USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 169:sc=-0.00701 (180deg=-0.131) USER MOD Single : A 6 ASN : amide:sc= -4.74! C(o=-4.7!,f=-11!) USER MOD Single : A 9 THR OG1 : rot 106:sc= -0.338 USER MOD Single : A 11 ASN :FLIP amide:sc= -1.55 F(o=-4.6!,f=-1.5) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -152:sc= -0.107 (180deg=-0.659) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.789 F(o=-7.9!,f=-0.79) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.109 F(o=-2.6!,f=-0.11) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0136) USER MOD Single : A 31 THR OG1 : rot -67:sc= -0.737! USER MOD Single : A 32 LYS NZ :NH3+ -154:sc= -0.21 (180deg=-1.13) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.52) USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 0.0497 (180deg=0.0347) USER MOD Single : A 44 THR OG1 : rot 131:sc= 0.914 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.102) USER MOD Single : A 52 SER OG : rot 180:sc= -1.99 USER MOD Single : A 55 SER OG : rot -150:sc= -2.13! USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 148:sc= -0.143 (180deg=-0.942) USER MOD Single : A 63 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.032) USER MOD Single : A 71 GLN :FLIP amide:sc= -3.12! C(o=-4.8!,f=-3.1!) USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= -3.57! (180deg=-3.83!) USER MOD Single : A 80 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.68) USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= -0.327 (180deg=-1.15) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN :FLIP amide:sc= -6.53! C(o=-7.2!,f=-6.5!) USER MOD Single : A 93 GLN : amide:sc=-0.00503 K(o=-0.005,f=-0.97) USER MOD Single : A 95 LYS NZ :NH3+ 151:sc= -0.141 (180deg=-0.89) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0646 USER MOD Single : A 97 THR OG1 : rot 19:sc= 0.0616 USER MOD Single : A 102 ASN : amide:sc= -0.628! K(o=-0.63!,f=-1.3) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 134:sc= -0.161 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.695 -29.714 -0.541 1.00 0.00 N ATOM 2 CA ALA A 1 -3.853 -29.080 0.512 1.00 0.00 C ATOM 3 C ALA A 1 -4.694 -28.084 1.307 1.00 0.00 C ATOM 4 O ALA A 1 -4.219 -27.045 1.719 1.00 0.00 O ATOM 5 CB ALA A 1 -2.680 -28.347 -0.141 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.088 -30.247 -1.196 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.377 -30.361 -0.097 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.208 -28.977 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.472 -29.851 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.065 -27.884 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.077 -29.057 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.060 -27.577 -0.812 1.00 0.00 H new ATOM 13 N ASP A 2 -5.944 -28.391 1.529 1.00 0.00 N ATOM 14 CA ASP A 2 -6.814 -27.460 2.302 1.00 0.00 C ATOM 15 C ASP A 2 -6.593 -27.702 3.793 1.00 0.00 C ATOM 16 O ASP A 2 -7.389 -27.317 4.628 1.00 0.00 O ATOM 17 CB ASP A 2 -8.279 -27.718 1.947 1.00 0.00 C ATOM 18 CG ASP A 2 -8.615 -27.040 0.615 1.00 0.00 C ATOM 19 OD1 ASP A 2 -7.695 -26.775 -0.141 1.00 0.00 O ATOM 20 OD2 ASP A 2 -9.786 -26.798 0.374 1.00 0.00 O ATOM 0 H ASP A 2 -6.399 -29.246 1.209 1.00 0.00 H new ATOM 0 HA ASP A 2 -6.565 -26.427 2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.463 -28.790 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.927 -27.334 2.735 1.00 0.00 H new ATOM 25 N LEU A 3 -5.517 -28.344 4.122 1.00 0.00 N ATOM 26 CA LEU A 3 -5.205 -28.636 5.552 1.00 0.00 C ATOM 27 C LEU A 3 -3.683 -28.741 5.747 1.00 0.00 C ATOM 28 O LEU A 3 -3.174 -28.529 6.829 1.00 0.00 O ATOM 29 CB LEU A 3 -5.898 -29.943 5.988 1.00 0.00 C ATOM 30 CG LEU A 3 -5.413 -31.157 5.154 1.00 0.00 C ATOM 31 CD1 LEU A 3 -5.633 -32.446 5.955 1.00 0.00 C ATOM 32 CD2 LEU A 3 -6.200 -31.265 3.839 1.00 0.00 C ATOM 0 H LEU A 3 -4.825 -28.687 3.455 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.579 -27.822 6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.700 -30.125 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.977 -29.836 5.880 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.355 -31.017 4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.293 -33.300 5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.069 -32.396 6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.694 -32.559 6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.843 -32.124 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.260 -31.391 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.056 -30.357 3.253 1.00 0.00 H new ATOM 44 N GLU A 4 -2.955 -29.057 4.705 1.00 0.00 N ATOM 45 CA GLU A 4 -1.470 -29.163 4.823 1.00 0.00 C ATOM 46 C GLU A 4 -1.093 -30.181 5.906 1.00 0.00 C ATOM 47 O GLU A 4 -1.942 -30.794 6.522 1.00 0.00 O ATOM 48 CB GLU A 4 -0.894 -27.792 5.183 1.00 0.00 C ATOM 49 CG GLU A 4 -1.512 -26.727 4.273 1.00 0.00 C ATOM 50 CD GLU A 4 -0.879 -25.369 4.573 1.00 0.00 C ATOM 51 OE1 GLU A 4 -0.846 -25.000 5.735 1.00 0.00 O ATOM 52 OE2 GLU A 4 -0.443 -24.718 3.638 1.00 0.00 O ATOM 0 H GLU A 4 -3.328 -29.247 3.775 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.059 -29.498 3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.103 -27.560 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.190 -27.799 5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.353 -26.991 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.590 -26.680 4.430 1.00 0.00 H new ATOM 59 N ASP A 5 0.183 -30.371 6.134 1.00 0.00 N ATOM 60 CA ASP A 5 0.633 -31.350 7.163 1.00 0.00 C ATOM 61 C ASP A 5 0.521 -30.728 8.555 1.00 0.00 C ATOM 62 O ASP A 5 1.514 -30.403 9.175 1.00 0.00 O ATOM 63 CB ASP A 5 2.097 -31.715 6.905 1.00 0.00 C ATOM 64 CG ASP A 5 2.931 -30.433 6.835 1.00 0.00 C ATOM 65 OD1 ASP A 5 2.857 -29.757 5.822 1.00 0.00 O ATOM 66 OD2 ASP A 5 3.625 -30.145 7.796 1.00 0.00 O ATOM 0 H ASP A 5 0.935 -29.885 5.646 1.00 0.00 H new ATOM 0 HA ASP A 5 0.006 -32.240 7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.468 -32.362 7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.186 -32.272 5.973 1.00 0.00 H new ATOM 71 N ASN A 6 -0.675 -30.573 9.061 1.00 0.00 N ATOM 72 CA ASN A 6 -0.833 -29.985 10.426 1.00 0.00 C ATOM 73 C ASN A 6 -0.806 -31.113 11.458 1.00 0.00 C ATOM 74 O ASN A 6 -1.544 -32.071 11.355 1.00 0.00 O ATOM 75 CB ASN A 6 -2.173 -29.249 10.533 1.00 0.00 C ATOM 76 CG ASN A 6 -2.360 -28.315 9.336 1.00 0.00 C ATOM 77 OD1 ASN A 6 -1.508 -28.225 8.478 1.00 0.00 O ATOM 78 ND2 ASN A 6 -3.451 -27.601 9.254 1.00 0.00 N ATOM 0 H ASN A 6 -1.545 -30.826 8.592 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.021 -29.281 10.608 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.990 -29.970 10.572 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.209 -28.676 11.460 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.587 -26.966 8.467 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.167 -27.678 9.977 1.00 0.00 H new ATOM 85 N ASP A 7 0.041 -31.015 12.450 1.00 0.00 N ATOM 86 CA ASP A 7 0.115 -32.090 13.484 1.00 0.00 C ATOM 87 C ASP A 7 0.432 -31.469 14.850 1.00 0.00 C ATOM 88 O ASP A 7 1.189 -32.012 15.628 1.00 0.00 O ATOM 89 CB ASP A 7 1.213 -33.086 13.104 1.00 0.00 C ATOM 90 CG ASP A 7 1.184 -34.275 14.061 1.00 0.00 C ATOM 91 OD1 ASP A 7 0.429 -34.225 15.018 1.00 0.00 O ATOM 92 OD2 ASP A 7 1.916 -35.221 13.818 1.00 0.00 O ATOM 0 H ASP A 7 0.685 -30.236 12.589 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.842 -32.609 13.539 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.068 -33.428 12.079 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.188 -32.600 13.143 1.00 0.00 H new ATOM 97 N GLU A 8 -0.148 -30.339 15.146 1.00 0.00 N ATOM 98 CA GLU A 8 0.109 -29.688 16.461 1.00 0.00 C ATOM 99 C GLU A 8 1.614 -29.604 16.715 1.00 0.00 C ATOM 100 O GLU A 8 2.061 -29.624 17.846 1.00 0.00 O ATOM 101 CB GLU A 8 -0.547 -30.510 17.570 1.00 0.00 C ATOM 102 CG GLU A 8 -2.057 -30.582 17.332 1.00 0.00 C ATOM 103 CD GLU A 8 -2.662 -29.182 17.454 1.00 0.00 C ATOM 104 OE1 GLU A 8 -2.985 -28.796 18.562 1.00 0.00 O ATOM 105 OE2 GLU A 8 -2.792 -28.525 16.433 1.00 0.00 O ATOM 0 H GLU A 8 -0.790 -29.837 14.533 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.310 -28.682 16.451 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.124 -31.514 17.591 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.343 -30.058 18.541 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.260 -30.992 16.343 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.518 -31.253 18.057 1.00 0.00 H new ATOM 112 N THR A 9 2.400 -29.507 15.678 1.00 0.00 N ATOM 113 CA THR A 9 3.870 -29.418 15.854 1.00 0.00 C ATOM 114 C THR A 9 4.255 -27.943 16.021 1.00 0.00 C ATOM 115 O THR A 9 5.378 -27.545 15.779 1.00 0.00 O ATOM 116 CB THR A 9 4.540 -30.009 14.602 1.00 0.00 C ATOM 117 OG1 THR A 9 3.738 -31.074 14.105 1.00 0.00 O ATOM 118 CG2 THR A 9 5.932 -30.541 14.941 1.00 0.00 C ATOM 0 H THR A 9 2.080 -29.486 14.710 1.00 0.00 H new ATOM 0 HA THR A 9 4.196 -29.971 16.735 1.00 0.00 H new ATOM 0 HB THR A 9 4.637 -29.227 13.849 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.273 -30.782 13.293 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.392 -30.956 14.044 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.549 -29.728 15.322 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.849 -31.320 15.699 1.00 0.00 H new ATOM 126 N GLY A 10 3.316 -27.137 16.440 1.00 0.00 N ATOM 127 CA GLY A 10 3.595 -25.682 16.630 1.00 0.00 C ATOM 128 C GLY A 10 3.953 -25.052 15.282 1.00 0.00 C ATOM 129 O GLY A 10 5.043 -24.548 15.088 1.00 0.00 O ATOM 0 H GLY A 10 2.363 -27.425 16.660 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.723 -25.186 17.055 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.414 -25.547 17.336 1.00 0.00 H new ATOM 133 N ASN A 11 3.042 -25.086 14.347 1.00 0.00 N ATOM 134 CA ASN A 11 3.312 -24.505 13.001 1.00 0.00 C ATOM 135 C ASN A 11 2.980 -23.009 13.002 1.00 0.00 C ATOM 136 O ASN A 11 3.240 -22.310 12.042 1.00 0.00 O ATOM 137 CB ASN A 11 2.431 -25.217 11.974 1.00 0.00 C ATOM 138 CG ASN A 11 0.965 -25.012 12.348 1.00 0.00 C ATOM 139 OD1 ASN A 11 0.458 -23.809 12.323 1.00 0.00 O flip ATOM 140 ND2 ASN A 11 0.275 -25.954 12.680 1.00 0.00 N flip ATOM 0 H ASN A 11 2.114 -25.495 14.460 1.00 0.00 H new ATOM 0 HA ASN A 11 4.365 -24.636 12.750 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.623 -24.823 10.976 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.668 -26.281 11.948 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.671 -26.894 12.700 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.700 -25.805 12.939 1.00 0.00 H new ATOM 147 N ASP A 12 2.405 -22.517 14.070 1.00 0.00 N ATOM 148 CA ASP A 12 2.047 -21.067 14.151 1.00 0.00 C ATOM 149 C ASP A 12 2.381 -20.540 15.550 1.00 0.00 C ATOM 150 O ASP A 12 1.996 -19.450 15.926 1.00 0.00 O ATOM 151 CB ASP A 12 0.549 -20.919 13.898 1.00 0.00 C ATOM 152 CG ASP A 12 0.209 -19.454 13.612 1.00 0.00 C ATOM 153 OD1 ASP A 12 0.606 -18.967 12.566 1.00 0.00 O ATOM 154 OD2 ASP A 12 -0.449 -18.843 14.440 1.00 0.00 O ATOM 0 H ASP A 12 2.166 -23.063 14.898 1.00 0.00 H new ATOM 0 HA ASP A 12 2.609 -20.501 13.408 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.251 -21.542 13.054 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.011 -21.268 14.765 1.00 0.00 H new ATOM 159 N ASN A 13 3.093 -21.315 16.324 1.00 0.00 N ATOM 160 CA ASN A 13 3.457 -20.878 17.702 1.00 0.00 C ATOM 161 C ASN A 13 4.772 -20.091 17.650 1.00 0.00 C ATOM 162 O ASN A 13 5.421 -19.876 18.652 1.00 0.00 O ATOM 163 CB ASN A 13 3.622 -22.119 18.596 1.00 0.00 C ATOM 164 CG ASN A 13 2.266 -22.523 19.187 1.00 0.00 C ATOM 165 OD1 ASN A 13 1.640 -23.459 18.729 1.00 0.00 O ATOM 166 ND2 ASN A 13 1.784 -21.853 20.193 1.00 0.00 N ATOM 0 H ASN A 13 3.440 -22.237 16.059 1.00 0.00 H new ATOM 0 HA ASN