 H ILE A 80 -6.442 6.124 5.874 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.351 4.739 4.506 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.145 7.039 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.374 5.909 1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.009 4.869 2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.834 7.841 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.004 8.144 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.478 6.803 2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.118 3.678 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.266 3.830 4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.652 4.885 3.647 1.00 0.00 H new ATOM 1254 N LEU A 81 -3.653 7.539 6.045 1.00 0.00 N ATOM 1255 CA LEU A 81 -2.579 8.357 6.583 1.00 0.00 C ATOM 1256 C LEU A 81 -1.636 7.509 7.430 1.00 0.00 C ATOM 1257 O LEU A 81 -0.414 7.618 7.318 1.00 0.00 O ATOM 1258 CB LEU A 81 -3.153 9.505 7.417 1.00 0.00 C ATOM 1259 CG LEU A 81 -2.134 10.508 7.962 1.00 0.00 C ATOM 1260 CD1 LEU A 81 -1.394 11.193 6.824 1.00 0.00 C ATOM 1261 CD2 LEU A 81 -2.823 11.533 8.849 1.00 0.00 C ATOM 0 H LEU A 81 -4.587 7.860 6.299 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.014 8.777 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.876 10.046 6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.701 9.079 8.258 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.404 9.966 8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.674 11.902 7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.869 10.445 6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.107 11.723 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.085 12.240 9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.574 12.069 8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.304 11.026 9.685 1.00 0.00 H new ATOM 1273 N ARG A 82 -2.213 6.651 8.257 1.00 0.00 N ATOM 1274 CA ARG A 82 -1.438 5.772 9.107 1.00 0.00 C ATOM 1275 C ARG A 82 -0.733 4.711 8.289 1.00 0.00 C ATOM 1276 O ARG A 82 0.393 4.347 8.593 1.00 0.00 O ATOM 1277 CB ARG A 82 -2.312 5.120 10.176 1.00 0.00 C ATOM 1278 CG ARG A 82 -2.722 6.064 11.293 1.00 0.00 C ATOM 1279 CD ARG A 82 -3.519 5.339 12.365 1.00 0.00 C ATOM 1280 NE ARG A 82 -3.778 6.189 13.529 1.00 0.00 N ATOM 1281 CZ ARG A 82 -4.293 5.749 14.682 1.00 0.00 C ATOM 1282 NH1 ARG A 82 -4.603 4.466 14.827 1.00 0.00 N ATOM 1283 NH2 ARG A 82 -4.500 6.590 15.687 1.00 0.00 N ATOM 0 H ARG A 82 -3.223 6.547 8.355 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.686 6.382 9.608 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.209 4.720 9.704 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.774 4.275 10.606 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.833 6.512 11.738 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.318 6.879 10.883 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.467 5.001 11.945 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.975 4.449 12.681 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.551 7.181 13.456 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.448 3.814 14.058 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.996 4.133 15.707 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.266 7.577 15.582 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.893 6.249 16.564 1.00 0.00 H new ATOM 1297 N PHE A 83 -1.391 4.219 7.243 1.00 0.00 N ATOM 1298 CA PHE A 83 -0.785 3.208 6.393 1.00 0.00 C ATOM 1299 C PHE A 83 0.512 3.721 5.804 1.00 0.00 C ATOM 1300 O PHE A 83 1.550 3.062 5.879 1.00 0.00 O ATOM 1301 CB PHE A 83 -1.714 2.784 5.250 1.00 0.00 C ATOM 1302 CG PHE A 83 -1.097 1.714 4.410 1.00 0.00 C ATOM 1303 CD1 PHE A 83 -0.966 0.434 4.905 1.00 0.00 C ATOM 1304 CD2 PHE A 83 -0.613 1.993 3.143 1.00 0.00 C ATOM 1305 CE1 PHE A 83 -0.365 -0.546 4.161 1.00 0.00 C ATOM 1306 CE2 PHE A 83 -0.016 1.009 2.389 1.00 0.00 C ATOM 1307 CZ PHE A 83 0.108 -0.263 2.904 1.00 0.00 C ATOM 0 H PHE A 83 -2.332 4.502 6.969 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.594 2.339 7.023 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.658 2.426 5.661 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.945 3.649 4.628 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.342 0.202 5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.705 2.992 2.743 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.263 -1.543 4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.353 1.232 1.399 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.578 -1.039 2.318 1.00 0.00 H new ATOM 1317 N ARG A 84 0.446 4.908 5.244 1.00 0.00 N ATOM 1318 CA ARG A 84 1.588 5.511 4.600 1.00 0.00 C ATOM 1319 C ARG A 84 2.650 5.848 5.619 1.00 0.00 C ATOM 1320 O ARG A 84 3.842 5.650 5.378 1.00 0.00 O ATOM 1321 CB ARG A 84 1.162 6.756 3.831 1.00 0.00 C ATOM 1322 CG ARG A 84 2.261 7.367 2.986 1.00 0.00 C ATOM 1323 CD ARG A 84 1.746 8.550 2.194 1.00 0.00 C ATOM 1324 NE ARG A 84 0.634 8.183 1.311 1.00 0.00 N ATOM 1325 CZ ARG A 84 -0.100 9.062 0.630 1.00 0.00 C ATOM 1326 NH1 ARG A 84 0.142 10.362 0.743 1.00 0.00 N ATOM 1327 NH2 ARG A 84 -1.074 