USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 617 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 7 ASN :FLIP amide:sc= -1.41! C(o=-9.5!,f=-7.1!) USER MOD Set 1.2: A 10 THR OG1 : rot -110:sc= -2.48! USER MOD Set 1.3: A 14 TYR OH : rot 39:sc= 0.922 USER MOD Set 1.4: A 36 CYS SG : rot -30:sc= -4.15! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.61 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -140:sc= -0.0981 (180deg=-1.3) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.959 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.572 F(o=-2.3!,f=-0.57) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 42:sc= 1.22 USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 1.3 (180deg=1.1) USER MOD Single : A 43 HIS : no HD1:sc= -8.01! C(o=-8!,f=-10!) USER MOD Single : A 46 TYR OH : rot 0:sc= -0.368 USER MOD Single : A 47 TYR OH : rot -23:sc= 0.959 USER MOD Single : A 48 ASN : amide:sc= 0.579 K(o=0.58,f=-0.096) USER MOD Single : A 49 MET CE :methyl -164:sc= -0.044 (180deg=-0.346) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.14 K(o=1.1,f=-0.23) USER MOD Single : A 57 THR OG1 : rot 9:sc= 0.957 USER MOD Single : A 58 GLN : amide:sc= -0.7 X(o=-0.7,f=-1.1) USER MOD Single : A 59 SER OG : rot 92:sc= 1.07 USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= -0.0972 (180deg=-0.477) USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= -0.119 (180deg=-0.743) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= 1.18 (180deg=0.497) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 -11.448 3.326 -5.425 1.00 0.00 N ATOM 2 CA ASP A 2 -11.359 1.901 -5.667 1.00 0.00 C ATOM 3 C ASP A 2 -9.915 1.548 -6.032 1.00 0.00 C ATOM 4 O ASP A 2 -9.589 1.383 -7.207 1.00 0.00 O ATOM 5 CB ASP A 2 -12.297 1.470 -6.805 1.00 0.00 C ATOM 6 CG ASP A 2 -13.769 1.637 -6.484 1.00 0.00 C ATOM 7 OD1 ASP A 2 -14.313 0.821 -5.713 1.00 0.00 O ATOM 8 OD2 ASP A 2 -14.395 2.577 -7.030 1.00 0.00 O ATOM 0 HA ASP A 2 -11.661 1.374 -4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.061 2.051 -7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.104 0.425 -7.046 1.00 0.00 H new ATOM 13 N LEU A 3 -9.044 1.411 -5.034 1.00 0.00 N ATOM 14 CA LEU A 3 -7.624 1.245 -5.305 1.00 0.00 C ATOM 15 C LEU A 3 -7.234 -0.224 -5.283 1.00 0.00 C ATOM 16 O LEU A 3 -7.888 -1.043 -4.638 1.00 0.00 O ATOM 17 CB LEU A 3 -6.758 2.026 -4.316 1.00 0.00 C ATOM 18 CG LEU A 3 -6.254 1.230 -3.119 1.00 0.00 C ATOM 19 CD1 LEU A 3 -5.027 1.897 -2.527 1.00 0.00 C ATOM 20 CD2 LEU A 3 -7.338 1.090 -2.073 1.00 0.00 C ATOM 0 H LEU A 3 -9.295 1.412 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.444 1.647 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.898 2.429 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.332 2.877 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.980 0.231 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.676 1.319 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.240 1.946 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.282 2.906 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.956 0.518 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.645 2.079 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.195 0.572 -2.504 1.00 0.00 H new ATOM 32 N THR A 4 -6.172 -0.546 -6.003 1.00 0.00 N ATOM 33 CA THR A 4 -5.824 -1.913 -6.282 1.00 0.00 C ATOM 34 C THR A 4 -4.622 -2.311 -5.478 1.00 0.00 C ATOM 35 O THR A 4 -3.561 -1.736 -5.635 1.00 0.00 O ATOM 36 CB THR A 4 -5.433 -2.062 -7.749 1.00 0.00 C ATOM 37 OG1 THR A 4 -6.363 -1.343 -8.580 1.00 0.00 O ATOM 38 CG2 THR A 4 -5.391 -3.527 -8.160 1.00 