A 13 2.674 -20.240 18.112 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.035 -22.944 18.015 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.329 -21.908 19.398 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.883 -22.114 20.595 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.307 -21.067 20.580 1.00 0.00 H new ATOM 173 N GLY A 14 5.167 -19.674 16.483 1.00 0.00 N ATOM 174 CA GLY A 14 6.440 -18.906 16.344 1.00 0.00 C ATOM 175 C GLY A 14 6.180 -17.414 16.574 1.00 0.00 C ATOM 176 O GLY A 14 7.006 -16.581 16.259 1.00 0.00 O ATOM 0 H GLY A 14 4.662 -19.831 15.611 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.174 -19.270 17.062 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.861 -19.061 15.351 1.00 0.00 H new ATOM 180 N LYS A 15 5.041 -17.070 17.115 1.00 0.00 N ATOM 181 CA LYS A 15 4.739 -15.630 17.357 1.00 0.00 C ATOM 182 C LYS A 15 4.960 -14.847 16.054 1.00 0.00 C ATOM 183 O LYS A 15 5.640 -13.840 16.033 1.00 0.00 O ATOM 184 CB LYS A 15 5.674 -15.080 18.454 1.00 0.00 C ATOM 185 CG LYS A 15 5.222 -15.541 19.867 1.00 0.00 C ATOM 186 CD LYS A 15 5.973 -16.820 20.284 1.00 0.00 C ATOM 187 CE LYS A 15 5.217 -17.524 21.420 1.00 0.00 C ATOM 188 NZ LYS A 15 6.067 -18.600 22.005 1.00 0.00 N ATOM 0 H LYS A 15 4.310 -17.722 17.399 1.00 0.00 H new ATOM 0 HA LYS A 15 3.704 -15.522 17.682 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.694 -15.418 18.268 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.686 -13.991 18.411 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.411 -14.749 20.592 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.148 -15.726 19.869 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.069 -17.490 19.430 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.983 -16.570 20.608 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.947 -16.802 22.191 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.287 -17.949 21.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.549 -19.072 22.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.303 -19.295 21.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.943 -18.184 22.382 1.00 0.00 H new ATOM 202 N GLY A 16 4.392 -15.302 14.965 1.00 0.00 N ATOM 203 CA GLY A 16 4.573 -14.590 13.661 1.00 0.00 C ATOM 204 C GLY A 16 3.473 -13.544 13.468 1.00 0.00 C ATOM 205 O GLY A 16 3.744 -12.376 13.269 1.00 0.00 O ATOM 0 H GLY A 16 3.809 -16.138 14.922 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.550 -14.108 13.635 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.549 -15.308 12.841 1.00 0.00 H new ATOM 209 N GLY A 17 2.235 -13.951 13.501 1.00 0.00 N ATOM 210 CA GLY A 17 1.130 -12.971 13.296 1.00 0.00 C ATOM 211 C GLY A 17 1.004 -12.687 11.797 1.00 0.00 C ATOM 212 O GLY A 17 -0.010 -12.213 11.323 1.00 0.00 O ATOM 0 H GLY A 17 1.940 -14.914 13.660 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.193 -13.369 13.686 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.336 -12.049 13.840 1.00 0.00 H new ATOM 216 N GLU A 18 2.029 -12.999 11.044 1.00 0.00 N ATOM 217 CA GLU A 18 1.986 -12.781 9.567 1.00 0.00 C ATOM 218 C GLU A 18 2.856 -13.847 8.891 1.00 0.00 C ATOM 219 O GLU A 18 2.853 -13.993 7.688 1.00 0.00 O ATOM 220 CB GLU A 18 2.488 -11.368 9.213 1.00 0.00 C ATOM 221 CG GLU A 18 4.012 -11.264 9.376 1.00 0.00 C ATOM 222 CD GLU A 18 4.403 -11.676 10.794 1.00 0.00 C ATOM 223 OE1 GLU A 18 4.637 -12.853 11.005 1.00 0.00 O ATOM 224 OE2 GLU A 18 4.454 -10.806 11.650 1.00 0.00 O ATOM 0 H GLU A 18 2.900 -13.399 11.393 1.00 0.00 H new ATOM 0 HA GLU A 18 0.959 -12.865 9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.212 -11.128 8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.000 -10.634 9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.511 -11.905 8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.341 -10.244 9.179 1.00 0.00 H new ATOM 231 N LYS A 19 3.587 -14.595 9.683 1.00 0.00 N ATOM 232 CA LYS A 19 4.471 -15.686 9.155 1.00 0.00 C ATOM 233 C LYS A 19 5.085 -15.320 7.802 1.00 0.00 C ATOM 234 O LYS A 19 5.186 -14.165 7.435 1.00 0.00 O ATOM 235 CB LYS A 19 3.675 -17.000 9.035 1.00 0.00 C ATOM 236 CG LYS A 19 2.657 -16.950 7.875 1.00 0.00 C ATOM 237 CD LYS A 19 1.856 -18.267 7.840 1.00 0.00 C ATOM 238 CE LYS A 19 0.508 -18.040 7.139 1.00 0.00 C ATOM 239 NZ LYS A 19 -0.355 -17.174 7.995 1.00 0.00 N ATOM 0 H LYS A 19 3.609 -14.493 10.698 1.00 0.00 H new ATOM 0 HA LYS A 19 5.289 -15.818 9.863 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.364 -17.830 8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.151 -17.194 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.982 -16.104 8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.175 -16.801 6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.424 -19.035 7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.692 -18.630 8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.665 -17.570 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.016 -18.995 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.355 -17.388 7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.144 -17.356 8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.168 -16.174 7.777 1.00 0.00 H new ATOM 253 N ALA A 20 5.496 -16.313 7.061 1.00 0.00 N ATOM 254 CA ALA A 20 6.105 -16.077 5.726 1.00 0.00 C ATOM 255 C ALA A 20 5.758 -17.273 4.845 1.00 0.00 C ATOM 256 O ALA A 20 6.620 -17.974 4.353 1.00 0.00 O ATOM 257 CB ALA A 20 7.626 -15.960 5.869 1.00 0.00 C ATOM 0 H ALA A 20 5.433 -17.294 7.332 1.00 0.00 H new ATOM 0 HA ALA A 20 5.727 -15.155 5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.071 -15.787 4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.866 -15.127 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.024 -16.883 6.290 1.00 0.00 H new ATOM 263 N ASP A 21 4.489 -17.507 4.652 1.00 0.00 N ATOM 264 CA ASP A 21 4.054 -18.653 3.814 1.00 0.00 C ATOM 265 C ASP A 21 4.387 -18.329 2.370 1.00 0.00 C ATOM 266 O ASP A 21 4.031 -19.053 1.460 1.00 0.00 O ATOM 267 CB ASP A 21 2.542 -18.839 3.957 1.00 0.00 C ATOM 268 CG ASP A 21 2.118 -20.177 3.346 1.00 0.00 C ATOM 269 OD1 ASP A 21 2.663 -21.192 3.749 1.00 0.00 O ATOM 270 OD2 ASP A 21 1.260 -20.162 2.478 1.00 0.00 O ATOM 0 H ASP A 21 3.731 -16.947 5.043 1.00 0.00 H new ATOM 0 HA ASP A 21 4.558 -19.568 4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.261 -18.806 5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.018 -18.021 3.461 1.00 0.00 H new ATOM 275 N ASN A 22 5.069 -17.234 2.163 1.00 0.00 N ATOM 276 CA ASN A 22 5.441 -16.809 0.787 1.00 0.00 C ATOM 277 C ASN A 22 4.151 -16.513 0.016 1.00 0.00 C ATOM 278 O ASN A 22 3.901 -15.399 -0.390 1.00 0.00 O ATOM 279 CB ASN A 22 6.268 -17.924 0.090 1.00 0.00 C ATOM 280 CG ASN A 22 7.746 -17.535 0.025 1.00 0.00 C ATOM 281 OD1 ASN A 22 8.164 -16.798 -0.961 1.00 0.00 O flip ATOM 282 ND2 ASN A 22 8.522 -17.903 0.882 1.00 0.00 N flip ATOM 0 H ASN A 22 5.388 -16.608 2.903 1.00 0.00 H new ATOM 0 HA ASN A 22 6.060 -15.913 0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.156 -18.862 0.635 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.886 -18.093 -0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.192 -18.481 1.655 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.505 -17.634 0.830 1.00 0.00 H new ATOM 289 N ALA A 23 3.327 -17.501 -0.167 1.00 0.00 N ATOM 290 CA ALA A 23 2.047 -17.294 -0.899 1.00 0.00 C ATOM 291 C ALA A 23 1.173 -16.312 -0.117 1.00 0.00 C ATOM 292 O ALA A 23 0.501 -15.488 -0.694 1.00 0.00 O ATOM 293 CB ALA A 23 1.321 -18.637 -1.026 1.00 0.00 C ATOM 0 H ALA A 23 3.485 -18.454 0.162 1.00 0.00 H new ATOM 0 HA ALA A 23 2.247 -16.891 -1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.382 -18.494 -1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.948 -19.339 -1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.115 -19.035 -0.032 1.00 0.00 H new ATOM 299 N ALA A 24 1.190 -16.357 1.183 1.00 0.00 N ATOM 300 CA ALA A 24 0.371 -15.374 1.940 1.00 0.00 C ATOM 301 C ALA A 24 1.028 -14.003 1.758 1.00 0.00 C ATOM 302 O ALA A 24 0.375 -12.997 1.572 1.00 0.00 O ATOM 303 CB ALA A 24 0.341 -15.743 3.427 1.00 0.00 C ATOM 0 H ALA A 24 1.725 -17.018 1.746 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.656 -15.367 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.262 -15.015 3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.093 -16.736 3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.357 -15.741 3.823 1.00 0.00 H new ATOM 309 N GLN A 25 2.331 -13.981 1.814 1.00 0.00 N ATOM 310 CA GLN A 25 3.094 -12.711 1.650 1.00 0.00 C ATOM 311 C GLN A 25 2.855 -12.105 0.250 1.00 0.00 C ATOM 312 O GLN A 25 3.175 -10.960 0.007 1.00 0.00 O ATOM 313 CB GLN A 25 4.599 -13.024 1.845 1.00 0.00 C ATOM 314 CG GLN A 25 5.036 -12.681 3.277 1.00 0.00 C ATOM 315 CD GLN A 25 5.326 -11.181 3.395 1.00 0.00 C ATOM 316 OE1 GLN A 25 4.563 -10.314 2.782 1.00 0.00 O flip ATOM 317 NE2 GLN A 25 6.267 -10.789 4.060 1.00 0.00 N flip ATOM 0 H GLN A 25 2.910 -14.806 1.970 1.00 0.00 H new ATOM 0 HA GLN A 25 2.759 -11.983 2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.787 -14.079 1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.191 -12.453 1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.254 -12.965 3.982 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.926 -13.253 3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.866 -11.460 4.541 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.456 -9.790 4.136 1.00 0.00 H new ATOM 326 N VAL A 26 2.321 -12.863 -0.671 1.00 0.00 N ATOM 327 CA VAL A 26 2.102 -12.321 -2.050 1.00 0.00 C ATOM 328 C VAL A 26 1.082 -11.183 -2.016 1.00 0.00 C ATOM 329 O VAL A 26 1.435 -10.022 -2.009 1.00 0.00 O ATOM 330 CB VAL A 26 1.598 -13.453 -2.967 1.00 0.00 C ATOM 331 CG1 VAL A 26 0.926 -12.892 -4.242 1.00 0.00 C ATOM 332 CG2 VAL A 26 2.779 -14.337 -3.369 1.00 0.00 C ATOM 0 H VAL A 26 2.027 -13.830 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 26 3.043 -11.931 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 26 0.856 -14.032 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.583 -13.717 -4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.075 -12.271 -3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.646 -12.292 -4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.428 -15.140 -4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.518 -13.737 -3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.234 -14.765 -2.476 1.00 0.00 H new ATOM 342 N LYS A 27 -0.177 -11.508 -2.035 1.00 0.00 N ATOM 343 CA LYS A 27 -1.218 -10.446 -2.049 1.00 0.00 C ATOM 344 C LYS A 27 -1.226 -9.662 -0.736 1.00 0.00 C ATOM 345 O LYS A 27 -1.525 -8.487 -0.723 1.00 0.00 O ATOM 346 CB LYS A 27 -2.588 -11.087 -2.273 1.00 0.00 C ATOM 347 CG LYS A 27 -3.013 -11.899 -1.035 1.00 0.00 C ATOM 348 CD LYS A 27 -4.031 -12.974 -1.446 1.00 0.00 C ATOM 349 CE LYS A 27 -4.580 -13.677 -0.204 1.00 0.00 C ATOM 350 NZ LYS A 27 -5.620 -12.822 0.438 1.00 0.00 N ATOM 0 H LYS A 27 -0.532 -12.464 -2.041 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.993 -9.751 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.328 -10.314 -2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.553 -11.737 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.141 -12.366 -0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.450 -11.238 -0.287 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.847 -12.518 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.558 -13.701 -2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.007 -14.641 -0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.772 -13.875 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.075 -13.350 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.176 -11.963 0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.336 -12.557 -0.268 1.00 0.00 H new ATOM 364 N ASP A 28 -0.910 -10.285 0.367 