8.644 -0.161 1.00 0.00 N ATOM 0 H ARG A 84 -0.398 5.480 5.223 1.00 0.00 H new ATOM 0 HA ARG A 84 2.010 4.797 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.321 6.501 3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.805 7.503 4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.083 7.685 3.627 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.661 6.616 2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.420 9.331 2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.558 8.968 1.599 1.00 0.00 H new ATOM 0 HE ARG A 84 0.408 7.193 1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.891 10.690 1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.421 11.033 0.221 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.265 7.646 -0.251 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.634 9.320 -0.681 1.00 0.00 H new ATOM 1341 N GLN A 85 2.215 6.340 6.764 1.00 0.00 N ATOM 1342 CA GLN A 85 3.123 6.667 7.837 1.00 0.00 C ATOM 1343 C GLN A 85 3.856 5.417 8.309 1.00 0.00 C ATOM 1344 O GLN A 85 5.068 5.445 8.531 1.00 0.00 O ATOM 1345 CB GLN A 85 2.371 7.322 9.003 1.00 0.00 C ATOM 1346 CG GLN A 85 3.252 7.683 10.194 1.00 0.00 C ATOM 1347 CD GLN A 85 4.383 8.626 9.827 1.00 0.00 C ATOM 1348 OE1 GLN A 85 4.234 9.846 9.873 1.00 0.00 O ATOM 1349 NE2 GLN A 85 5.520 8.068 9.464 1.00 0.00 N ATOM 0 H GLN A 85 1.233 6.521 6.971 1.00 0.00 H new ATOM 0 HA GLN A 85 3.857 7.380 7.462 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.880 8.226 8.642 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.585 6.645 9.339 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.638 8.144 10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.670 6.771 10.620 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.604 7.052 9.439 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.316 8.652 9.209 1.00 0.00 H new ATOM 1358 N LEU A 86 3.134 4.309 8.423 1.00 0.00 N ATOM 1359 CA LEU A 86 3.748 3.070 8.898 1.00 0.00 C ATOM 1360 C LEU A 86 4.649 2.479 7.839 1.00 0.00 C ATOM 1361 O LEU A 86 5.723 1.976 8.138 1.00 0.00 O ATOM 1362 CB LEU A 86 2.691 2.049 9.338 1.00 0.00 C ATOM 1363 CG LEU A 86 2.289 2.073 10.827 1.00 0.00 C ATOM 1364 CD1 LEU A 86 3.471 1.724 11.716 1.00 0.00 C ATOM 1365 CD2 LEU A 86 1.703 3.419 11.225 1.00 0.00 C ATOM 0 H LEU A 86 2.141 4.239 8.199 1.00 0.00 H new ATOM 0 HA LEU A 86 4.353 3.317 9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.794 2.207 8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.060 1.051 9.100 1.00 0.00 H new ATOM 0 HG LEU A 86 1.517 1.317 10.967 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.160 1.748 12.761 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.831 0.726 11.467 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.271 2.448 11.559 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.431 3.400 12.280 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.442 4.202 11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.816 3.621 10.625 1.00 0.00 H new ATOM 1377 N LEU A 87 4.205 2.555 6.603 1.00 0.00 N ATOM 1378 CA LEU A 87 4.976 2.077 5.471 1.00 0.00 C ATOM 1379 C LEU A 87 6.319 2.768 5.431 1.00 0.00 C ATOM 1380 O LEU A 87 7.339 2.168 5.126 1.00 0.00 O ATOM 1381 CB LEU A 87 4.198 2.329 4.173 1.00 0.00 C ATOM 1382 CG LEU A 87 4.929 2.008 2.874 1.00 0.00 C ATOM 1383 CD1 LEU A 87 3.955 1.469 1.852 1.00 0.00 C ATOM 1384 CD2 LEU A 87 5.627 3.248 2.320 1.00 0.00 C ATOM 0 H LEU A 87 3.299 2.950 6.352 1.00 0.00 H new ATOM 0 HA LEU A 87 5.145 1.005 5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.281 1.740 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.903 3.378 4.149 1.00 0.00 H new ATOM 0 HG LEU A 87 5.686 1.253 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.486 1.243 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.491 0.561 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.185 2.215 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.141 2.993 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.888 4.024 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.351 3.614 3.048 1.00 0.00 H new ATOM 1396 N ALA A 88 6.294 4.021 5.762 1.00 0.00 N ATOM 1397 CA ALA A 88 7.478 4.842 5.791 1.00 0.00 C ATOM 1398 C ALA A 88 8.378 4.451 6.939 1.00 0.00 C ATOM 1399 O ALA A 88 9.598 4.545 6.848 1.00 0.00 O ATOM 1400 CB ALA A 88 7.107 6.313 5.876 1.00 0.00 C ATOM 0 H ALA A 88 5.441 4.516 6.025 1.00 0.00 H new ATOM 0 HA ALA A 88 8.026 4.679 4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.014 6.916 5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.508 6.588 5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.532 6.491 6.785 1.00 0.00 H new ATOM 1406 N GLU A 89 7.777 4.008 8.019 1.00 0.00 N ATOM 1407 CA GLU A 89 8.536 3.590 9.184 1.00 0.00 C ATOM 1408 C GLU A 89 9.192 2.245 8.938 1.00 0.00 C ATOM 1409 O GLU A 89 10.355 2.035 9.286 1.00 0.00 O ATOM 1410 CB GLU A 89 7.652 3.545 10.435 1.00 0.00 C ATOM 1411 CG GLU A 89 7.085 4.901 10.826 1.00 0.00 C ATOM 1412 CD GLU A 89 6.315 4.866 12.128 1.00 0.00 C ATOM 1413 OE1 GLU A 89 6.958 4.863 13.202 1.00 0.00 O ATOM 1414 OE2 GLU A 89 5.071 4.859 12.094 