0.00 C ATOM 0 H THR A 4 -5.533 0.139 -6.406 1.00 0.00 H new ATOM 0 HA THR A 4 -6.686 -2.534 -6.037 1.00 0.00 H new ATOM 0 HB THR A 4 -4.434 -1.645 -7.880 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.105 -1.441 -9.520 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.110 -3.602 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.659 -4.055 -7.549 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.375 -3.974 -8.015 1.00 0.00 H new ATOM 46 N ILE A 5 -4.737 -3.269 -4.624 1.00 0.00 N ATOM 47 CA ILE A 5 -3.549 -3.735 -3.978 1.00 0.00 C ATOM 48 C ILE A 5 -3.038 -4.979 -4.654 1.00 0.00 C ATOM 49 O ILE A 5 -3.803 -5.838 -5.068 1.00 0.00 O ATOM 50 CB ILE A 5 -3.728 -3.978 -2.484 1.00 0.00 C ATOM 51 CG1 ILE A 5 -4.099 -2.676 -1.819 1.00 0.00 C ATOM 52 CG2 ILE A 5 -2.449 -4.515 -1.879 1.00 0.00 C ATOM 53 CD1 ILE A 5 -5.568 -2.350 -1.884 1.00 0.00 C ATOM 0 H ILE A 5 -5.606 -3.734 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.813 -2.937 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.517 -4.714 -2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.792 -2.714 -0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.537 -1.868 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.594 -4.683 -0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.185 -5.456 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.646 -3.793 -2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.752 -1.399 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.879 -2.278 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.138 -3.137 -1.389 1.00 0.00 H new ATOM 65 N SER A 6 -1.744 -5.060 -4.784 1.00 0.00 N ATOM 66 CA SER A 6 -1.138 -6.214 -5.382 1.00 0.00 C ATOM 67 C SER A 6 -0.067 -6.739 -4.481 1.00 0.00 C ATOM 68 O SER A 6 0.847 -6.028 -4.113 1.00 0.00 O ATOM 69 CB SER A 6 -0.538 -5.890 -6.727 1.00 0.00 C ATOM 70 OG SER A 6 -0.608 -4.498 -6.993 1.00 0.00 O ATOM 0 H SER A 6 -1.088 -4.339 -4.483 1.00 0.00 H new ATOM 0 HA SER A 6 -1.915 -6.965 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.501 -6.217 -6.754 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.065 -6.440 -7.506 1.00 0.00 H new ATOM 0 HG SER A 6 -0.211 -4.312 -7.870 1.00 0.00 H new ATOM 76 N ASN A 7 -0.194 -7.978 -4.138 1.00 0.00 N ATOM 77 CA ASN A 7 0.743 -8.653 -3.305 1.00 0.00 C ATOM 78 C ASN A 7 1.939 -9.032 -4.167 1.00 0.00 C ATOM 79 O ASN A 7 1.908 -10.036 -4.860 1.00 0.00 O ATOM 80 CB ASN A 7 0.037 -9.877 -2.722 1.00 0.00 C ATOM 81 CG ASN A 7 0.296 -10.065 -1.266 1.00 0.00 C ATOM 82 OD1 ASN A 7 1.425 -9.610 -0.814 1.00 0.00 O flip ATOM 83 ND2 ASN A 7 -0.495 -10.656 -0.556 1.00 0.00 N flip ATOM 0 H ASN A 7 -0.973 -8.564 -4.438 1.00 0.00 H new ATOM 0 HA ASN A 7 1.101 -8.036 -2.480 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -1.037 -9.781 -2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.362 -10.767 -3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.373 -10.999 -0.946 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.281 -10.808 0.430 1.00 0.00 H new ATOM 90 N GLU A 8 2.988 -8.212 -4.120 1.00 0.00 N ATOM 91 CA GLU A 8 4.109 -8.311 -5.117 1.00 0.00 C ATOM 92 C GLU A 8 4.761 -9.687 -5.123 1.00 0.00 C ATOM 93 O GLU A 8 5.175 -10.199 -6.162 1.00 0.00 O ATOM 94 CB GLU A 8 5.238 -7.303 -4.850 1.00 0.00 C ATOM 95 CG GLU A 8 5.006 -5.905 -5.365 1.00 0.00 C ATOM 96 CD GLU A 8 5.687 -5.669 -6.695 1.00 0.00 C ATOM 97 OE1 GLU A 8 5.214 -6.202 -7.716 1.00 0.00 O ATOM 98 OE2 GLU A 8 6.702 -4.947 -6.722 1.00 0.00 O ATOM 0 H GLU A 8 3.106 -7.476 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 8 3.630 -8.102 -6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.405 -7.250 -3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.155 -7.687 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.935 -5.731 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.376 -5.184 -4.636 1.00 0.00 H new ATOM 105 N LEU A 9 4.849 -10.266 -3.953 1.00 0.00 N ATOM 106 CA LEU A 9 5.645 -11.461 -3.728 1.00 0.00 C ATOM 107 C LEU A 9 4.816 -12.695 -3.991 1.00 0.00 C ATOM 108 O LEU A 9 5.268 -13.693 -4.544 1.00 0.00 O ATOM 109 CB LEU A 9 6.079 -11.467 -2.274 1.00 0.00 C ATOM 110 CG LEU A 9 7.172 -10.467 -1.881 1.00 0.00 C ATOM 111 CD1 LEU A 9 7.636 -10.738 -0.460 1.00 0.00 C ATOM 112 CD2 LEU A 9 8.346 -10.529 -2.851 1.00 0.00 C ATOM 0 H LEU A 9 4.370 -9.925 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 9 6.506 -11.462 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.202 -11.274 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.429 -12.469 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 9 6.754 -9.462 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.413 -10.023 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.793 -10.636 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.035 -11.750 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.107 -9.809 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.772 -11.532 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.000 -10.290 -3.857 1.00 0.00 H new ATOM 124 N THR A 10 3.580 -12.562 -3.599 1.00 0.00 N ATOM 125 CA THR A 10 2.605 -13.608 -3.576 1.00 0.00 C ATOM 126 C THR A 10 1.892 -13.673 -4.901 1.00 0.00 C ATOM 127 O THR A 10 1.390 -14.707 -5.337 1.00 0.00 O ATOM 128 CB THR A 10 1.649 -13.200 -2.471 1.00 0.00 C ATOM 129 OG1 THR A 10 2.049 -11.896 -2.069 1.00 0.00 O ATOM 130 CG2 THR A 10 1.756 -14.088 -1.275 1.00 0.00 C ATOM 0 H THR A 10 3.209 -11.671 -3.270 1.00 0.00 H new ATOM 0 HA THR A 10 3.039 -14.593 -3.404 1.00 0.00 H new ATOM 0 HB THR A 10 0.625 -13.256 -2.841 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.441 -11.936 -1.172 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.053 -13.756 -0.511 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.524 -15.114 -1.561 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.770 -14.043 -0.878 1.00 0.00 H new ATOM 138 N GLY A 11 1.879 -12.521 -5.513 1.00 0.00 N ATOM 139 CA GLY A 11 1.295 -12.355 -6.835 1.00 0.00 C ATOM 140 C GLY A 11 -0.211 -12.217 -6.779 1.00 0.00 C ATOM 141 O GLY A 11 -0.898 -12.318 -7.796 1.00 0.00 O ATOM 0 H GLY A 11 2.270 -11.666 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.722 -11.472 -7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.557 -13.211 -7.457 1.00 0.00 H new ATOM 145 N GLU A 12 -0.718 -12.004 -5.578 1.00 0.00 N ATOM 146 CA GLU A 12 -2.116 -11.874 -5.355 1.00 0.00 C ATOM 147 C GLU A 12 -2.559 -10.494 -5.699 1.00 0.00 C ATOM 148 O GLU A 12 -1.781 -9.545 -5.710 1.00 0.00 O ATOM 149 CB GLU A 12 -2.485 -12.147 -3.914 1.00 0.00 C ATOM 150 CG GLU A 12 -1.978 -13.474 -3.388 1.00 0.00 C ATOM 151 CD GLU A 12 -2.860 -14.018 -2.290 1.00 0.00 C ATOM 152 OE1 GLU A 12 -2.780 -13.518 -1.152 1.00 0.00 O ATOM 153 OE2 GLU A 12 -3.640 -14.949 -2.566 1.00 0.00 O ATOM 0 H GLU A 12 -0.152 -11.918 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.612 -12.609 -5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.089 -11.346 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.570 -12.120 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.930 -14.194 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.963 -13.351 -3.011 1.00 0.00 H new ATOM 160 N ILE A 13 -3.825 -10.409 -5.901 