1.00 0.00 N ATOM 365 CA ASP A 28 -0.928 -9.540 1.660 1.00 0.00 C ATOM 366 C ASP A 28 -0.018 -8.317 1.561 1.00 0.00 C ATOM 367 O ASP A 28 -0.359 -7.245 2.024 1.00 0.00 O ATOM 368 CB ASP A 28 -0.432 -10.449 2.786 1.00 0.00 C ATOM 369 CG ASP A 28 -0.444 -9.673 4.106 1.00 0.00 C ATOM 370 OD1 ASP A 28 -1.248 -8.761 4.227 1.00 0.00 O ATOM 371 OD2 ASP A 28 0.347 -10.003 4.972 1.00 0.00 O ATOM 0 H ASP A 28 -0.643 -11.267 0.430 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.948 -9.220 1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.068 -11.331 2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.576 -10.801 2.567 1.00 0.00 H new ATOM 376 N ALA A 29 1.127 -8.457 0.954 1.00 0.00 N ATOM 377 CA ALA A 29 2.037 -7.294 0.817 1.00 0.00 C ATOM 378 C ALA A 29 1.404 -6.282 -0.118 1.00 0.00 C ATOM 379 O ALA A 29 1.224 -5.131 0.228 1.00 0.00 O ATOM 380 CB ALA A 29 3.383 -7.758 0.262 1.00 0.00 C ATOM 0 H ALA A 29 1.469 -9.328 0.548 1.00 0.00 H new ATOM 0 HA ALA A 29 2.202 -6.833 1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.050 -6.902 0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.826 -8.486 0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.235 -8.218 -0.715 1.00 0.00 H new ATOM 386 N LEU A 30 1.063 -6.695 -1.304 1.00 0.00 N ATOM 387 CA LEU A 30 0.441 -5.748 -2.250 1.00 0.00 C ATOM 388 C LEU A 30 -0.862 -5.193 -1.659 1.00 0.00 C ATOM 389 O LEU A 30 -1.099 -4.002 -1.675 1.00 0.00 O ATOM 390 CB LEU A 30 0.166 -6.453 -3.579 1.00 0.00 C ATOM 391 CG LEU A 30 1.371 -7.318 -3.988 1.00 0.00 C ATOM 392 CD1 LEU A 30 1.043 -8.048 -5.286 1.00 0.00 C ATOM 393 CD2 LEU A 30 2.606 -6.438 -4.214 1.00 0.00 C ATOM 0 H LEU A 30 1.190 -7.645 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 30 1.123 -4.916 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.724 -7.077 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.039 -5.714 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 30 1.580 -8.032 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.893 -8.663 -5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.170 -8.683 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.832 -7.320 -6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.451 -7.064 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.400 -5.718 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.847 -5.906 -3.294 1.00 0.00 H new ATOM 405 N THR A 31 -1.714 -6.039 -1.141 1.00 0.00 N ATOM 406 CA THR A 31 -3.000 -5.540 -0.559 1.00 0.00 C ATOM 407 C THR A 31 -2.731 -4.590 0.614 1.00 0.00 C ATOM 408 O THR A 31 -3.427 -3.611 0.799 1.00 0.00 O ATOM 409 CB THR A 31 -3.839 -6.718 -0.058 1.00 0.00 C ATOM 410 OG1 THR A 31 -3.032 -7.553 0.748 1.00 0.00 O ATOM 411 CG2 THR A 31 -4.394 -7.512 -1.243 1.00 0.00 C ATOM 0 H THR A 31 -1.578 -7.049 -1.095 1.00 0.00 H new ATOM 0 HA THR A 31 -3.539 -5.004 -1.340 1.00 0.00 H new ATOM 0 HB THR A 31 -4.676 -6.342 0.530 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.347 -7.981 0.193 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.989 -8.348 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.020 -6.863 -1.855 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.569 -7.892 -1.845 1.00 0.00 H new ATOM 419 N LYS A 32 -1.744 -4.871 1.421 1.00 0.00 N ATOM 420 CA LYS A 32 -1.468 -3.982 2.584 1.00 0.00 C ATOM 421 C LYS A 32 -1.174 -2.574 2.079 1.00 0.00 C ATOM 422 O LYS A 32 -1.789 -1.613 2.497 1.00 0.00 O ATOM 423 CB LYS A 32 -0.261 -4.508 3.380 1.00 0.00 C ATOM 424 CG LYS A 32 0.094 -3.529 4.536 1.00 0.00 C ATOM 425 CD LYS A 32 1.367 -2.737 4.200 1.00 0.00 C ATOM 426 CE LYS A 32 1.565 -1.618 5.226 1.00 0.00 C ATOM 427 NZ LYS A 32 0.372 -0.726 5.228 1.00 0.00 N ATOM 0 H LYS A 32 -1.121 -5.673 1.326 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.340 -3.965 3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.487 -5.494 3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.597 -4.625 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.735 -2.842 4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.239 -4.087 5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.231 -3.401 4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.290 -2.315 3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.716 -2.043 6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.460 -1.044 4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.648 0.223 5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.016 -0.663 4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.350 -1.114 5.868 1.00 0.00 H new ATOM 441 N MET A 33 -0.243 -2.438 1.177 1.00 0.00 N ATOM 442 CA MET A 33 0.074 -1.080 0.654 1.00 0.00 C ATOM 443 C MET A 33 -1.144 -0.503 -0.076 1.00 0.00 C ATOM 444 O MET A 33 -1.350 0.697 -0.093 1.00 0.00 O ATOM 445 CB MET A 33 1.271 -1.155 -0.301 1.00 0.00 C ATOM 446 CG MET A 33 2.438 -1.857 0.400 1.00 0.00 C ATOM 447 SD MET A 33 3.978 -1.492 -0.480 1.00 0.00 S ATOM 448 CE MET A 33 4.001 -2.965 -1.533 1.00 0.00 C ATOM 0 H MET A 33 0.308 -3.200 0.782 1.00 0.00 H new ATOM 0 HA MET A 33 0.327 -0.427 1.490 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.996 -1.698 -1.205 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.568 -0.152 -0.609 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.510 -1.522 1.435 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.267 -2.933 0.425 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.885 -2.943 -2.170 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.026 -3.858 -0.909 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.106 -2.982 -2.155 1.00 0.00 H new ATOM 458 N ARG A 34 -1.951 -1.330 -0.683 1.00 0.00 N ATOM 459 CA ARG A 34 -3.145 -0.793 -1.405 1.00 0.00 C ATOM 460 C ARG A 34 -4.048 -0.031 -0.435 1.00 0.00 C ATOM 461 O ARG A 34 -4.361 1.123 -0.639 1.00 0.00 O ATOM 462 CB ARG A 34 -3.943 -1.935 -2.043 1.00 0.00 C ATOM 463 CG ARG A 34 -5.267 -1.389 -2.601 1.00 0.00 C ATOM 464 CD ARG A 34 -5.808 -2.329 -3.683 1.00 0.00 C ATOM 465 NE ARG A 34 -7.109 -1.808 -4.190 1.00 0.00 N ATOM 466 CZ ARG A 34 -7.768 -2.473 -5.102 1.00 0.00 C ATOM 467 NH1 ARG A 34 -7.270 -3.579 -5.583 1.00 0.00 N ATOM 468 NH2 ARG A 34 -8.918 -2.034 -5.539 1.00 0.00 N ATOM 0 H ARG A 34 -1.840 -2.343 -0.712 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.796 -0.118 -2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.362 -2.396 -2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.141 -2.711 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.996 -1.289 -1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.113 -0.393 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.092 -2.409 -4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.940 -3.332 -3.276 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.485 -0.933 -3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.370 -3.921 -5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.781 -4.101 -6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.307 -1.167 -5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.427 -2.558 -6.251 1.00 0.00 H new ATOM 482 N ALA A 35 -4.491 -0.682 0.603 1.00 0.00 N ATOM 483 CA ALA A 35 -5.401 -0.005 1.570 1.00 0.00 C ATOM 484 C ALA A 35 -4.713 1.234 2.136 1.00 0.00 C ATOM 485 O ALA A 35 -5.355 2.208 2.470 1.00 0.00 O ATOM 486 CB ALA A 35 -5.735 -0.963 2.716 1.00 0.00 C ATOM 0 H ALA A 35 -4.264 -1.651 0.824 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.318 0.287 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.400 -0.467 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.226 -1.851 2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.817 -1.255 3.226 1.00 0.00 H new ATOM 492 N ALA A 36 -3.415 1.214 2.239 1.00 0.00 N ATOM 493 CA ALA A 36 -2.701 2.405 2.780 1.00 0.00 C ATOM 494 C ALA A 36 -2.992 3.613 1.892 1.00 0.00 C ATOM 495 O ALA A 36 -3.285 4.692 2.370 1.00 0.00 O ATOM 496 CB ALA A 36 -1.198 2.140 2.794 1.00 0.00 C ATOM 0 H ALA A 36 -2.819 0.430 1.974 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.043 2.603 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.678 3.013 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.987 1.275 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.854 1.943 1.779 1.00 0.00 H new ATOM 502 N ALA A 37 -2.913 3.442 0.601 1.00 0.00 N ATOM 503 CA ALA A 37 -3.182 4.583 -0.317 1.00 0.00 C ATOM 504 C ALA A 37 -4.630 5.047 -0.139 1.00 0.00 C ATOM 505 O ALA A 37 -4.914 6.230 -0.122 1.00 0.00 O ATOM 506 CB ALA A 37 -2.954 4.139 -1.764 1.00 0.00 C ATOM 0 H ALA A 37 -2.674 2.562 0.143 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.508 5.407 -0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.151 4.974 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.922 3.811 -1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.627 3.315 -2.002 1.00 0.00 H new ATOM 512 N LEU A 38 -5.549 4.131 0.008 1.00 0.00 N ATOM 513 CA LEU A 38 -6.966 4.539 0.204 1.00 0.00 C ATOM 514 C LEU A 38 -7.094 5.233 1.556 1.00 0.00 C ATOM 515 O LEU A 38 -7.845 6.175 1.722 1.00 0.00 O ATOM 516 CB LEU A 38 -7.877 3.313 0.179 1.00 0.00 C ATOM 517 CG LEU A 38 -7.536 2.440 -1.031 1.00 0.00 C ATOM 518 CD1 LEU A 38 -8.411 1.188 -1.009 1.00 0.00 C ATOM 519 CD2 LEU A 38 -7.789 3.224 -2.324 1.00 0.00 C ATOM 0 H LEU A 38 -5.380 3.125 0.001 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.262 5.215 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.756 2.740 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.920 3.625 0.132 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.485 2.153 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.172 0.562 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.225 0.630 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.461 1.477 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.545 2.598 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.838 3.515 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.164 4.117 -2.336 1.00 0.00 H new ATOM 531 N ASP A 39 -6.357 4.771 2.530 1.00 0.00 N ATOM 532 CA ASP A 39 -6.422 5.396 3.876 1.00 0.00 C ATOM 533 C ASP A 39 -6.007 6.865 3.759 1.00 0.00 C ATOM 534 O ASP A 39 -6.758 7.754 4.099 1.00 0.00 O ATOM 535 CB ASP A 39 -5.480 4.632 4.828 1.00 0.00 C ATOM 536 CG ASP A 39 -6.005 4.694 6.268 1.00 0.00 C ATOM 537 OD1 ASP A 39 -7.213 4.668 6.445 1.00 0.00 O ATOM 538 OD2 ASP A 39 -5.188 4.757 7.172 1.00 0.00 O ATOM 0 H ASP A 39 -5.712 3.985 2.448 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.435 5.349 4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.396 3.593 4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.479 5.061 4.781 1.00 0.00 H new ATOM 543 N ALA A 40 -4.823 7.132 3.276 1.00 0.00 N ATOM 544 CA ALA A 40 -4.398 8.553 3.141 1.00 0.00 C ATOM 545 C ALA A 40 -5.309 9.275 2.145 1.00 0.00 C ATOM 546 O ALA A 40 -5.344 10.487 2.092 1.00 0.00 O ATOM 547 CB ALA A 40 -2.953 8.624 2.631 1.00 0.00 C ATOM 0 H ALA A 40 -4.141 6.437 2.973 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.465 9.031 4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.652 9.667 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.293 8.119 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.886 8.137 1.658 1.00 0.00 H new ATOM 553 N GLN A 41 -6.037 8.550 1.339 1.00 0.00 N ATOM 554 CA GLN A 41 -6.921 9.220 0.345 1.00 0.00 C ATOM 555 C GLN A 41 -8.183 9.760 1.013 1.00 0.00 C ATOM 556 O GLN A 41 -9.227 9.138 0.973 1.00 0.00 O ATOM 557 CB GLN A 41 -7.320 8.233 -0.755 1.00 0.00 C ATOM 558 CG GLN A 41 -8.255 8.918 -1.791 1.00 0.00 C ATOM 559 CD GLN A 41 -9.655 8.288 -1.750 1.00 0.00 C ATOM 560 OE1 GLN A 41 -10.637 8.972 -1.536 1.00 0.00 O ATOM 561 NE2 GLN A 41 -9.783 7.003 -1.940 1.00 0.00 N ATOM 0 H GLN A 41 -6.058 7.530 1.326 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.366 10.052 -0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.427 7.857 -1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.824 7.373 -0.314 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.323 9.985 -1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.834 8.819 -2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.959 6.429 -2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.707 6.572 -1.909 1.00 0.00 H new ATOM 570 N LYS A 42 -8.100 10.923 1.592 1.00 0.00 N ATOM 571 CA LYS A 42 -9.294 11.545 2.241 1.00 0.00 C ATOM 572 C LYS A 42 -10.141 10.482 2.960 1.00 0.00 C ATOM 573 O LYS A 42 -11.334 10.380 2.747 1.00 0.00 O ATOM 574 CB LYS A 42 -10.153 12.232 1.166 1.00 0.00 C ATOM 575 CG LYS A 42 -9.259 12.910 0.115 1.00 0.00 C ATOM 576 CD LYS A 42 -8.396 13.994 0.780 1.00 0.00 C ATOM 577 CE LYS A 42 -7.754 14.888 -0.296 1.00 0.00 C ATOM 578 NZ LYS A 42 -6.502 15.497 0.240 1.00 0.00 N ATOM 0 H LYS A 42 -7.247 11.479 1.646 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.951 12.274 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.799 11.498 0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.804 12.973 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.620 12.168 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.875 13.353 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.008 14.599 1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.620 13.530 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.532 14.300 -1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.451 15.670 -0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.008 16.004 -0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.739 16.164 1.