1.00 0.00 O ATOM 0 H GLU A 89 6.765 3.926 8.119 1.00 0.00 H new ATOM 0 HA GLU A 89 9.319 4.328 9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.829 2.851 10.264 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.234 3.150 11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.901 5.619 10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.429 5.257 10.032 1.00 0.00 H new ATOM 1421 N GLN A 90 8.455 1.354 8.305 1.00 0.00 N ATOM 1422 CA GLN A 90 8.976 0.015 7.992 1.00 0.00 C ATOM 1423 C GLN A 90 9.832 0.039 6.734 1.00 0.00 C ATOM 1424 O GLN A 90 10.486 -0.956 6.404 1.00 0.00 O ATOM 1425 CB GLN A 90 7.844 -1.006 7.828 1.00 0.00 C ATOM 1426 CG GLN A 90 7.316 -1.592 9.134 1.00 0.00 C ATOM 1427 CD GLN A 90 6.752 -0.547 10.069 1.00 0.00 C ATOM 1428 OE1 GLN A 90 7.441 -0.036 10.950 1.00 0.00 O ATOM 1429 NE2 GLN A 90 5.508 -0.206 9.866 1.00 0.00 N ATOM 0 H GLN A 90 7.498 1.520 7.994 1.00 0.00 H new ATOM 0 HA GLN A 90 9.596 -0.290 8.835 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.018 -0.530 7.300 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.198 -1.821 7.197 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.542 -2.325 8.909 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.122 -2.125 9.638 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.971 -0.655 9.124 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.073 0.509 10.449 1.00 0.00 H new ATOM 1438 N GLU A 91 9.802 1.179 6.035 1.00 0.00 N ATOM 1439 CA GLU A 91 10.580 1.396 4.799 1.00 0.00 C ATOM 1440 C GLU A 91 9.952 0.668 3.605 1.00 0.00 C ATOM 1441 O GLU A 91 9.191 -0.287 3.777 1.00 0.00 O ATOM 1442 CB GLU A 91 12.055 0.978 4.970 1.00 0.00 C ATOM 1443 CG GLU A 91 12.880 1.922 5.827 1.00 0.00 C ATOM 1444 CD GLU A 91 13.026 3.298 5.210 1.00 0.00 C ATOM 1445 OE1 GLU A 91 13.745 3.428 4.193 1.00 0.00 O ATOM 1446 OE2 GLU A 91 12.438 4.259 5.747 1.00 0.00 O ATOM 0 H GLU A 91 9.237 1.983 6.307 1.00 0.00 H new ATOM 0 HA GLU A 91 10.556 2.467 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.089 -0.018 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.516 0.905 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.414 2.016 6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.869 1.492 5.984 1.00 0.00 H new ATOM 1453 N PRO A 92 10.248 1.137 2.369 1.00 0.00 N ATOM 1454 CA PRO A 92 9.733 0.526 1.145 1.00 0.00 C ATOM 1455 C PRO A 92 9.990 -0.975 1.093 1.00 0.00 C ATOM 1456 O PRO A 92 11.141 -1.422 1.103 1.00 0.00 O ATOM 1457 CB PRO A 92 10.511 1.237 0.036 1.00 0.00 C ATOM 1458 CG PRO A 92 10.862 2.557 0.619 1.00 0.00 C ATOM 1459 CD PRO A 92 11.090 2.313 2.083 1.00 0.00 C ATOM 0 HA PRO A 92 8.651 0.634 1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 92 11.403 0.677 -0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.907 1.348 -0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 92 11.755 2.967 0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.060 3.278 0.464 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.140 2.117 2.299 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.796 3.173 2.684 1.00 0.00 H new ATOM 1467 N GLU A 93 8.909 -1.730 1.008 1.00 0.00 N ATOM 1468 CA GLU A 93 8.929 -3.171 0.973 1.00 0.00 C ATOM 1469 C GLU A 93 7.555 -3.653 0.625 1.00 0.00 C ATOM 1470 O GLU A 93 6.689 -3.707 1.468 1.00 0.00 O ATOM 1471 CB GLU A 93 9.377 -3.767 2.316 1.00 0.00 C ATOM 1472 CG GLU A 93 10.856 -4.116 2.367 1.00 0.00 C ATOM 1473 CD GLU A 93 11.305 -4.564 3.734 1.00 0.00 C ATOM 1474 OE1 GLU A 93 10.942 -5.687 4.140 1.00 0.00 O ATOM 1475 OE2 GLU A 93 12.038 -3.801 4.403 1.00 0.00 O ATOM 0 H GLU A 93 7.968 -1.340 0.960 1.00 0.00 H new ATOM 0 HA GLU A 93 9.650 -3.497 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.153 -3.056 3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.794 -4.665 2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.063 -4.906 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.440 -3.247 2.065 1.00 0.00 H new ATOM 1482 N VAL A 94 7.353 -3.943 -0.645 1.00 0.00 N ATOM 1483 CA VAL A 94 6.072 -4.421 -1.163 1.00 0.00 C ATOM 1484 C VAL A 94 5.538 -5.591 -0.337 1.00 0.00 C ATOM 1485 O VAL A 94 4.330 -5.778 -0.193 1.00 0.00 O ATOM 1486 CB VAL A 94 6.210 -4.820 -2.641 1.00 0.00 C ATOM 1487 CG1 VAL A 94 7.091 -6.049 -2.815 1.00 0.00 C ATOM 1488 CG2 VAL A 94 4.852 -5.005 -3.285 1.00 0.00 C ATOM 0 H VAL A 94 8.076 -3.855 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 94 5.352 -3.606 -1.085 1.00 0.00 H new ATOM 0 HB VAL A 94 6.709 -4.000 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.163 -6.298 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.087 -5.842 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.655 -6.889 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.980 -5.287 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.305 -5.790 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.292 -4.072 -3.227 1.00 0.00 H new ATOM 1498 N GLN A 95 6.460 -6.341 0.213 1.00 0.00 N ATOM 1499 CA GLN A 95 6.163 -7.456 1.092 1.00 0.00 C ATOM 1500 C GLN A 95 5.420 -6.944 2.322 1.00 0.00 C ATOM 1501 O GLN A 95 4.410 -7.515 2.750 1.00 0.00 O ATOM 