1.00 0.00 N ATOM 161 CA ILE A 13 -4.469 -9.194 -6.366 1.00 0.00 C ATOM 162 C ILE A 13 -5.719 -8.911 -5.558 1.00 0.00 C ATOM 163 O ILE A 13 -6.655 -9.709 -5.516 1.00 0.00 O ATOM 164 CB ILE A 13 -4.838 -9.241 -7.865 1.00 0.00 C ATOM 165 CG1 ILE A 13 -3.603 -9.522 -8.719 1.00 0.00 C ATOM 166 CG2 ILE A 13 -5.469 -7.922 -8.284 1.00 0.00 C ATOM 167 CD1 ILE A 13 -2.437 -8.624 -8.380 1.00 0.00 C ATOM 0 H ILE A 13 -4.470 -11.185 -5.751 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.741 -8.395 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.554 -10.049 -8.019 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.305 -10.562 -8.586 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.859 -9.396 -9.771 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.727 -7.962 -9.342 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.371 -7.747 -7.697 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.762 -7.110 -8.113 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.590 -8.871 -9.019 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.721 -7.584 -8.539 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.158 -8.768 -7.336 1.00 0.00 H new ATOM 179 N TYR A 14 -5.701 -7.773 -4.908 1.00 0.00 N ATOM 180 CA TYR A 14 -6.797 -7.321 -4.066 1.00 0.00 C ATOM 181 C TYR A 14 -7.574 -6.225 -4.755 1.00 0.00 C ATOM 182 O TYR A 14 -7.014 -5.436 -5.524 1.00 0.00 O ATOM 183 CB TYR A 14 -6.185 -6.853 -2.773 1.00 0.00 C ATOM 184 CG TYR A 14 -5.431 -7.915 -2.183 1.00 0.00 C ATOM 185 CD1 TYR A 14 -5.942 -9.190 -1.990 1.00 0.00 C ATOM 186 CD2 TYR A 14 -4.187 -7.647 -1.881 1.00 0.00 C ATOM 187 CE1 TYR A 14 -5.145 -10.169 -1.464 1.00 0.00 C ATOM 188 CE2 TYR A 14 -3.396 -8.557 -1.393 1.00 0.00 C ATOM 189 CZ TYR A 14 -3.851 -9.849 -1.162 1.00 0.00 C ATOM 190 OH TYR A 14 -3.024 -10.806 -0.637 1.00 0.00 O ATOM 0 H TYR A 14 -4.917 -7.121 -4.945 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.510 -8.122 -3.871 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.540 -5.994 -2.955 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.966 -6.525 -2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.966 -9.409 -2.254 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.808 -6.648 -2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.527 -11.165 -1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.371 -8.305 -1.164 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.205 -11.667 -1.068 1.00 0.00 H new ATOM 200 N GLY A 15 -8.837 -6.135 -4.406 1.00 0.00 N ATOM 201 CA GLY A 15 -9.787 -5.464 -5.249 1.00 0.00 C ATOM 202 C GLY A 15 -10.041 -4.042 -4.855 1.00 0.00 C ATOM 203 O GLY A 15 -9.426 -3.530 -3.920 1.00 0.00 O ATOM 0 H GLY A 15 -9.225 -6.519 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.428 -5.488 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.729 -6.012 -5.228 1.00 0.00 H new ATOM 207 N PRO A 16 -10.967 -3.392 -5.565 1.00 0.00 N ATOM 208 CA PRO A 16 -11.221 -1.957 -5.448 1.00 0.00 C ATOM 209 C PRO A 16 -11.664 -1.573 -4.050 1.00 0.00 C ATOM 210 O PRO A 16 -12.812 -1.767 -3.649 1.00 0.00 O ATOM 211 CB PRO A 16 -12.348 -1.729 -6.446 1.00 0.00 C ATOM 212 CG PRO A 16 -13.034 -3.031 -6.451 1.00 0.00 C ATOM 213 CD PRO A 16 -11.915 -4.016 -6.496 1.00 0.00 C ATOM 0 HA PRO A 16 -10.331 -1.358 -5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.011 -0.922 -6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.969 -1.466 -7.434 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.649 -3.163 -5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.693 -3.134 -7.313 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.224 -5.009 -6.169 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.500 -4.126 -7.498 1.00 0.00 H new ATOM 221 N ILE A 17 -10.729 -1.045 -3.318 1.00 0.00 N ATOM 222 CA ILE A 17 -10.980 -0.598 -1.979 1.00 0.00 C ATOM 223 C ILE A 17 -11.350 0.862 -1.961 1.00 0.00 C ATOM 224 O ILE A 17 -10.703 1.698 -2.603 1.00 0.00 O ATOM 225 CB ILE A 17 -9.777 -0.848 -1.072 1.00 0.00 C ATOM 226 CG1 ILE A 17 -9.730 -2.332 -0.737 1.00 0.00 C ATOM 227 CG2 ILE A 17 -9.843 0.024 0.180 1.00 0.00 C ATOM 228 CD1 ILE A 17 -8.659 -2.703 0.261 1.00 0.00 C ATOM 0 H ILE A 17 -9.768 -0.911 -3.633 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.820 -1.176 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.856 -0.571 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.700 -2.636 -0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.568 -2.896 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.974 -0.174 0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.850 1.075 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -10.752 -0.205 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.691 -3.777 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.681 -2.432 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.831 -2.168 1.195 1.00 0.00 H new ATOM 240 N GLU A 18 -12.389 1.154 -1.217 1.00 0.00 N ATOM 241 CA GLU A 18 -12.857 2.511 -1.076 1.00 0.00 C ATOM 242 C GLU A 18 -11.966 3.257 -0.101 1.00 0.00 C ATOM 243 O GLU A 18 -11.997 2.991 1.100 1.00 0.00 O ATOM 244 CB GLU A 18 -14.305 2.534 -0.581 1.00 0.00 C ATOM 245 CG GLU A 18 -14.884 3.933 -0.452 1.00 0.00 C ATOM 246 CD GLU A 18 -16.185 3.949 0.316 1.00 0.00 C ATOM 247 OE1 GLU A 18 -16.139 4.045 1.557 1.00 0.00 O ATOM 248 OE2 GLU A 18 -17.258 3.857 -0.312 1.00 0.00 O ATOM 0 H GLU A 18 -12.930 0.464 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.819 2.998 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.924 1.956 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.356 2.038 0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.162 4.578 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -15.047 4.349 -1.446 1.00 0.00 H new ATOM 255 N VAL A 19 -11.166 4.181 -0.607 1.00 0.00 N ATOM 256 CA VAL A 19 -10.378 5.007 0.278 1.00 0.00 C ATOM 257 C VAL A 19 -10.977 6.379 0.391 1.00 0.00 C ATOM 258 O VAL A 19 -11.352 7.028 -0.591 1.00 0.00 O ATOM 259 CB VAL A 19 -8.892 5.123 -0.124 1.00 0.00 C ATOM 260 CG1 VAL A 19 -8.420 3.823 -0.688 1.00 0.00 C ATOM 261 CG2 VAL A 19 -8.607 6.268 -1.085 1.00 0.00 C ATOM 0 H VAL A 19 -11.049 4.372 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.400 4.502 1.244 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.335 5.357 0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.371 3.909 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.531 3.039 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.013 3.571 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.543 6.287 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.181 6.126 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.892 7.212 -0.621 1.00 0.00 H new ATOM 271 N SER A 20 -11.123 6.764 1.616 1.00 0.00 N ATOM 272 CA SER A 20 -11.654 8.054 1.962 1.00 0.00 C ATOM 273 C SER A 20 -10.526 8.922 2.444 1.00 0.00 C ATOM 274 O SER A 20 -9.637 8.454 3.138 1.00 0.00 O ATOM 275 CB SER A 20 -12.710 7.906 3.054 1.00 0.00 C ATOM 276 OG SER A 20 -13.253 9.165 3.418 1.00 0.00 O ATOM 0 H SER A 20 -10.875 6.188 2.421 1.00 0.00 H new ATOM 0 HA SER A 20 -12.123 8.511 1.091 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.508 7.250 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.267 