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.885 14.749 0.615 1.00 0.00 H new ATOM 592 N ALA A 43 -9.531 9.692 3.808 1.00 0.00 N ATOM 593 CA ALA A 43 -10.295 8.632 4.552 1.00 0.00 C ATOM 594 C ALA A 43 -9.831 8.600 6.018 1.00 0.00 C ATOM 595 O ALA A 43 -10.631 8.623 6.933 1.00 0.00 O ATOM 596 CB ALA A 43 -10.051 7.275 3.893 1.00 0.00 C ATOM 0 H ALA A 43 -8.534 9.732 4.021 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.361 8.856 4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.604 6.505 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.389 7.308 2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.986 7.043 3.921 1.00 0.00 H new ATOM 602 N THR A 44 -8.543 8.584 6.241 1.00 0.00 N ATOM 603 CA THR A 44 -7.991 8.597 7.626 1.00 0.00 C ATOM 604 C THR A 44 -6.837 9.601 7.623 1.00 0.00 C ATOM 605 O THR A 44 -5.730 9.302 8.025 1.00 0.00 O ATOM 606 CB THR A 44 -7.482 7.196 7.988 1.00 0.00 C ATOM 607 OG1 THR A 44 -8.508 6.248 7.726 1.00 0.00 O ATOM 608 CG2 THR A 44 -7.104 7.129 9.474 1.00 0.00 C ATOM 0 H THR A 44 -7.837 8.562 5.505 1.00 0.00 H new ATOM 0 HA THR A 44 -8.747 8.877 8.360 1.00 0.00 H new ATOM 0 HB THR A 44 -6.599 6.974 7.389 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.140 5.503 7.207 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.745 6.128 9.713 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.319 7.856 9.683 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.979 7.356 10.083 1.00 0.00 H new ATOM 616 N PRO A 45 -7.117 10.801 7.161 1.00 0.00 N ATOM 617 CA PRO A 45 -6.133 11.906 7.079 1.00 0.00 C ATOM 618 C PRO A 45 -5.043 11.838 8.158 1.00 0.00 C ATOM 619 O PRO A 45 -5.206 12.367 9.239 1.00 0.00 O ATOM 620 CB PRO A 45 -7.016 13.135 7.297 1.00 0.00 C ATOM 621 CG PRO A 45 -8.311 12.792 6.624 1.00 0.00 C ATOM 622 CD PRO A 45 -8.430 11.254 6.654 1.00 0.00 C ATOM 0 HA PRO A 45 -5.579 11.892 6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.161 13.336 8.358 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.567 14.028 6.862 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.151 13.256 7.141 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.325 13.162 5.599 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.242 10.930 7.305 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.635 10.851 5.662 1.00 0.00 H new ATOM 630 N PRO A 46 -3.927 11.209 7.863 1.00 0.00 N ATOM 631 CA PRO A 46 -2.798 11.104 8.815 1.00 0.00 C ATOM 632 C PRO A 46 -1.856 12.303 8.660 1.00 0.00 C ATOM 633 O PRO A 46 -1.731 13.126 9.542 1.00 0.00 O ATOM 634 CB PRO A 46 -2.111 9.785 8.420 1.00 0.00 C ATOM 635 CG PRO A 46 -2.501 9.519 6.979 1.00 0.00 C ATOM 636 CD PRO A 46 -3.608 10.532 6.597 1.00 0.00 C ATOM 0 HA PRO A 46 -3.110 11.108 9.860 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.029 9.864 8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.433 8.969 9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.638 9.630 6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.861 8.497 6.863 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.259 11.239 5.844 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.482 10.030 6.182 1.00 0.00 H new ATOM 644 N LYS A 47 -1.213 12.420 7.528 1.00 0.00 N ATOM 645 CA LYS A 47 -0.308 13.579 7.301 1.00 0.00 C ATOM 646 C LYS A 47 -1.129 14.712 6.673 1.00 0.00 C ATOM 647 O LYS A 47 -0.718 15.854 6.647 1.00 0.00 O ATOM 648 CB LYS A 47 0.851 13.174 6.374 1.00 0.00 C ATOM 649 CG LYS A 47 1.237 11.705 6.621 1.00 0.00 C ATOM 650 CD LYS A 47 2.654 11.442 6.079 1.00 0.00 C ATOM 651 CE LYS A 47 3.158 10.066 6.533 1.00 0.00 C ATOM 652 NZ LYS A 47 4.164 9.576 5.548 1.00 0.00 N ATOM 0 H LYS A 47 -1.277 11.761 6.752 1.00 0.00 H new ATOM 0 HA LYS A 47 0.121 13.913 8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.559 13.311 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.711 13.819 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.198 11.483 7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.522 11.044 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.648 11.492 4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.334 12.218 6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.604 10.135 7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.327 9.364 6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.514 8.643 5.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.722 9.498 4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.959 10.245 5.502 1.00 0.00 H new ATOM 666 N LEU A 48 -2.306 14.398 6.191 1.00 0.00 N ATOM 667 CA LEU A 48 -3.180 15.450 5.595 1.00 0.00 C ATOM 668 C LEU A 48 -3.848 16.200 6.756 1.00 0.00 C ATOM 669 O LEU A 48 -4.901 15.823 7.227 1.00 0.00 O ATOM 670 CB LEU A 48 -4.253 14.793 4.706 1.00 0.00 C ATOM 671 CG LEU A 48 -3.593 14.060 3.523 1.00 0.00 C ATOM 672 CD1 LEU A 48 -4.621 13.144 2.844 1.00 0.00 C ATOM 673 CD2 LEU A 48 -3.057 15.073 2.497 1.00 0.00 C ATOM 0 H LEU A 48 -2.698 13.456 6.185 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.598 16.135 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.842 14.090 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.941 15.552 4.334 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.762 13.464 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.151 12.627 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.987 12.412 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.456 13.742 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.594 14.540 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.880 15.682 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.317 15.716 2.973 1.00 0.00 H new ATOM 685 N GLU A 49 -3.214 17.234 7.251 1.00 0.00 N ATOM 686 CA GLU A 49 -3.772 17.995 8.421 1.00 0.00 C ATOM 687 C GLU A 49 -4.463 19.292 7.973 1.00 0.00 C ATOM 688 O GLU A 49 -5.479 19.673 8.519 1.00 0.00 O ATOM 689 CB GLU A 49 -2.616 18.323 9.378 1.00 0.00 C ATOM 690 CG GLU A 49 -3.154 18.637 10.780 1.00 0.00 C ATOM 691 CD GLU A 49 -1.983 18.730 11.758 1.00 0.00 C ATOM 692 OE1 GLU A 49 -0.900 19.080 11.322 1.00 0.00 O ATOM 693 OE2 GLU A 49 -2.189 18.446 12.927 1.00 0.00 O ATOM 0 H GLU A 49 -2.327 17.589 6.895 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.523 17.381 8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.926 17.481 9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.052 19.175 8.999 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.709 19.575 10.768 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.849 17.860 11.099 1.00 0.00 H new ATOM 700 N ASP A 50 -3.928 19.977 6.994 1.00 0.00 N ATOM 701 CA ASP A 50 -4.572 21.249 6.534 1.00 0.00 C ATOM 702 C ASP A 50 -3.871 21.753 5.271 1.00 0.00 C ATOM 703 O ASP A 50 -3.564 22.923 5.140 1.00 0.00 O ATOM 704 CB ASP A 50 -4.467 22.319 7.630 1.00 0.00 C ATOM 705 CG ASP A 50 -5.295 23.543 7.230 1.00 0.00 C ATOM 706 OD1 ASP A 50 -6.503 23.406 7.134 1.00 0.00 O ATOM 707 OD2 ASP A 50 -4.709 24.596 7.031 1.00 0.00 O ATOM 0 H ASP A 50 -3.078 19.714 6.495 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.623 21.054 6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.825 21.919 8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.425 22.604 7.777 1.00 0.00 H new ATOM 712 N LYS A 51 -3.625 20.876 4.334 1.00 0.00 N ATOM 713 CA LYS A 51 -2.952 21.280 3.067 1.00 0.00 C ATOM 714 C LYS A 51 -4.010 21.687 2.040 1.00 0.00 C ATOM 715 O LYS A 51 -4.215 22.859 1.792 1.00 0.00 O ATOM 716 CB LYS A 51 -2.142 20.097 2.537 1.00 0.00 C ATOM 717 CG LYS A 51 -0.932 19.859 3.447 1.00 0.00 C ATOM 718 CD LYS A 51 -0.208 18.579 3.025 1.00 0.00 C ATOM 719 CE LYS A 51 1.059 18.408 3.864 1.00 0.00 C ATOM 720 NZ LYS A 51 2.109 19.342 3.367 1.00 0.00 N ATOM 0 H LYS A 51 -3.865 19.886 4.394 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.287 22.124 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.765 19.203 2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.811 20.297 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.251 20.708 3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.256 19.779 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.863 17.718 3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.048 18.626 1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.844 18.610 4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.413 17.379 3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.046 18.907 3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.947 19.542 2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.068 20.230 3.907 1.00 0.00 H new ATOM 734 N SER A 52 -4.701 20.746 1.442 1.00 0.00 N ATOM 735 CA SER A 52 -5.736 21.134 0.443 1.00 0.00 C ATOM 736 C SER A 52 -5.012 21.715 -0.775 1.00 0.00 C ATOM 737 O SER A 52 -3.801 21.694 -0.829 1.00 0.00 O ATOM 738 CB SER A 52 -6.660 22.166 1.106 1.00 0.00 C ATOM 739 OG SER A 52 -8.006 21.909 0.738 1.00 0.00 O ATOM 0 H SER A 52 -4.594 19.744 1.601 1.00 0.00 H new ATOM 0 HA SER A 52 -6.341 20.289 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.554 22.120 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.375 23.173 0.800 1.00 0.00 H new ATOM 0 HG SER A 52 -8.593 22.568 1.164 1.00 0.00 H new ATOM 745 N PRO A 53 -5.726 22.227 -1.742 1.00 0.00 N ATOM 746 CA PRO A 53 -5.103 22.821 -2.962 1.00 0.00 C ATOM 747 C PRO A 53 -4.199 24.017 -2.619 1.00 0.00 C ATOM 748 O PRO A 53 -4.112 24.979 -3.354 1.00 0.00 O ATOM 749 CB PRO A 53 -6.309 23.246 -3.822 1.00 0.00 C ATOM 750 CG PRO A 53 -7.445 22.428 -3.301 1.00 0.00 C ATOM 751 CD PRO A 53 -7.193 22.284 -1.807 1.00 0.00 C ATOM 0 HA PRO A 53 -4.448 22.119 -3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.510 24.313 -3.724 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.131 23.051 -4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.400 22.917 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.482 21.454 -3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -7.593 23.127 -1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.654 21.383 -1.402 1.00 0.00 H new ATOM 759 N ASP A 54 -3.515 23.941 -1.503 1.00 0.00 N ATOM 760 CA ASP A 54 -2.594 25.038 -1.086 1.00 0.00 C ATOM 761 C ASP A 54 -1.162 24.662 -1.489 1.00 0.00 C ATOM 762 O ASP A 54 -0.237 25.433 -1.325 1.00 0.00 O ATOM 763 CB ASP A 54 -2.662 25.217 0.439 1.00 0.00 C ATOM 764 CG ASP A 54 -1.809 26.420 