1502 CB GLN A 95 7.472 -8.104 1.534 1.00 0.00 C ATOM 1503 CG GLN A 95 8.394 -8.476 0.381 1.00 0.00 C ATOM 1504 CD GLN A 95 9.865 -8.468 0.773 1.00 0.00 C ATOM 1505 OE1 GLN A 95 10.656 -9.241 0.252 1.00 0.00 O ATOM 1506 NE2 GLN A 95 10.245 -7.564 1.669 1.00 0.00 N ATOM 0 H GLN A 95 7.458 -6.195 0.063 1.00 0.00 H new ATOM 0 HA GLN A 95 5.546 -8.185 0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 95 7.998 -7.421 2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.246 -9.001 2.110 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.126 -9.467 0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.239 -7.778 -0.442 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.557 -6.935 2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.225 -7.498 1.943 1.00 0.00 H new ATOM 1515 N GLU A 96 5.908 -5.832 2.853 1.00 0.00 N ATOM 1516 CA GLU A 96 5.346 -5.247 4.033 1.00 0.00 C ATOM 1517 C GLU A 96 4.168 -4.374 3.661 1.00 0.00 C ATOM 1518 O GLU A 96 3.287 -4.169 4.446 1.00 0.00 O ATOM 1519 CB GLU A 96 6.407 -4.438 4.789 1.00 0.00 C ATOM 1520 CG GLU A 96 5.945 -3.912 6.143 1.00 0.00 C ATOM 1521 CD GLU A 96 5.570 -5.022 7.106 1.00 0.00 C ATOM 1522 OE1 GLU A 96 6.484 -5.661 7.667 1.00 0.00 O ATOM 1523 OE2 GLU A 96 4.367 -5.252 7.317 1.00 0.00 O ATOM 0 H GLU A 96 6.703 -5.321 2.469 1.00 0.00 H new ATOM 0 HA GLU A 96 4.997 -6.042 4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.288 -5.063 4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.714 -3.595 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.738 -3.308 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.087 -3.256 5.999 1.00 0.00 H new ATOM 1530 N VAL A 97 4.167 -3.873 2.437 1.00 0.00 N ATOM 1531 CA VAL A 97 3.069 -3.051 1.961 1.00 0.00 C ATOM 1532 C VAL A 97 1.757 -3.812 2.085 1.00 0.00 C ATOM 1533 O VAL A 97 0.810 -3.342 2.697 1.00 0.00 O ATOM 1534 CB VAL A 97 3.274 -2.605 0.488 1.00 0.00 C ATOM 1535 CG1 VAL A 97 2.054 -1.861 -0.034 1.00 0.00 C ATOM 1536 CG2 VAL A 97 4.509 -1.732 0.365 1.00 0.00 C ATOM 0 H VAL A 97 4.913 -4.021 1.757 1.00 0.00 H new ATOM 0 HA VAL A 97 3.039 -2.155 2.581 1.00 0.00 H new ATOM 0 HB VAL A 97 3.412 -3.501 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.226 -1.561 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.182 -2.513 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.879 -0.975 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.638 -1.428 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.393 -0.847 0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.385 -2.293 0.690 1.00 0.00 H new ATOM 1546 N SER A 98 1.725 -4.998 1.513 1.00 0.00 N ATOM 1547 CA SER A 98 0.550 -5.834 1.554 1.00 0.00 C ATOM 1548 C SER A 98 0.275 -6.345 2.973 1.00 0.00 C ATOM 1549 O SER A 98 -0.873 -6.429 3.410 1.00 0.00 O ATOM 1550 CB SER A 98 0.713 -7.004 0.587 1.00 0.00 C ATOM 1551 OG SER A 98 1.056 -6.537 -0.709 1.00 0.00 O ATOM 0 H SER A 98 2.512 -5.406 1.009 1.00 0.00 H new ATOM 0 HA SER A 98 -0.307 -5.233 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.486 -7.680 0.952 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.214 -7.576 0.540 1.00 0.00 H new ATOM 0 HG SER A 98 1.158 -7.300 -1.315 1.00 0.00 H new ATOM 1557 N GLN A 99 1.334 -6.674 3.674 1.00 0.00 N ATOM 1558 CA GLN A 99 1.241 -7.197 5.045 1.00 0.00 C ATOM 1559 C GLN A 99 0.720 -6.137 6.013 1.00 0.00 C ATOM 1560 O GLN A 99 -0.160 -6.402 6.829 1.00 0.00 O ATOM 1561 CB GLN A 99 2.605 -7.688 5.504 1.00 0.00 C ATOM 1562 CG GLN A 99 2.585 -8.429 6.825 1.00 0.00 C ATOM 1563 CD GLN A 99 3.975 -8.695 7.356 1.00 0.00 C ATOM 1564 OE1 GLN A 99 4.180 -8.805 8.563 1.00 0.00 O ATOM 1565 NE2 GLN A 99 4.941 -8.785 6.466 1.00 0.00 N ATOM 0 H GLN A 99 2.289 -6.592 3.324 1.00 0.00 H new ATOM 0 HA GLN A 99 0.534 -8.027 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.019 -8.344 4.738 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.277 -6.834 5.589 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.024 -7.847 7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.059 -9.376 6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.730 -8.688 5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.900 -8.952 6.770 1.00 0.00 H new ATOM 1574 N LEU A 100 1.250 -4.943 5.885 1.00 0.00 N ATOM 1575 CA LEU A 100 0.883 -3.824 6.734 1.00 0.00 C ATOM 1576 C LEU A 100 -0.518 -3.418 6.367 1.00 0.00 C ATOM 1577 O LEU A 100 -1.305 -2.991 7.210 1.00 0.00 O ATOM 1578 CB LEU A 100 1.880 -2.655 6.527 1.00 0.00 C ATOM 1579 CG LEU A 100 2.006 -1.596 7.653 1.00 0.00 C ATOM 1580 CD1 LEU A 100 0.721 -0.809 7.847 1.00 0.00 C ATOM 1581 CD2 LEU A 100 2.443 -2.239 8.958 1.00 0.00 C ATOM 0 H LEU A 100 1.955 -4.715 5.184 1.00 0.00 H new ATOM 0 HA LEU A 100 0.922 -4.101 7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.868 -3.084 6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.600 -2.136 5.610 1.00 0.00 H new ATOM 0 HG LEU A 100 2.774 -0.889 7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.858 -0.080 8.646 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.469 -0.291 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.087 -1.491 8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.524 -1.475 9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.708 -2.985 9.260 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.412 -2.720 8.820 1.00 0.00 H new ATOM 1593 N PHE A 101 -0.838 -3.621 5.101 1.00 0.00 N ATOM 1594 CA PHE A 101 -2.151 -3.314 4.599 1.00 0.00 C ATOM 1595 C PHE A 101 -3.166 -4.238 5.221 1.00 0.00 C ATOM 1596 O PHE A 101 -4.251 -3.821 5.598 1.00 0.00 O ATOM 1597 CB PHE A 101 -2.199 -3.447 3.094 1.00 0.00 C ATOM 1598 CG PHE A 101 -3.529 -3.090 2.502 1.00 0.00 C ATOM 1599 CD1 PHE A 101 -3.973 -1.779 2.514 1.00 0.00 C ATOM 1600 CD2 PHE A 101 -4.326 -4.059 1.923 1.00 0.00 C ATOM 1601 CE1 PHE A 101 -5.190 -1.441 1.960 1.00 0.00 C ATOM 1602 CE2 PHE A 101 -5.546 -3.730 1.368 1.00 0.00 C ATOM 1603 CZ PHE A 101 -5.979 -2.418 1.385 1.00 0.00 C ATOM 0 H PHE A 101 -0.197 -4.000 4.404 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.385 -2.283 4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.433 -2.807 2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.952 -4.473 2.820 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.359 -1.012 2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.990 -5.085 1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.525 -0.414 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.161 -4.497 0.921 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.932 -2.157 0.950 1.00 0.00 H new ATOM 1613 N ARG A 102 -2.795 -5.495 5.362 1.00 0.00 N ATOM 1614 CA ARG A 102 -3.685 -6.462 5.944 1.00 0.00 C ATOM 1615 C ARG A 102 -3.733 -6.238 7.438 1.00 0.00 C ATOM 1616 O ARG A 102 -4.778 -6.353 8.057 1.00 0.00 O ATOM 1617 CB ARG A 102 -3.205 -7.884 5.652 1.00 0.00 C ATOM 1618 CG ARG A 102 -4.229 -8.958 5.992 1.00 0.00 C ATOM 1619 CD ARG A 102 -3.628 -10.353 5.902 1.00 0.00 C ATOM 1620 NE ARG A 102 -2.895 -10.562 4.655 1.00 0.00 N ATOM 1621 CZ ARG A 102 -3.413 -11.093 3.548 1.00 0.00 C ATOM 1622 NH1 ARG A 102 -4.684 -11.473 3.508 1.00 0.00 N ATOM 1623 NH2 ARG A 102 -2.657 -11.247 2.474 1.00 0.00 N ATOM 0 H ARG A 102 -1.886 -5.863 5.081 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.678 -6.342 5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.948 -7.961 4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.292 -8.073 6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.612 -8.791 6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.077 -8.882 5.311 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.957 -10.512 6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.423 -11.094 5.982 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.915 -10.281 4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.276 -11.360 4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.069 -11.878 2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.679 -10.959 2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.052 -11.653 1.626 1.00 0.00 H new ATOM 1637 N SER A 103 -2.580 -5.887 7.994 1.00 0.00 N ATOM 1638 CA SER A 103 -2.440 -5.653 9.417 1.00 0.00 C ATOM 1639 C SER A 103 -3.402 -4.569 9.897 1.00 0.00 C ATOM 1640 O SER A 103 -4.265 -4.826 10.741 1.00 0.00 O ATOM 1641 CB SER A 103 -0.989 -5.271 9.745 1.00 0.00 C ATOM 1642 OG SER A 103 -0.783 -5.151 11.142 1.00 0.00 O ATOM 0 H SER A 103 -1.717 -5.758 7.466 1.00 0.00 H new ATOM 0 HA SER A 103 -2.692 -6.574 9.942 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.314 -6.025 9.341 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.742 -4.328 9.258 1.00 0.00 H new ATOM 0 HG SER A 103 0.151 -4.909 11.315 1.00 0.00 H new ATOM 1648 N VAL A 104 -3.271 -3.373 9.344 1.00 0.00 N ATOM 1649 CA VAL A 104 -4.123 -2.258 9.724 1.00 0.00 C ATOM 1650 C VAL A 104 -5.586 -2.545 9.423 1.00 0.00 C ATOM 1651 O VAL A 104 -6.471 -2.170 10.190 1.00 0.00 O ATOM 1652 CB VAL A 104 -3.672 -0.917 9.060 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -3.754 -0.984 7.542 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -4.482 0.258 9.595 1.00 0.00 C ATOM 0 H VAL A 104 -2.580 -3.150 8.628 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.017 -2.139 10.802 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.626 -0.760 9.325 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.432 -0.033 7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.106 -1.781 7.177 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.782 -1.186 7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.148 1.178 9.116 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.539 0.100 9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.340 0.337 10.673 1.00 0.00 H new ATOM 1664 N LEU A 105 -5.840 -3.214 8.316 1.00 0.00 N ATOM 1665 CA LEU A 105 -7.194 -3.589 7.952 1.00 0.00 C ATOM 1666 C LEU A 105 -7.793 -4.565 8.950 1.00 0.00 C ATOM 1667 O LEU A 105 -8.979 -4.510 9.223 1.00 0.00 O ATOM 1668 CB LEU A 105 -7.240 -4.164 6.543 1.00 0.00 C ATOM 1669 CG LEU A 105 -7.604 -3.169 5.424 1.00 0.00 C ATOM 1670 CD1 LEU A 105 -9.051 -2.743 5.541 1.00 0.00 C ATOM 1671 CD2 LEU A 105 -6.694 -1.950 5.454 1.00 0.00 C ATOM 0 H LEU A 105 -5.126 -3.510 7.651 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.799 -2.683 7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.266 -4.597 6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.963 -4.980 6.527 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.462 -3.676 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.289 -2.041 4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.696 -3.618 5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.212 -2.263 6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.975 -1.266 4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.794 -1.445 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.660 -2.265 5.316 1.00 0.00 H new ATOM 1683 N GLN A 106 -6.973 -5.455 9.498 1.00 0.00 N ATOM 1684 CA GLN A 106 -7.452 -6.381 10.517 1.00 0.00 C ATOM 1685 C GLN A 106 -7.726 -5.618 11.784 1.00 0.00 C ATOM 1686 O GLN A 106 -8.663 -5.914 12.520 1.00 0.00 O ATOM 1687 CB GLN A 106 -6.436 -7.497 10.787 1.00 0.00 C ATOM 1688 CG GLN A 106 -6.227 -8.448 9.621 1.00 0.00 C ATOM 1689 CD GLN A 106 -7.509 -9.114 9.175 1.00 0.00 C ATOM 1690 OE1 GLN A 106 -7.877 -10.172 9.674 1.00 0.00 O ATOM 1691 NE2 GLN A 106 -8.192 -8.502 8.225 1.00 0.00 N ATOM 0 H GLN A 106 -5.987 -5.555 9.258 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.367 -6.850 10.156 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.479 -7.046 11.048 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -6.765 -8.070 11.654 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.796 -7.900 8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.505 -9.213 9.906 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.850 -7.623 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.061 -8.908 7.879 1.00 0.00 H new ATOM 1700 N GLU A 107 -6.907 -4.620 12.008 1.00 0.00 N ATOM 1701 CA GLU A 107 -7.052 -3.754 13.171 1.00 0.00 C ATOM 1702 C GLU A 107 -8.387 -3.017 13.131 1.00 0.00 C ATOM 1703 O GLU A 107 -9.215 -3.133 14.055 1.00 0.00 O ATOM 1704 CB GLU A 107 -5.895 -2.757 13.252 1.00 0.00 C ATOM 1705 CG GLU A 107 -4.609 -3.358 13.784 1.00 0.00 C ATOM 1706 CD GLU A 107 -4.740 -3.789 15.229 1.00 0.00 C ATOM 1707 OE1 GLU A 107 -4.649 -2.914 16.124 1.00 0.00 O ATOM 1708 OE2 GLU A 107 -4.943 -4.989 15.483 1.00 0.00 O ATOM 0 H GLU A 107 -6.124 -4.379 11.400 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.030 -4.380 14.063 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.710 -2.347 12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.188 -1.925 13.892 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.330 -4.217 13.173 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.804 -2.629 13.695 1.00 0.00 H new ATOM 1715 N VAL A 108 -8.614 -2.284 12.051 1.00 0.00 N ATOM 1716 CA VAL A 108 -9.847 -1.540 11.902 1.00 0.00 C ATOM 1717 C VAL A 108 -11.033 -2.482 11.805 1.00 0.00 C ATOM 1718 O VAL A 108 -12.108 -2.172 12.271 1.00 0.00 O ATOM 1719 CB VAL A 108 -9.826 -0.585 10.673 1.00 0.00 C ATOM 1720 CG1 VAL A 108 -8.647 0.353 10.749 1.00 0.00 C ATOM 1721 CG2 VAL A 108 -9.803 -1.351 9.361 1.00 0.00 C ATOM 0 H VAL A 108 -7.962 -2.191 11.272 1.00 0.00 H new ATOM 0 HA VAL A 108 -9.946 -0.921 12.794 1.00 0.00 H new ATOM 0 HB VAL A 108 -10.747 -0.002 10.701 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.650 1.012 9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.715 0.950 11.658 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.723 -0.225 10.763 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.789 -0.647 8.529 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.912 -1.978 9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -10.692 -1.978 9.290 1.00 0.00 H new ATOM 1731 N LEU A 109 -10.810 -3.656 11.236 1.00 0.00 N ATOM 1732 CA LEU A 109 -11.874 -4.624 11.061 1.00 0.00 C ATOM 1733 C LEU A 109 -12.471 -5.024 12.397 1.00 0.00 C ATOM 1734 O LEU A 109 -13.691 -5.104 12.538 1.00 0.00 O ATOM 1735 CB LEU A 109 -11.386 -5.866 10.307 1.00 0.00 C ATOM 1736 CG LEU A 109 -12.406 -7.003 10.160 1.00 0.00 C ATOM 1737 CD1 LEU A 109 -13.631 -6.546 9.380 1.00 0.00 C ATOM 1738 CD2 LEU A 109 -11.766 -8.212 9.497 1.00 0.00 C ATOM 0 H LEU A 109 -9.900 -3.959 10.888 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.649 -4.147 10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.065 -5.560 9.311 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.507 -6.256 10.819 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.735 -7.291 11.158 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -14.336 -7.373 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -14.107 -5.717 9.904 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -13.328 -6.220 8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.505 -9.008 9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.402 -7.934 8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.932 -8.562 10.106 1.00 0.00 H new ATOM 1750 N GLU A 110 -11.612 -5.264 13.381 1.00 0.00 N ATOM 1751 CA GLU A 110 -12.078 -5.637 14.700 1.00 0.00 C ATOM 1752 C GLU A 110 -12.890 -4.513 15.315 1.00 0.00 C ATOM 1753 O GLU A 110 -13.959 -4.747 15.870 1.00 0.00 O ATOM 1754 CB GLU A 110 -10.916 -6.018 15.617 1.00 0.00 C ATOM 