0.844 1.00 0.00 C ATOM 765 OD1 ASP A 54 -1.802 27.394 0.107 1.00 0.00 O ATOM 766 OD2 ASP A 54 -1.177 26.349 1.885 1.00 0.00 O ATOM 0 H ASP A 54 -3.558 23.153 -0.856 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.887 25.969 -1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.695 25.366 0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.303 24.317 0.939 1.00 0.00 H new ATOM 771 N SER A 55 -0.977 23.481 -2.024 1.00 0.00 N ATOM 772 CA SER A 55 0.385 23.046 -2.448 1.00 0.00 C ATOM 773 C SER A 55 0.242 21.758 -3.289 1.00 0.00 C ATOM 774 O SER A 55 -0.863 21.335 -3.570 1.00 0.00 O ATOM 775 CB SER A 55 1.242 22.789 -1.196 1.00 0.00 C ATOM 776 OG SER A 55 2.564 23.273 -1.408 1.00 0.00 O ATOM 0 H SER A 55 -1.716 22.797 -2.185 1.00 0.00 H new ATOM 0 HA SER A 55 0.872 23.815 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.798 23.284 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.267 21.722 -0.974 1.00 0.00 H new ATOM 0 HG SER A 55 3.197 22.734 -0.890 1.00 0.00 H new ATOM 782 N PRO A 56 1.330 21.128 -3.692 1.00 0.00 N ATOM 783 CA PRO A 56 1.265 19.874 -4.515 1.00 0.00 C ATOM 784 C PRO A 56 0.445 18.757 -3.856 1.00 0.00 C ATOM 785 O PRO A 56 0.349 17.665 -4.379 1.00 0.00 O ATOM 786 CB PRO A 56 2.733 19.439 -4.635 1.00 0.00 C ATOM 787 CG PRO A 56 3.512 20.696 -4.465 1.00 0.00 C ATOM 788 CD PRO A 56 2.734 21.516 -3.436 1.00 0.00 C ATOM 0 HA PRO A 56 0.772 20.061 -5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.993 18.705 -3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.932 18.977 -5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.524 20.488 -4.118 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.603 21.233 -5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.039 21.278 -2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.888 22.586 -3.573 1.00 0.00 H new ATOM 796 N GLU A 57 -0.128 19.010 -2.714 1.00 0.00 N ATOM 797 CA GLU A 57 -0.922 17.949 -2.025 1.00 0.00 C ATOM 798 C GLU A 57 -1.832 17.244 -3.046 1.00 0.00 C ATOM 799 O GLU A 57 -1.809 16.036 -3.168 1.00 0.00 O ATOM 800 CB GLU A 57 -1.749 18.584 -0.891 1.00 0.00 C ATOM 801 CG GLU A 57 -2.922 17.672 -0.486 1.00 0.00 C ATOM 802 CD GLU A 57 -4.104 17.893 -1.431 1.00 0.00 C ATOM 803 OE1 GLU A 57 -4.533 19.028 -1.556 1.00 0.00 O ATOM 804 OE2 GLU A 57 -4.559 16.922 -2.015 1.00 0.00 O ATOM 0 H GLU A 57 -0.083 19.904 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.254 17.205 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.109 18.765 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.131 19.553 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.610 16.628 -0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.221 17.884 0.540 1.00 0.00 H new ATOM 811 N MET A 58 -2.613 17.982 -3.790 1.00 0.00 N ATOM 812 CA MET A 58 -3.499 17.337 -4.804 1.00 0.00 C ATOM 813 C MET A 58 -2.647 16.546 -5.799 1.00 0.00 C ATOM 814 O MET A 58 -2.932 15.404 -6.104 1.00 0.00 O ATOM 815 CB MET A 58 -4.276 18.416 -5.573 1.00 0.00 C ATOM 816 CG MET A 58 -5.440 18.937 -4.726 1.00 0.00 C ATOM 817 SD MET A 58 -6.523 19.950 -5.767 1.00 0.00 S ATOM 818 CE MET A 58 -7.790 18.700 -6.094 1.00 0.00 C ATOM 0 H MET A 58 -2.676 18.999 -3.740 1.00 0.00 H new ATOM 0 HA MET A 58 -4.195 16.670 -4.295 1.00 0.00 H new ATOM 0 HB2 MET A 58 -3.609 19.238 -5.833 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.654 18.004 -6.509 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.999 18.103 -4.301 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.063 19.526 -3.890 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.566 19.126 -6.730 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.337 17.846 -6.597 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.231 18.374 -5.152 1.00 0.00 H new ATOM 828 N LYS A 59 -1.614 17.145 -6.325 1.00 0.00 N ATOM 829 CA LYS A 59 -0.772 16.428 -7.317 1.00 0.00 C ATOM 830 C LYS A 59 -0.075 15.250 -6.656 1.00 0.00 C ATOM 831 O LYS A 59 -0.161 14.131 -7.120 1.00 0.00 O ATOM 832 CB LYS A 59 0.277 17.374 -7.878 1.00 0.00 C ATOM 833 CG LYS A 59 -0.377 18.704 -8.244 1.00 0.00 C ATOM 834 CD LYS A 59 0.677 19.636 -8.882 1.00 0.00 C ATOM 835 CE LYS A 59 0.561 19.608 -10.412 1.00 0.00 C ATOM 836 NZ LYS A 59 -0.765 20.148 -10.813 1.00 0.00 N ATOM 0 H LYS A 59 -1.319 18.097 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.411 16.066 -8.122 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.066 17.535 -7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.746 16.933 -8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.200 18.538 -8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.800 19.171 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.538 20.654 -8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.677 19.324 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.359 20.201 -10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.677 18.588 -10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.680 20.631 -11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.448 19.368 -10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.096 20.824 -10.095 1.00 0.00 H new ATOM 850 N ASP A 60 0.612 15.479 -5.572 1.00 0.00 N ATOM 851 CA ASP A 60 1.293 14.340 -4.903 1.00 0.00 C ATOM 852 C ASP A 60 0.244 13.289 -4.602 1.00 0.00 C ATOM 853 O ASP A 60 0.498 12.115 -4.685 1.00 0.00 O ATOM 854 CB ASP A 60 1.947 14.769 -3.589 1.00 0.00 C ATOM 855 CG ASP A 60 2.706 13.584 -2.987 1.00 0.00 C ATOM 856 OD1 ASP A 60 2.649 12.512 -3.568 1.00 0.00 O ATOM 857 OD2 ASP A 60 3.331 13.769 -1.957 1.00 0.00 O ATOM 0 H ASP A 60 0.730 16.390 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 60 2.074 13.958 -5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.629 15.601 -3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.188 15.121 -2.891 1.00 0.00 H new ATOM 862 N PHE A 61 -0.951 13.706 -4.282 1.00 0.00 N ATOM 863 CA PHE A 61 -2.018 12.724 -4.007 1.00 0.00 C ATOM 864 C PHE A 61 -2.363 12.070 -5.333 1.00 0.00 C ATOM 865 O PHE A 61 -2.387 10.863 -5.459 1.00 0.00 O ATOM 866 CB PHE A 61 -3.240 13.444 -3.401 1.00 0.00 C ATOM 867 CG PHE A 61 -4.521 12.662 -3.623 1.00 0.00 C ATOM 868 CD1 PHE A 61 -4.508 11.260 -3.614 1.00 0.00 C ATOM 869 CD2 PHE A 61 -5.724 13.348 -3.833 1.00 0.00 C ATOM 870 CE1 PHE A 61 -5.695 10.548 -3.819 1.00 0.00 C ATOM 871 CE2 PHE A 61 -6.910 12.638 -4.037 1.00 0.00 C ATOM 872 CZ PHE A 61 -6.897 11.237 -4.033 1.00 0.00 C ATOM 0 H PHE A 61 -1.227 14.685 -4.201 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.699 11.969 -3.289 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.083 13.589 -2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.337 14.434 -3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.582 10.730 -3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.735 14.428 -3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.685 9.468 -3.812 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.837 13.169 -4.198 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.813 10.688 -4.195 1.00 0.00 H new ATOM 882 N ARG A 62 -2.608 12.865 -6.331 1.00 0.00 N ATOM 883 CA ARG A 62 -2.937 12.289 -7.651 1.00 0.00 C ATOM 884 C ARG A 62 -1.765 11.428 -8.119 1.00 0.00 C ATOM 885 O ARG A 62 -1.902 10.245 -8.356 1.00 0.00 O ATOM 886 CB ARG A 62 -3.184 13.413 -8.665 1.00 0.00 C ATOM 887 CG ARG A 62 -4.422 14.250 -8.249 1.00 0.00 C ATOM 888 CD ARG A 62 -5.589 13.991 -9.208 1.00 0.00 C ATOM 889 NE ARG A 62 -6.051 12.585 -9.052 1.00 0.00 N ATOM 890 CZ ARG A 62 -6.873 12.067 -9.925 1.00 0.00 C ATOM 891 NH1 ARG A 62 -7.242 12.760 -10.967 1.00 0.00 N ATOM 892 NH2 ARG A 62 -7.318 10.850 -9.759 1.00 0.00 N ATOM 0 H ARG A 62 -2.594 13.884 -6.287 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.838 11.681 -7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.306 14.056 -8.727 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.339 12.989 -9.657 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.716 13.995 -7.231 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.169 15.310 -8.251 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.407 14.680 -8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.276 14.171 -10.237 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.726 12.026 -8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.889 13.707 -11.101 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.884 12.354 -11.648 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.024 10.305 -8.948 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.960 10.444 -10.440 1.00 0.00 H new ATOM 906 N HIS A 63 -0.611 12.021 -8.257 1.00 0.00 N ATOM 907 CA HIS A 63 0.580 11.258 -8.709 1.00 0.00 C ATOM 908 C HIS A 63 1.006 10.229 -7.642 1.00 0.00 C ATOM 909 O HIS A 63 1.695 9.274 -7.934 1.00 0.00 O ATOM 910 CB HIS A 63 1.716 12.259 -8.964 1.00 0.00 C ATOM 911 CG HIS A 63 2.646 11.718 -10.008 1.00 0.00 C ATOM 912 ND1 HIS A 63 2.308 11.683 -11.349 1.00 0.00 N ATOM 913 CD2 HIS A 63 3.888 11.161 -9.916 1.00 0.00 C ATOM 914 CE1 HIS A 63 3.333 11.111 -12.007 1.00 0.00 C ATOM 915 NE2 HIS A 63 4.326 10.774 -11.179 1.00 0.00 N ATOM 0 H HIS A 63 -0.444 13.010 -8.074 1.00 0.00 H new ATOM 0 HA HIS A 63 0.345 10.710 -9.621 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.305 13.214 -9.290 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.262 12.446 -8.039 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.447 11.039 -9.000 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.351 10.945 -13.074 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.212 10.330 -11.420 1.00 0.00 H new ATOM 923 N GLY A 64 0.628 10.425 -6.406 1.00 0.00 N ATOM 924 CA GLY A 64 1.046 9.468 -5.331 1.00 0.00 C ATOM 925 C GLY A 64 0.255 8.153 -5.415 1.00 0.00 C ATOM 926 O GLY A 64 0.832 7.089 -5.526 1.00 0.00 O ATOM 0 H GLY A 64 0.049 11.204 -6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.112 9.260 -5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.892 9.926 -4.354 1.00 0.00 H new ATOM 930 N PHE A 65 -1.051 8.206 -5.342 1.00 0.00 N ATOM 931 CA PHE A 65 -1.843 6.942 -5.394 1.00 0.00 C ATOM 932 C PHE A 65 -1.712 6.310 -6.785 1.00 0.00 C ATOM 933 O PHE A 65 -1.820 5.117 -6.946 1.00 0.00 O ATOM 934 CB PHE A 65 -3.322 7.228 -5.021 1.00 0.00 C ATOM 935 CG PHE A 65 -4.163 7.562 -6.238 1.00 0.00 C ATOM 936 CD1 PHE A 65 -4.543 6.547 -7.119 1.00 0.00 C ATOM 937 CD2 PHE A 65 -4.584 8.876 -6.471 1.00 0.00 C ATOM 938 CE1 PHE A 65 -5.329 6.845 -8.237 1.00 0.00 C ATOM 939 CE2 PHE A 65 -5.371 9.174 -7.585 1.00 0.00 C ATOM 940 CZ PHE A 65 -5.747 8.160 -8.469 1.00 0.00 C ATOM 0 H PHE A 65 -1.598 9.062 -5.249 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.455 6.229 -4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.743 6.358 -4.518 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.363 8.056 -4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.229 5.530 -6.937 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.299 9.662 -5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.613 6.060 -8.922 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.690 10.190 -7.764 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.358 8.390 -9.329 1.00 0.00 H new ATOM 950 N ASP A 66 -1.467 7.103 -7.783 1.00 0.00 N ATOM 951 CA ASP A 66 -1.323 6.563 -9.160 1.00 0.00 C ATOM 952 C ASP A 66 -0.082 5.684 -9.236 1.00 0.00 C ATOM 953 O ASP A 66 -0.080 4.639 -9.854 1.00 0.00 O ATOM 954 CB ASP A 66 -1.191 7.718 -10.149 1.00 0.00 C ATOM 955 CG ASP A 66 -1.145 7.165 -11.575 1.00 0.00 C ATOM 956 OD1 ASP A 66 -0.069 6.795 -12.014 1.00 0.00 O ATOM 957 OD2 ASP A 66 -2.188 7.130 -12.207 1.00 0.00 O ATOM 0 H ASP A 66 -1.359 8.114 -7.704 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.203 5.970 -9.410 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.032 8.402 -10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.286 8.289 -9.939 1.00 0.00 H new ATOM 962 N ILE A 67 0.976 6.091 -8.612 1.00 0.00 N ATOM 963 CA ILE A 67 2.204 5.265 -8.632 1.00 0.00 C ATOM 964 C ILE A 67 1.931 3.968 -7.867 1.00 0.00 C ATOM 965 O ILE A 67 2.186 2.891 -8.354 1.00 0.00 O ATOM 966 CB ILE A 67 3.337 6.057 -7.983 1.00 0.00 C ATOM 967 CG1 ILE A 67 3.722 7.185 -8.934 1.00 0.00 C ATOM 968 CG2 ILE A 67 4.547 5.155 -7.729 1.00 0.00 C ATOM 969 CD1 ILE A 67 4.702 8.137 -8.246 1.00 0.00 C ATOM 0 H ILE A 67 1.045 6.963 -8.087 1.00 0.00 H new ATOM 0 HA ILE A 67 2.494 5.016 -9.653 1.00 0.00 H new ATOM 0 HB ILE A 67 3.010 6.457 -7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.175 6.773 -9.836 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.831 7.730 -9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.344 5.737 -7.266 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.260 4.340 -7.065 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.900 4.745 -8.675 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.972 8.940 -8.932 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.234 8.561 -7.357 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.599 7.589 -7.957 1.00 0.00 H new ATOM 981 N LEU A 68 1.406 4.082 -6.671 1.00 0.00 N ATOM 982 CA LEU A 68 1.100 2.883 -5.835 1.00 0.00 C ATOM 983 C LEU A 68 0.105 1.955 -6.555 1.00 0.00 C ATOM 984 O LEU A 68 0.371 0.788 -6.758 1.00 0.00 O ATOM 985 CB LEU A 68 0.493 3.366 -4.506 1.00 0.00 C ATOM 986 CG LEU A 68 1.581 4.041 -3.639 1.00 0.00 C ATOM 987 CD1 LEU A 68 0.943 5.017 -2.643 1.00 0.00 C ATOM 988 CD2 LEU A 68 2.355 2.984 -2.844 1.00 0.00 C ATOM 0 H LEU A 68 1.173 4.973 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 68 2.016 2.320 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.316 4.070 -4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.059 2.523 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 68 2.255 4.578 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.722 5.483 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.396 5.787 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.257 4.476 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.118 3.472 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.668 2.441 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.830 2.286 -3.533 1.00 0.00 H new ATOM 1000 N VAL A 69 -1.034 2.445 -6.947 1.00 0.00 N ATOM 1001 CA VAL A 69 -2.006 1.549 -7.653 1.00 0.00 C ATOM 1002 C VAL A 69 -1.354 1.037 -8.936 1.00 0.00 C ATOM 1003 O VAL A 69 -1.579 -0.079 -9.363 1.00 0.00 O ATOM 1004 CB VAL A 69 -3.290 2.314 -8.020 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -3.968 2.840 -6.753 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -2.963 3.462 -8.993 1.00 0.00 C ATOM 0 H VAL A 69 -1.337 3.410 -6.816 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.268 0.723 -6.992 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.982 1.635 -8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.876 3.380 -7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.224 2.003 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.289 3.512 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.879 3.996 -9.246 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.260 4.149 -8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.518 3.054 -9.901 1.00 0.00 H new ATOM 1016 N GLY A 70 -0.559 1.861 -9.559 1.00 0.00 N ATOM 1017 CA GLY A 70 0.108 1.457 -10.827 1.00 0.00 C ATOM 1018 C GLY A 70 1.070 0.287 -10.601 1.00 0.00 C ATOM 1019 O GLY A 70 1.186 -0.581 -11.437 1.00 0.00 O ATOM 0 H GLY A 70 -0.341 2.805 -9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.645 1.175 -11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.654 2.305 -11.240 1.00 0.00 H new ATOM 1023 N GLN A 71 1.779 0.258 -9.498 1.00 0.00 N ATOM 1024 CA GLN A 71 2.748 -0.853 -9.261 1.00 0.00 C ATOM 1025 C GLN A 71 2.066 -1.989 -8.505 1.00 0.00 C ATOM 1026 O GLN A 71 2.453 -3.136 -8.612 1.00 0.00 O ATOM 1027 CB GLN A 71 3.927 -0.329 -8.441 1.00 0.00 C ATOM 1028 CG GLN A 71 3.408 0.256 -7.127 1.00 0.00 C ATOM 1029 CD GLN A 71 4.523 1.036 -6.423 1.00 0.00 C ATOM 1030 OE1 GLN A 71 4.356 2.309 -6.163 1.00 0.00 O flip ATOM 1031 NE2 GLN A 71 5.562 0.485 -6.109 1.00 0.00 N flip ATOM 0 H GLN A 71 1.727 0.955 -8.755 1.00 0.00 H new ATOM 0 HA GLN A 71 3.105 -1.229 -10.220 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.632 -1.136 -8.240 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.466 0.433 -9.004 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.561 0.913 -7.322 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.049 -0.544 -6.480 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.695 -0.506 -6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.300 1.014 -5.645 1.00 0.00 H new ATOM 1040 N ILE A 72 1.054 -1.689 -7.752 1.00 0.00 N ATOM 1041 CA ILE A 72 0.354 -2.764 -7.009 1.00 0.00 C ATOM 1042 C ILE A 72 -0.231 -3.726 -8.041 1.00 0.00 C ATOM 1043 O ILE A 72 -0.178 -4.929 -7.888 1.00 0.00 O ATOM 1044 CB ILE A 72 -0.749 -2.125 -6.159 1.00 0.00 C ATOM 1045 CG1 ILE A 72 -0.106 -1.473 -4.927 1.00 0.00 C ATOM 1046 CG2 ILE A 72 -1.766 -3.180 -5.709 1.00 0.00 C ATOM 1047 CD1 ILE A 72 -1.093 -0.513 -4.261 1.00 0.00 C ATOM 0 H ILE A 72 0.681 -0.749 -7.618 1.00 0.00 H new ATOM 0 HA ILE A 72 1.026 -3.310 -6.346 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.272 -1.376 -6.754 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.199 -2.242 -4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.795 -0.934 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.541 -2.705 -5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.220 -3.644 -6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.261 -3.942 -5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.625 -0.057 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.377 0.266 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.982 -1.062 -3.950 1.00 0.00 H new ATOM 1059 N ASP A 73 -0.762 -3.199 -9.107 1.00 0.00 N ATOM 1060 CA ASP A 73 -1.320 -4.076 -10.173 1.00 0.00 C ATOM 1061 C ASP A 73 -0.170 -4.751 -10.936 1.00 0.00 C ATOM 1062 O ASP A 73 -0.192 -5.943 -11.180 1.00 0.00 O ATOM 1063 CB ASP A 73 -2.150 -3.240 -11.149 1.00 0.00 C ATOM 1064 CG ASP A 73 -2.758 -4.151 -12.222 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -2.414 -5.321 -12.246 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -3.556 -3.661 -13.005 1.00 0.00 O ATOM 0 H ASP A 73 -0.834 -2.198 -9.287 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.954 -4.836 -9.716 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.941 -2.716 -10.613 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.524 -2.480 -11.616 1.00 0.00 H new ATOM 1071 N ASP A 74 0.830 -3.999 -11.334 1.00 0.00 N ATOM 1072 CA ASP A 74 1.968 -4.605 -12.099 1.00 0.00 C ATOM 1073 C ASP A 74 2.650 -5.698 -11.275 1.00 0.00 C ATOM 1074 O ASP A 74 3.051 -6.719 -11.792 1.00 0.00 O ATOM 1075 CB ASP A 74 3.012 -3.538 -12.442 1.00 0.00 C ATOM 1076 CG ASP A 74 2.321 -2.298 -13.007 1.00 0.00 C ATOM 1077 OD1 ASP A 74 1.146 -2.387 -13.318 1.00 0.00 O ATOM 1078 OD2 ASP A 74 2.980 -1.276 -13.117 1.00 0.00 O ATOM 0 H ASP A 74 0.907 -2.996 -11.163 1.00 0.00 H new ATOM 0 HA ASP A 74 1.559 -5.033 -13.014 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.581 -3.274 -11.551 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.723 -3.932 -13.169 1.00 0.00 H new ATOM 1083 N ALA A 75 2.827 -5.483 -10.004 1.00 0.00 N ATOM 1084 CA ALA A 75 3.512 -6.511 -9.176 1.00 0.00 C ATOM 1085 C ALA A 75 2.565 -7.680 -8.903 1.00 0.00 C ATOM 1086 O ALA A 75 2.991 -8.807 -8.722 1.00 0.00 O ATOM 1087 CB ALA A 75 3.957 -5.889 -7.853 1.00 0.00 C ATOM 0 H ALA A 75 2.529 -4.645 -9.504 1.00 0.00 H new ATOM 0 HA ALA A 75 4.384 -6.880 -9.715 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.459 -6.643 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.644 -5.066 -8.051 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.086 -5.513 -7.316 1.00 0.00 H new ATOM 1093 N LEU A 76 1.286 -7.425 -8.854 1.00 0.00 N ATOM 1094 CA LEU A 76 0.319 -8.521 -8.568 1.00 0.00 C ATOM 1095 C LEU A 76 0.310 -9.513 -9.732 1.00 0.00 C ATOM 1096 O LEU A 76 0.521 -10.695 -9.545 1.00 0.00 O ATOM 1097 CB LEU A 76 -1.080 -7.917 -8.380 1.00 0.00 C ATOM 1098 CG LEU A 76 -2.080 -8.986 -7.862 1.00 0.00 C ATOM 1099 CD1 LEU A 76 -3.165 -8.306 -7.019 1.00 0.00 C ATOM 1100 CD2 LEU A 76 -2.748 -9.730 -9.038 1.00 0.00 C ATOM 0 H LEU A 76 0.870 -6.505 -9.000 1.00 0.00 H new ATOM 0 HA LEU A 76 0.612 -9.047 -7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.031 -7.087 -7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.435 -7.510 -9.327 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.530 -9.707 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.867 -9.056 -6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.703 -7.800 -6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.697 -7.577 -7.630 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.444 -10.474 -8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.289 -9.017 -9.660 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.984 -10.226 -9.636 1.00 0.00 H new ATOM 1112 N LYS A 77 0.080 -9.055 -10.937 1.00 0.00 N ATOM 1113 CA LYS A 77 0.077 -10.012 -12.084 1.00 0.00 C ATOM 1114 C LYS A 77 1.426 -10.707 -12.112 1.00 0.00 C ATOM 1115 O LYS A 77 1.519 -11.895 -12.345 1.00 0.00 O ATOM 1116 CB LYS A 77 -0.138 -9.280 -13.423 1.00 0.00 C ATOM 1117 CG LYS A 77 0.891 -8.134 -13.606 1.00 0.00 C ATOM 1118 CD LYS A 77 2.067 -8.589 -14.491 1.00 0.00 C ATOM 1119 CE LYS A 77 1.697 -8.470 -15.978 1.00 0.00 C ATOM 1120 NZ LYS A 77 0.227 -8.641 -16.167 1.00 0.00 N ATOM 0 H LYS A 77 -0.102 -8.080 -11.173 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.737 -10.725 -11.955 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.048 -9.988 -14.247 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.149 -8.874 -13.461 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.403 -7.270 -14.058 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.265 -7.816 -12.633 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.946 -7.981 -14.279 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.329 -9.621 -14.256 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.008 -7.497 -16.359 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.234 -9.224 -16.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.019 -8.457 -17.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.044 -9.613 -15.