1755 CG GLU A 110 -10.085 -7.181 15.104 1.00 0.00 C ATOM 1756 CD GLU A 110 -9.166 -7.749 16.159 1.00 0.00 C ATOM 1757 OE1 GLU A 110 -8.357 -6.990 16.734 1.00 0.00 O ATOM 1758 OE2 GLU A 110 -9.246 -8.967 16.423 1.00 0.00 O ATOM 0 H GLU A 110 -10.598 -5.206 13.286 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.717 -6.513 14.590 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.269 -5.151 15.747 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -11.310 -6.272 16.601 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.750 -7.967 14.745 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.492 -6.851 14.251 1.00 0.00 H new ATOM 1765 N ARG A 111 -12.400 -3.281 15.188 1.00 0.00 N ATOM 1766 CA ARG A 111 -13.119 -2.135 15.753 1.00 0.00 C ATOM 1767 C ARG A 111 -14.431 -1.880 15.013 1.00 0.00 C ATOM 1768 O ARG A 111 -15.461 -1.626 15.632 1.00 0.00 O ATOM 1769 CB ARG A 111 -12.252 -0.868 15.759 1.00 0.00 C ATOM 1770 CG ARG A 111 -11.571 -0.601 17.097 1.00 0.00 C ATOM 1771 CD ARG A 111 -10.465 -1.601 17.384 1.00 0.00 C ATOM 1772 NE ARG A 111 -9.241 -1.282 16.652 1.00 0.00 N ATOM 1773 CZ ARG A 111 -8.090 -1.952 16.773 1.00 0.00 C ATOM 1774 NH1 ARG A 111 -8.018 -3.033 17.543 1.00 0.00 N ATOM 1775 NH2 ARG A 111 -7.011 -1.538 16.114 1.00 0.00 N ATOM 0 H ARG A 111 -11.528 -3.051 14.711 1.00 0.00 H new ATOM 0 HA ARG A 111 -13.354 -2.386 16.787 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.490 -0.955 14.984 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -12.874 -0.011 15.500 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -11.157 0.407 17.098 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -12.312 -0.642 17.895 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -10.256 -1.614 18.454 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -10.801 -2.602 17.112 1.00 0.00 H new ATOM 0 HE ARG A 111 -9.266 -0.494 16.004 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -8.844 -3.357 18.046 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.137 -3.539 17.631 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -7.063 -0.712 15.518 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -6.132 -2.047 16.204 1.00 0.00 H new ATOM 1789 N MET A 112 -14.380 -1.974 13.699 1.00 0.00 N ATOM 1790 CA MET A 112 -15.549 -1.755 12.846 1.00 0.00 C ATOM 1791 C MET A 112 -16.630 -2.782 13.109 1.00 0.00 C ATOM 1792 O MET A 112 -17.794 -2.439 13.306 1.00 0.00 O ATOM 1793 CB MET A 112 -15.151 -1.790 11.372 1.00 0.00 C ATOM 1794 CG MET A 112 -14.686 -0.455 10.806 1.00 0.00 C ATOM 1795 SD MET A 112 -13.443 0.371 11.812 1.00 0.00 S ATOM 1796 CE MET A 112 -12.883 1.614 10.667 1.00 0.00 C ATOM 0 H MET A 112 -13.530 -2.204 13.185 1.00 0.00 H new ATOM 0 HA MET A 112 -15.949 -0.770 13.088 1.00 0.00 H new ATOM 0 HB2 MET A 112 -14.353 -2.522 11.242 1.00 0.00 H new ATOM 0 HB3 MET A 112 -16.002 -2.140 10.788 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.282 -0.616 9.807 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.548 0.203 10.699 1.00 0.00 H new ATOM 0 HE1 MET A 112 -11.832 1.834 10.854 1.00 0.00 H new ATOM 0 HE2 MET A 112 -13.001 1.249 9.647 1.00 0.00 H new ATOM 0 HE3 MET A 112 -13.472 2.521 10.798 1.00 0.00 H new ATOM 1806 N LYS A 113 -16.232 -4.033 13.118 1.00 0.00 N ATOM 1807 CA LYS A 113 -17.152 -5.145 13.334 1.00 0.00 C ATOM 1808 C LYS A 113 -17.834 -5.032 14.698 1.00 0.00 C ATOM 1809 O LYS A 113 -19.033 -5.304 14.835 1.00 0.00 O ATOM 1810 CB LYS A 113 -16.400 -6.474 13.233 1.00 0.00 C ATOM 1811 CG LYS A 113 -17.286 -7.704 13.337 1.00 0.00 C ATOM 1812 CD LYS A 113 -16.464 -8.987 13.379 1.00 0.00 C ATOM 1813 CE LYS A 113 -15.542 -9.018 14.591 1.00 0.00 C ATOM 1814 NZ LYS A 113 -14.790 -10.290 14.686 1.00 0.00 N ATOM 0 H LYS A 113 -15.263 -4.317 12.977 1.00 0.00 H new ATOM 0 HA LYS A 113 -17.921 -5.108 12.562 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -15.866 -6.505 12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -15.649 -6.514 14.022 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -17.900 -7.635 14.235 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -17.967 -7.735 12.486 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -17.132 -9.848 13.406 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -15.872 -9.071 12.468 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -14.840 -8.186 14.534 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -16.131 -8.877 15.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -14.175 -10.268 15.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -15.458 -11.083 14.