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.282 -7.972 -15.555 1.00 0.00 H new ATOM 1134 N LEU A 78 2.475 -9.979 -11.856 1.00 0.00 N ATOM 1135 CA LEU A 78 3.809 -10.615 -11.849 1.00 0.00 C ATOM 1136 C LEU A 78 3.786 -11.712 -10.796 1.00 0.00 C ATOM 1137 O LEU A 78 4.173 -12.827 -11.040 1.00 0.00 O ATOM 1138 CB LEU A 78 4.882 -9.553 -11.524 1.00 0.00 C ATOM 1139 CG LEU A 78 6.216 -9.892 -12.215 1.00 0.00 C ATOM 1140 CD1 LEU A 78 6.700 -11.273 -11.745 1.00 0.00 C ATOM 1141 CD2 LEU A 78 6.052 -9.864 -13.760 1.00 0.00 C ATOM 0 H LEU A 78 2.462 -8.979 -11.653 1.00 0.00 H new ATOM 0 HA LEU A 78 4.050 -11.044 -12.821 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.538 -8.571 -11.849 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.030 -9.498 -10.446 1.00 0.00 H new ATOM 0 HG LEU A 78 6.960 -9.144 -11.943 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.644 -11.513 -12.234 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.844 -11.260 -10.665 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.956 -12.027 -12.003 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.005 -10.106 -14.231 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.302 -10.596 -14.060 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.734 -8.870 -14.074 1.00 0.00 H new ATOM 1153 N ALA A 79 3.302 -11.409 -9.630 1.00 0.00 N ATOM 1154 CA ALA A 79 3.232 -12.446 -8.573 1.00 0.00 C ATOM 1155 C ALA A 79 2.391 -13.617 -9.074 1.00 0.00 C ATOM 1156 O ALA A 79 2.813 -14.750 -9.040 1.00 0.00 O ATOM 1157 CB ALA A 79 2.592 -11.858 -7.320 1.00 0.00 C ATOM 0 H ALA A 79 2.952 -10.489 -9.363 1.00 0.00 H new ATOM 0 HA ALA A 79 4.238 -12.792 -8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.542 -12.622 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.191 -11.019 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.585 -11.512 -7.554 1.00 0.00 H new ATOM 1163 N ASN A 80 1.204 -13.360 -9.543 1.00 0.00 N ATOM 1164 CA ASN A 80 0.362 -14.480 -10.045 1.00 0.00 C ATOM 1165 C ASN A 80 1.115 -15.198 -11.167 1.00 0.00 C ATOM 1166 O ASN A 80 1.410 -16.370 -11.080 1.00 0.00 O ATOM 1167 CB ASN A 80 -0.974 -13.923 -10.574 1.00 0.00 C ATOM 1168 CG ASN A 80 -2.031 -13.960 -9.467 1.00 0.00 C ATOM 1169 OD1 ASN A 80 -2.156 -14.935 -8.749 1.00 0.00 O ATOM 1170 ND2 ASN A 80 -2.798 -12.931 -9.311 1.00 0.00 N ATOM 0 H ASN A 80 0.783 -12.433 -9.601 1.00 0.00 H new ATOM 0 HA ASN A 80 0.154 -15.183 -9.239 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.838 -12.900 -10.924 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.310 -14.510 -11.429 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.513 -12.933 -8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.688 -12.117 -9.916 1.00 0.00 H new ATOM 1177 N GLU A 81 1.413 -14.500 -12.223 1.00 0.00 N ATOM 1178 CA GLU A 81 2.134 -15.130 -13.360 1.00 0.00 C ATOM 1179 C GLU A 81 3.615 -15.339 -13.005 1.00 0.00 C ATOM 1180 O GLU A 81 4.414 -15.711 -13.843 1.00 0.00 O ATOM 1181 CB GLU A 81 1.987 -14.210 -14.584 1.00 0.00 C ATOM 1182 CG GLU A 81 2.751 -14.744 -15.810 1.00 0.00 C ATOM 1183 CD GLU A 81 2.598 -16.262 -15.940 1.00 0.00 C ATOM 1184 OE1 GLU A 81 1.483 -16.741 -15.806 1.00 0.00 O ATOM 1185 OE2 GLU A 81 3.599 -16.918 -16.169 1.00 0.00 O ATOM 0 H GLU A 81 1.187 -13.513 -12.349 1.00 0.00 H new ATOM 0 HA GLU A 81 1.711 -16.110 -13.581 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.931 -14.106 -14.833 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.355 -13.215 -14.334 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.379 -14.260 -16.713 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.807 -14.488 -15.723 1.00 0.00 H new ATOM 1192 N GLY A 82 3.999 -15.100 -11.772 1.00 0.00 N ATOM 1193 CA GLY A 82 5.436 -15.276 -11.370 1.00 0.00 C ATOM 1194 C GLY A 82 5.515 -15.972 -10.009 1.00 0.00 C ATOM 1195 O GLY A 82 4.516 -16.272 -9.390 1.00 0.00 O ATOM 0 H GLY A 82 3.379 -14.790 -11.024 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.963 -15.865 -12.121 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.930 -14.306 -11.321 1.00 0.00 H new ATOM 1199 N LYS A 83 6.706 -16.232 -9.547 1.00 0.00 N ATOM 1200 CA LYS A 83 6.880 -16.906 -8.223 1.00 0.00 C ATOM 1201 C LYS A 83 6.739 -15.860 -7.109 1.00 0.00 C ATOM 1202 O LYS A 83 6.455 -14.707 -7.368 1.00 0.00 O ATOM 1203 CB LYS A 83 8.277 -17.571 -8.176 1.00 0.00 C ATOM 1204 CG LYS A 83 8.193 -19.035 -8.631 1.00 0.00 C ATOM 1205 CD LYS A 83 7.786 -19.129 -10.117 1.00 0.00 C ATOM 1206 CE LYS A 83 8.943 -18.705 -11.042 1.00 0.00 C ATOM 1207 NZ LYS A 83 10.234 -19.267 -10.555 1.00 0.00 N ATOM 0 H LYS A 83 7.575 -16.006 -10.031 1.00 0.00 H new ATOM 0 HA LYS A 83 6.120 -17.675 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.968 -17.024 -8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.676 -17.522 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.157 -19.522 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.468 -19.570 -8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.487 -20.151 -10.350 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.920 -18.493 -10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.750 -19.050 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.005 -17.617 -11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.926 -19.271 -11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.594 -18.683 -9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.084 -20.240 -10.219 1.00 0.00 H new ATOM 1221 N VAL A 84 6.935 -16.246 -5.871 1.00 0.00 N ATOM 1222 CA VAL A 84 6.812 -15.263 -4.762 1.00 0.00 C ATOM 1223 C VAL A 84 8.152 -14.539 -4.614 1.00 0.00 C ATOM 1224 O VAL A 84 8.218 -13.325 -4.628 1.00 0.00 O ATOM 1225 CB VAL A 84 6.458 -15.984 -3.452 1.00 0.00 C ATOM 1226 CG1 VAL A 84 6.431 -14.955 -2.312 1.00 0.00 C ATOM 1227 CG2 VAL A 84 5.077 -16.659 -3.588 1.00 0.00 C ATOM 0 H VAL A 84 7.174 -17.196 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 84 6.020 -14.548 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 84 7.203 -16.750 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.181 -15.455 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.411 -14.486 -2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.682 -14.193 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.828 -17.170 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.321 -15.902 -3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.104 -17.382 -4.403 1.00 0.00 H new ATOM 1237 N LYS A 85 9.226 -15.278 -4.516 1.00 0.00 N ATOM 1238 CA LYS A 85 10.563 -14.634 -4.414 1.00 0.00 C ATOM 1239 C LYS A 85 10.742 -13.802 -5.683 1.00 0.00 C ATOM 1240 O LYS A 85 11.386 -12.772 -5.690 1.00 0.00 O ATOM 1241 CB LYS A 85 11.643 -15.736 -4.297 1.00 0.00 C ATOM 1242 CG LYS A 85 12.971 -15.307 -4.951 1.00 0.00 C ATOM 1243 CD LYS A 85 14.074 -16.339 -4.632 1.00 0.00 C ATOM 1244 CE LYS A 85 14.819 -15.957 -3.342 1.00 0.00 C ATOM 1245 NZ LYS A 85 15.948 -15.051 -3.680 1.00 0.00 N ATOM 0 H LYS A 85 9.232 -16.298 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 85 10.652 -13.994 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.814 -15.968 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.283 -16.650 -4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.843 -15.221 -6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.265 -14.323 -4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.632 -17.329 -4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.778 -16.394 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.138 -15.466 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.192 -16.852 -2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.455 -14.789 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.600 -15.536 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.579 -14.193 -4.137 1.00 0.00 H new ATOM 1259 N GLU A 86 10.141 -14.249 -6.747 1.00 0.00 N ATOM 1260 CA GLU A 86 10.215 -13.511 -8.033 1.00 0.00 C ATOM 1261 C GLU A 86 9.539 -12.145 -7.845 1.00 0.00 C ATOM 1262 O GLU A 86 10.096 -11.108 -8.152 1.00 0.00 O ATOM 1263 CB GLU A 86 9.481 -14.343 -9.095 1.00 0.00 C ATOM 1264 CG GLU A 86 9.118 -13.501 -10.314 1.00 0.00 C ATOM 1265 CD GLU A 86 10.374 -12.831 -10.870 1.00 0.00 C ATOM 1266 OE1 GLU A 86 11.438 -13.410 -10.730 1.00 0.00 O ATOM 1267 OE2 GLU A 86 10.251 -11.751 -11.422 1.00 0.00 O ATOM 0 H GLU A 86 9.593 -15.109 -6.779 1.00 0.00 H new ATOM 0 HA GLU A 86 11.246 -13.352 -8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.110 -15.178 -9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.575 -14.769 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.660 -14.129 -11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.382 -12.745 -10.040 1.00 0.00 H new ATOM 1274 N ALA A 87 8.336 -12.149 -7.340 1.00 0.00 N ATOM 1275 CA ALA A 87 7.611 -10.862 -7.123 1.00 0.00 C ATOM 1276 C ALA A 87 8.408 -9.993 -6.139 1.00 0.00 C ATOM 1277 O ALA A 87 8.418 -8.780 -6.233 1.00 0.00 O ATOM 1278 CB ALA A 87 6.203 -11.156 -6.555 1.00 0.00 C ATOM 0 H ALA A 87 7.822 -12.987 -7.068 1.00 0.00 H new ATOM 0 HA ALA A 87 7.508 -10.329 -8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.672 -10.218 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.647 -11.772 -7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.296 -11.686 -5.607 1.00 0.00 H new ATOM 1284 N GLN A 88 9.079 -10.598 -5.198 1.00 0.00 N ATOM 1285 CA GLN A 88 9.860 -9.789 -4.233 1.00 0.00 C ATOM 1286 C GLN A 88 10.881 -8.969 -5.029 1.00 0.00 C ATOM 1287 O GLN A 88 11.156 -7.833 -4.709 1.00 0.00 O ATOM 1288 CB GLN A 88 10.529 -10.739 -3.202 1.00 0.00 C ATOM 1289 CG GLN A 88 12.060 -10.781 -3.337 1.00 0.00 C ATOM 1290 CD GLN A 88 12.669 -9.449 -2.881 1.00 0.00 C ATOM 1291 OE1 GLN A 88 11.889 -8.505 -2.429 1.00 0.00 O flip ATOM 1292 NE2 GLN A 88 13.871 -9.265 -2.936 1.00 0.00 N flip ATOM 0 H GLN A 88 9.118 -11.608 -5.059 1.00 0.00 H new ATOM 0 HA GLN A 88 9.229 -9.100 -3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.266 -10.417 -2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.130 -11.745 -3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.463 -11.597 -2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.336 -10.980 -4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.484 -10.000 -3.289 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.265 -8.376 -2.629 1.00 0.00 H new ATOM 1301 N ALA A 89 11.432 -9.542 -6.066 1.00 0.00 N ATOM 1302 CA ALA A 89 12.426 -8.803 -6.890 1.00 0.00 C ATOM 1303 C ALA A 89 11.774 -7.535 -7.440 1.00 0.00 C ATOM 1304 O ALA A 89 12.361 -6.471 -7.436 1.00 0.00 O ATOM 1305 CB ALA A 89 12.887 -9.691 -8.042 1.00 0.00 C ATOM 0 H ALA A 89 11.234 -10.493 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 89 13.288 -8.532 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.616 -9.152 -8.648 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.345 -10.596 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 89 12.030 -9.960 -8.659 1.00 0.00 H new ATOM 1311 N ALA A 90 10.559 -7.643 -7.910 1.00 0.00 N ATOM 1312 CA ALA A 90 9.857 -6.451 -8.460 1.00 0.00 C ATOM 1313 C ALA A 90 9.759 -5.363 -7.388 1.00 0.00 C ATOM 1314 O ALA A 90 9.881 -4.189 -7.672 1.00 0.00 O ATOM 1315 CB ALA A 90 8.447 -6.849 -8.885 1.00 0.00 C ATOM 0 H ALA A 90 10.022 -8.510 -7.936 1.00 0.00 H new ATOM 0 HA ALA A 90 10.416 -6.072 -9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.929 -5.979 -9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.503 -7.625 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.900 -7.228 -8.022 1.00 0.00 H new ATOM 1321 N ALA A 91 9.529 -5.731 -6.158 1.00 0.00 N ATOM 1322 CA ALA A 91 9.422 -4.697 -5.093 1.00 0.00 C ATOM 1323 C ALA A 91 10.775 -3.989 -4.942 1.00 0.00 C ATOM 1324 O ALA A 91 10.838 -2.813 -4.648 1.00 0.00 O ATOM 1325 CB ALA A 91 9.017 -5.356 -3.771 1.00 0.00 C ATOM 0 H ALA A 91 9.411 -6.695 -5.847 1.00 0.00 H new ATOM 0 HA ALA A 91 8.662 -3.965 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.940 -4.595 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.053 -5.851 -3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.769 -6.091 -3.486 1.00 0.00 H new ATOM 1331 N GLU A 92 11.858 -4.695 -5.143 1.00 0.00 N ATOM 1332 CA GLU A 92 13.202 -4.056 -5.011 1.00 0.00 C ATOM 1333 C GLU A 92 13.345 -2.919 -6.023 1.00 0.00 C ATOM 1334 O GLU A 92 13.654 -1.799 -5.668 1.00 0.00 O ATOM 1335 CB GLU A 92 14.295 -5.094 -5.255 1.00 0.00 C ATOM 1336 CG GLU A 92 14.072 -6.282 -4.320 1.00 0.00 C ATOM 1337 CD GLU A 92 15.338 -7.140 -4.259 1.00 0.00 C ATOM 1338 OE1 GLU A 92 16.318 -6.675 -3.703 1.00 0.00 O ATOM 1339 OE2 GLU A 92 15.304 -8.251 -4.766 1.00 0.00 O ATOM 0 H GLU A 92 11.870 -5.684 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 92 13.302 -3.653 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.276 -5.424 -6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.277 -4.655 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.814 -5.927 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.232 -6.881 -4.673 1.00 0.00 H new ATOM 1346 N GLN A 93 13.124 -3.192 -7.283 1.00 0.00 N ATOM 1347 CA GLN A 93 13.256 -2.106 -8.297 1.00 0.00 C ATOM 1348 C GLN A 93 12.257 -1.001 -7.965 1.00 0.00 C ATOM 1349 O GLN A 93 12.554 0.171 -8.095 1.00 0.00 O ATOM 1350 CB GLN A 93 12.990 -2.640 -9.706 1.00 0.00 C ATOM 