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.208 -10.414 13.833 1.00 0.00 H new ATOM 1828 N GLN A 114 -17.069 -4.629 15.701 1.00 0.00 N ATOM 1829 CA GLN A 114 -17.600 -4.478 17.040 1.00 0.00 C ATOM 1830 C GLN A 114 -18.481 -3.244 17.141 1.00 0.00 C ATOM 1831 O GLN A 114 -19.561 -3.300 17.719 1.00 0.00 O ATOM 1832 CB GLN A 114 -16.473 -4.418 18.075 1.00 0.00 C ATOM 1833 CG GLN A 114 -15.668 -5.705 18.177 1.00 0.00 C ATOM 1834 CD GLN A 114 -16.512 -6.892 18.601 1.00 0.00 C ATOM 1835 OE1 GLN A 114 -17.083 -7.600 17.764 1.00 0.00 O ATOM 1836 NE2 GLN A 114 -16.591 -7.123 19.893 1.00 0.00 N ATOM 0 H GLN A 114 -16.079 -4.402 15.610 1.00 0.00 H new ATOM 0 HA GLN A 114 -18.213 -5.354 17.254 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -15.801 -3.599 17.820 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -16.900 -4.188 19.051 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.208 -5.918 17.212 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.858 -5.566 18.893 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.104 -6.514 20.551 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.139 -7.911 20.238 1.00 0.00 H new ATOM 1845 N GLU A 115 -18.023 -2.126 16.573 1.00 0.00 N ATOM 1846 CA GLU A 115 -18.799 -0.894 16.610 1.00 0.00 C ATOM 1847 C GLU A 115 -20.131 -1.071 15.887 1.00 0.00 C ATOM 1848 O GLU A 115 -21.156 -0.566 16.340 1.00 0.00 O ATOM 1849 CB GLU A 115 -18.032 0.282 16.004 1.00 0.00 C ATOM 1850 CG GLU A 115 -18.598 1.635 16.418 1.00 0.00 C ATOM 1851 CD GLU A 115 -18.201 2.761 15.494 1.00 0.00 C ATOM 1852 OE1 GLU A 115 -17.056 3.247 15.583 1.00 0.00 O ATOM 1853 OE2 GLU A 115 -19.049 3.182 14.675 1.00 0.00 O ATOM 0 H GLU A 115 -17.129 -2.052 16.088 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.988 -0.668 17.659 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.987 0.223 16.308 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.053 0.202 14.917 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.686 1.570 16.453 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.260 1.868 17.428 1.00 0.00 H new ATOM 1860 N GLU A 116 -20.113 -1.797 14.764 1.00 0.00 N ATOM 1861 CA GLU A 116 -21.336 -2.058 14.007 1.00 0.00 C ATOM 1862 C GLU A 116 -22.348 -2.730 14.924 1.00 0.00 C ATOM 1863 O GLU A 116 -23.455 -2.221 15.141 1.00 0.00 O ATOM 1864 CB GLU A 116 -21.051 -2.970 12.800 1.00 0.00 C ATOM 1865 CG GLU A 116 -22.238 -3.115 11.853 1.00 0.00 C ATOM 1866 CD GLU A 116 -22.106 -4.288 10.892 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -21.118 -4.348 10.139 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -23.015 -5.147 10.874 1.00 0.00 O ATOM 0 H GLU A 116 -19.271 -2.210 14.364 1.00 0.00 H new ATOM 0 HA GLU A 116 -21.731 -1.112 13.635 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -20.201 -2.571 12.246 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -20.762 -3.957 13.161 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -23.148 -3.237 12.440 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -22.349 -2.195 11.279 1.00 0.00 H new ATOM 1875 N GLU A 117 -21.941 -3.876 15.454 1.00 0.00 N ATOM 1876 CA GLU A 117 -22.743 -4.634 16.405 1.00 0.00 C ATOM 1877 C GLU A 117 -23.167 -3.745 17.587 1.00 0.00 C ATOM 1878 O GLU A 117 -24.285 -3.826 18.053 1.00 0.00 O ATOM 1879 CB GLU A 117 -21.952 -5.847 16.911 1.00 0.00 C ATOM 1880 CG GLU A 117 -22.781 -7.120 17.074 1.00 0.00 C ATOM 1881 CD GLU A 117 -23.948 -6.959 18.026 1.00 0.00 C ATOM 1882 OE1 GLU A 117 -23.721 -6.967 19.255 1.00 0.00 O ATOM 1883 OE2 GLU A 117 -25.092 -6.837 17.548 1.00 0.00 O ATOM 0 H GLU A 117 -21.043 -4.307 15.236 1.00 0.00 H new ATOM 0 HA GLU A 117 -23.643 -4.984 15.898 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -21.135 -6.047 16.218 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -21.501 -5.596 17.871 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -23.157 -7.427 16.098 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -22.136 -7.922 17.434 1.00 0.00 H new ATOM 1890 N ALA A 118 -22.266 -2.880 18.043 1.00 0.00 N ATOM 1891 CA ALA A 118 -22.555 -1.983 19.166 1.00 0.00 C ATOM 1892 C ALA A 118 -23.752 -1.074 18.868 1.00 0.00 C ATOM 1893 O ALA A 118 -24.629 -0.891 19.720 1.00 0.00 O ATOM 1894 CB ALA A 118 -21.329 -1.153 19.521 1.00 0.00 C ATOM 0 H ALA A 118 -21.328 -2.778 17.655 1.00 0.00 H new ATOM 0 HA ALA A 118 -22.816 -2.604 20.023 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -21.565 -0.494 20.357 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -20.510 -1.815 19.801 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -21.033 -0.554 18.660 1.00 0.00 H new ATOM 1900 N HIS A 119 -23.797 -0.519 17.658 1.00 0.00 N ATOM 1901 CA HIS A 119 -24.903 0.359 17.270 1.00 0.00 C ATOM 1902 C HIS A 119 -26.193 -0.442 17.169 1.00 0.00 C ATOM 1903 O HIS A 119 -27.231 -0.048 17.702 1.00 0.00 O ATOM 1904 CB HIS A 119 -24.640 1.046 15.913 1.00 0.00 C ATOM 1905 CG HIS A 119 -23.488 2.010 15.890 1.00 0.00 C ATOM 1906 ND1 HIS A 119 -23.537 3.271 16.455 1.00 0.00 N ATOM 1907 CD2 HIS A 119 -22.257 1.901 15.340 1.00 0.00 C ATOM 1908 CE1 HIS A 119 -22.384 3.888 16.249 1.00 0.00 C ATOM 1909 NE2 HIS A 119 -21.595 3.077 15.575 1.00 0.00 N ATOM 0 H HIS A 119 -23.090 -0.658 16.936 1.00 0.00 H new ATOM 0 HA HIS A 119 -24.991 1.127 18.038 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -24.461 0.275 15.164 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -25.543 1.578 15.614 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -21.867 1.043 14.812 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -22.133 4.886 16.577 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -20.643 3.290 15.276 1.00 0.00 H new