1351 CG GLN A 93 11.715 -3.476 -9.715 1.00 0.00 C ATOM 1352 CD GLN A 93 11.543 -4.125 -11.089 1.00 0.00 C ATOM 1353 OE1 GLN A 93 12.508 -4.519 -11.714 1.00 0.00 O ATOM 1354 NE2 GLN A 93 10.345 -4.253 -11.592 1.00 0.00 N ATOM 0 H GLN A 93 12.861 -4.107 -7.649 1.00 0.00 H new ATOM 0 HA GLN A 93 14.273 -1.714 -8.271 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.895 -1.810 -10.406 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.833 -3.244 -10.040 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.764 -4.243 -8.942 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.854 -2.848 -9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.534 -3.923 -11.069 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.220 -4.683 -12.508 1.00 0.00 H new ATOM 1363 N LEU A 94 11.084 -1.351 -7.498 1.00 0.00 N ATOM 1364 CA LEU A 94 10.112 -0.289 -7.131 1.00 0.00 C ATOM 1365 C LEU A 94 10.644 0.399 -5.880 1.00 0.00 C ATOM 1366 O LEU A 94 10.209 1.462 -5.503 1.00 0.00 O ATOM 1367 CB LEU A 94 8.735 -0.885 -6.825 1.00 0.00 C ATOM 1368 CG LEU A 94 8.100 -1.460 -8.103 1.00 0.00 C ATOM 1369 CD1 LEU A 94 6.984 -2.438 -7.722 1.00 0.00 C ATOM 1370 CD2 LEU A 94 7.513 -0.329 -8.965 1.00 0.00 C ATOM 0 H LEU A 94 10.766 -2.310 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 94 10.000 0.410 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.831 -1.670 -6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.086 -0.118 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 94 8.869 -1.979 -8.675 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.533 -2.846 -8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.400 -3.250 -7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.224 -1.915 -7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.067 -0.752 -9.866 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.749 0.202 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.306 0.365 -9.244 1.00 0.00 H new ATOM 1382 N LYS A 95 11.601 -0.195 -5.232 1.00 0.00 N ATOM 1383 CA LYS A 95 12.164 0.452 -4.020 1.00 0.00 C ATOM 1384 C LYS A 95 13.062 1.612 -4.474 1.00 0.00 C ATOM 1385 O LYS A 95 12.884 2.748 -4.078 1.00 0.00 O ATOM 1386 CB LYS A 95 12.977 -0.585 -3.222 1.00 0.00 C ATOM 1387 CG LYS A 95 13.006 -0.219 -1.732 1.00 0.00 C ATOM 1388 CD LYS A 95 13.790 1.083 -1.527 1.00 0.00 C ATOM 1389 CE LYS A 95 14.066 1.281 -0.031 1.00 0.00 C ATOM 1390 NZ LYS A 95 14.937 0.181 0.471 1.00 0.00 N ATOM 0 H LYS A 95 12.015 -1.092 -5.485 1.00 0.00 H new ATOM 0 HA LYS A 95 11.371 0.834 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 95 12.539 -1.575 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.995 -0.634 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.989 -0.104 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 95 13.467 -1.024 -1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.729 1.046 -2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 95 13.223 1.928 -1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.549 2.244 0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 95 13.127 1.295 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.509 0.527 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 14.345 -0.613 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.565 -0.140 -0.293 1.00 0.00 H new ATOM 1404 N THR A 96 14.033 1.327 -5.301 1.00 0.00 N ATOM 1405 CA THR A 96 14.961 2.385 -5.784 1.00 0.00 C ATOM 1406 C THR A 96 14.273 3.310 -6.806 1.00 0.00 C ATOM 1407 O THR A 96 14.888 4.218 -7.329 1.00 0.00 O ATOM 1408 CB THR A 96 16.181 1.697 -6.425 1.00 0.00 C ATOM 1409 OG1 THR A 96 16.331 0.401 -5.856 1.00 0.00 O ATOM 1410 CG2 THR A 96 17.450 2.513 -6.165 1.00 0.00 C ATOM 0 H THR A 96 14.223 0.393 -5.665 1.00 0.00 H new ATOM 0 HA THR A 96 15.271 3.006 -4.943 1.00 0.00 H new ATOM 0 HB THR A 96 16.026 1.622 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 96 17.104 -0.046 -6.259 1.00 0.00 H new ATOM 0 HG21 THR A 96 18.304 2.014 -6.624 1.00 0.00 H new ATOM 0 HG22 THR A 96 17.337 3.508 -6.595 1.00 0.00 H new ATOM 0 HG23 THR A 96 17.614 2.598 -5.091 1.00 0.00 H new ATOM 1418 N THR A 97 13.013 3.096 -7.105 1.00 0.00 N ATOM 1419 CA THR A 97 12.316 3.971 -8.094 1.00 0.00 C ATOM 1420 C THR A 97 10.877 4.212 -7.618 1.00 0.00 C ATOM 1421 O THR A 97 10.360 5.308 -7.703 1.00 0.00 O ATOM 1422 CB THR A 97 12.325 3.265 -9.464 1.00 0.00 C ATOM 1423 OG1 THR A 97 13.562 3.519 -10.113 1.00 0.00 O ATOM 1424 CG2 THR A 97 11.183 3.770 -10.349 1.00 0.00 C ATOM 0 H THR A 97 12.440 2.353 -6.706 1.00 0.00 H new ATOM 0 HA THR A 97 12.820 4.933 -8.185 1.00 0.00 H new ATOM 0 HB THR A 97 12.193 2.195 -9.302 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.223 3.814 -9.453 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.212 3.256 -11.310 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.229 3.572 -9.860 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.293 4.843 -10.508 1.00 0.00 H new ATOM 1432 N GLY A 98 10.239 3.195 -7.116 1.00 0.00 N ATOM 1433 CA GLY A 98 8.836 3.347 -6.626 1.00 0.00 C ATOM 1434 C GLY A 98 8.861 3.918 -5.205 1.00 0.00 C ATOM 1435 O GLY A 98 8.395 3.300 -4.269 1.00 0.00 O ATOM 0 H GLY A 98 10.629 2.257 -7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.276 4.008 -7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.328 2.383 -6.635 1.00 0.00 H new ATOM 1439 N ARG A 99 9.422 5.085 -5.030 1.00 0.00 N ATOM 1440 CA ARG A 99 9.497 5.684 -3.668 1.00 0.00 C ATOM 1441 C ARG A 99 8.166 6.360 -3.311 1.00 0.00 C ATOM 1442 O ARG A 99 7.992 6.868 -2.220 1.00 0.00 O ATOM 1443 CB ARG A 99 10.632 6.717 -3.640 1.00 0.00 C ATOM 1444 CG ARG A 99 10.825 7.248 -2.211 1.00 0.00 C ATOM 1445 CD ARG A 99 12.228 7.841 -2.060 1.00 0.00 C ATOM 1446 NE ARG A 99 13.242 6.755 -2.192 1.00 0.00 N ATOM 1447 CZ ARG A 99 14.498 7.054 -2.388 1.00 0.00 C ATOM 1448 NH1 ARG A 99 14.884 8.298 -2.355 1.00 0.00 N ATOM 1449 NH2 ARG A 99 15.371 6.107 -2.593 1.00 0.00 N ATOM 0 H ARG A 99 9.832 5.649 -5.774 1.00 0.00 H new ATOM 0 HA ARG A 99 9.693 4.900 -2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.557 6.263 -3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.401 7.541 -4.315 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.074 8.007 -1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 99 10.682 6.441 -1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.396 8.604 -2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.326 8.329 -1.090 1.00 0.00 H new ATOM 0 HE ARG A 99 12.954 5.778 -2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.205 9.038 -2.176 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.865 8.532 -2.508 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.073 5.132 -2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.352 6.342 -2.746 1.00 0.00 H new ATOM 1463 N ALA A 100 7.219 6.370 -4.208 1.00 0.00 N ATOM 1464 CA ALA A 100 5.914 7.012 -3.889 1.00 0.00 C ATOM 1465 C ALA A 100 6.130 8.519 -3.712 1.00 0.00 C ATOM 1466 O ALA A 100 5.208 9.272 -3.462 1.00 0.00 O ATOM 1467 CB ALA A 100 5.356 6.392 -2.598 1.00 0.00 C ATOM 0 H ALA A 100 7.291 5.965 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 100 5.201 6.850 -4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.400 6.856 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 100 5.214 5.321 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.058 6.559 -1.781 1.00 0.00 H new ATOM 1473 N GLY A 101 7.349 8.961 -3.852 1.00 0.00 N ATOM 1474 CA GLY A 101 7.644 10.413 -3.710 1.00 0.00 C ATOM 1475 C GLY A 101 7.520 10.836 -2.245 1.00 0.00 C ATOM 1476 O GLY A 101 6.978 11.879 -1.937 1.00 0.00 O ATOM 0 H GLY A 101 8.157 8.375 -4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.650 10.625 -4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.955 10.993 -4.323 1.00 0.00 H new ATOM 1480 N ASN A 102 8.022 10.040 -1.340 1.00 0.00 N ATOM 1481 CA ASN A 102 7.937 10.398 0.106 1.00 0.00 C ATOM 1482 C ASN A 102 9.063 11.377 0.455 1.00 0.00 C ATOM 1483 O ASN A 102 9.453 11.502 1.598 1.00 0.00 O ATOM 1484 CB ASN A 102 8.083 9.124 0.949 1.00 0.00 C ATOM 1485 CG ASN A 102 7.510 9.352 2.353 1.00 0.00 C ATOM 1486 OD1 ASN A 102 6.919 8.463 2.931 1.00 0.00 O ATOM 1487 ND2 ASN A 102 7.669 10.509 2.934 1.00 0.00 N ATOM 0 H ASN A 102 8.488 9.155 -1.540 1.00 0.00 H new ATOM 0 HA ASN A 102 6.975 10.866 0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 102 7.563 8.297 0.465 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.134 8.843 1.018 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.297 10.665 3.871 1.00 0.00 H new ATOM 0 HD22 ASN A 102 8.165 11.258 2.451 1.00 0.00 H new ATOM 1494 N GLN A 103 9.585 12.066 -0.526 1.00 0.00 N ATOM 1495 CA GLN A 103 10.687 13.045 -0.284 1.00 0.00 C ATOM 1496 C GLN A 103 10.242 14.421 -0.759 1.00 0.00 C ATOM 1497 O GLN A 103 10.735 15.438 -0.313 1.00 0.00 O ATOM 1498 CB GLN A 103 11.914 12.627 -1.092 1.00 0.00 C ATOM 1499 CG GLN A 103 13.121 13.472 -0.668 1.00 0.00 C ATOM 1500 CD GLN A 103 14.322 13.157 -1.569 1.00 0.00 C ATOM 1501 OE1 GLN A 103 15.268 12.524 -1.142 1.00 0.00 O ATOM 1502 NE2 GLN A 103 14.324 13.579 -2.804 1.00 0.00 N ATOM 0 H GLN A 103 9.290 11.991 -1.499 1.00 0.00 H new ATOM 0 HA GLN A 103 10.927 13.072 0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 103 12.124 11.569 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 103 11.722 12.757 -2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 103 12.875 14.532 -0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 103 13.372 13.266 0.373 1.00 0.00 H new ATOM 0 HE21 GLN A 103 13.531 14.110 -3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 103 15.119 13.378 -3.410 1.00 0.00 H new ATOM 1511 N LYS A 104 9.315 14.457 -1.674 1.00 0.00 N ATOM 1512 CA LYS A 104 8.834 15.759 -2.201 1.00 0.00 C ATOM 1513 C LYS A 104 7.689 16.260 -1.319 1.00 0.00 C ATOM 1514 O LYS A 104 7.856 17.129 -0.488 1.00 0.00 O ATOM 1515 CB LYS A 104 8.327 15.568 -3.644 1.00 0.00 C ATOM 1516 CG LYS A 104 7.485 16.783 -4.077 1.00 0.00 C ATOM 1517 CD LYS A 104 7.295 16.775 -5.595 1.00 0.00 C ATOM 1518 CE LYS A 104 6.690 18.110 -6.036 1.00 0.00 C ATOM 1519 NZ LYS A 104 7.631 19.213 -5.706 1.00 0.00 N ATOM 0 H LYS A 104 8.869 13.635 -2.080 1.00 0.00 H new ATOM 0 HA LYS A 104 9.647 16.485 -2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.172 15.442 -4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.728 14.659 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.515 16.759 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.977 17.705 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.252 16.614 -6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 104 6.642 15.953 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.491 18.095 -7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.734 18.271 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.718 19.851 -6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.270 19.744 -4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.564 18.816 -5.476 1.00 0.00 H new ATOM 1533 N GLY A 105 6.517 15.723 -1.514 1.00 0.00 N ATOM 1534 CA GLY A 105 5.341 16.160 -0.716 1.00 0.00 C ATOM 1535 C GLY A 105 5.222 15.297 0.540 1.00 0.00 C ATOM 1536 O GLY A 105 4.152 14.849 0.902 1.00 0.00 O ATOM 0 H GLY A 105 6.323 14.993 -2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.446 17.209 -0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.433 16.077 -1.313 1.00 0.00 H new ATOM 1540 N GLY A 106 6.322 15.066 1.210 1.00 0.00 N ATOM 1541 CA GLY A 106 6.299 14.240 2.451 1.00 0.00 C ATOM 1542 C GLY A 106 6.246 15.171 3.662 1.00 0.00 C ATOM 1543 O GLY A 106 6.089 16.364 3.460 1.00 0.00 O ATOM 1544 OXT GLY A 106 6.365 14.676 4.771 1.00 0.00 O ATOM 0 H GLY A 106 7.242 15.418 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.434 13.577 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.185 13.608 2.500 1.00 0.00 H new TER 1548 GLY A 106