7.431 3.930 1.00 0.00 H new ATOM 0 HG SER A 20 -13.928 9.040 4.118 1.00 0.00 H new ATOM 282 N GLU A 21 -10.597 10.187 2.092 1.00 0.00 N ATOM 283 CA GLU A 21 -9.541 11.145 2.361 1.00 0.00 C ATOM 284 C GLU A 21 -9.249 11.227 3.852 1.00 0.00 C ATOM 285 O GLU A 21 -8.129 11.533 4.266 1.00 0.00 O ATOM 286 CB GLU A 21 -10.003 12.492 1.834 1.00 0.00 C ATOM 287 CG GLU A 21 -11.223 13.028 2.571 1.00 0.00 C ATOM 288 CD GLU A 21 -11.856 14.221 1.897 1.00 0.00 C ATOM 289 OE1 GLU A 21 -12.565 14.029 0.885 1.00 0.00 O ATOM 290 OE2 GLU A 21 -11.677 15.348 2.395 1.00 0.00 O ATOM 0 H GLU A 21 -11.399 10.587 1.605 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.618 10.837 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.187 13.210 1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.236 12.401 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.964 12.233 2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.933 13.305 3.585 1.00 0.00 H new ATOM 297 N ASP A 22 -10.277 10.950 4.637 1.00 0.00 N ATOM 298 CA ASP A 22 -10.200 11.027 6.085 1.00 0.00 C ATOM 299 C ASP A 22 -9.421 9.863 6.705 1.00 0.00 C ATOM 300 O ASP A 22 -8.984 9.965 7.853 1.00 0.00 O ATOM 301 CB ASP A 22 -11.617 11.074 6.664 1.00 0.00 C ATOM 302 CG ASP A 22 -11.634 11.265 8.167 1.00 0.00 C ATOM 303 OD1 ASP A 22 -11.482 12.421 8.619 1.00 0.00 O ATOM 304 OD2 ASP A 22 -11.810 10.268 8.898 1.00 0.00 O ATOM 0 H ASP A 22 -11.191 10.665 4.286 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.654 11.937 6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.170 11.887 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.137 10.149 6.414 1.00 0.00 H new ATOM 309 N MET A 23 -9.210 8.767 5.969 1.00 0.00 N ATOM 310 CA MET A 23 -8.608 7.616 6.539 1.00 0.00 C ATOM 311 C MET A 23 -7.133 7.852 6.715 1.00 0.00 C ATOM 312 O MET A 23 -6.518 8.677 6.043 1.00 0.00 O ATOM 313 CB MET A 23 -8.911 6.409 5.647 1.00 0.00 C ATOM 314 CG MET A 23 -7.785 5.403 5.475 1.00 0.00 C ATOM 315 SD MET A 23 -8.237 4.023 4.405 1.00 0.00 S ATOM 316 CE MET A 23 -9.542 3.255 5.360 1.00 0.00 C ATOM 0 H MET A 23 -9.455 8.679 4.983 1.00 0.00 H new ATOM 0 HA MET A 23 -9.017 7.411 7.528 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.776 5.888 6.057 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.197 6.775 4.661 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.913 5.908 5.060 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.495 5.019 6.453 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.448 2.171 5.298 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.463 3.567 6.401 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.511 3.559 4.963 1.00 0.00 H new ATOM 326 N ALA A 24 -6.591 7.158 7.651 1.00 0.00 N ATOM 327 CA ALA A 24 -5.179 7.182 7.864 1.00 0.00 C ATOM 328 C ALA A 24 -4.581 6.157 6.943 1.00 0.00 C ATOM 329 O ALA A 24 -5.083 5.038 6.857 1.00 0.00 O ATOM 330 CB ALA A 24 -4.861 6.880 9.317 1.00 0.00 C ATOM 0 H ALA A 24 -7.108 6.557 8.293 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.762 8.166 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.781 6.902 9.465 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.330 7.629 9.955 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.243 5.892 9.575 1.00 0.00 H new ATOM 336 N LEU A 25 -3.539 6.536 6.224 1.00 0.00 N ATOM 337 CA LEU A 25 -2.854 5.616 5.357 1.00 0.00 C ATOM 338 C LEU A 25 -2.399 4.430 6.181 1.00 0.00 C ATOM 339 O LEU A 25 -2.184 3.353 5.661 1.00 0.00 O ATOM 340 CB LEU A 25 -1.665 6.299 4.695 1.00 0.00 C ATOM 341 CG LEU A 25 -0.578 6.759 5.660 1.00 0.00 C ATOM 342 CD1 LEU A 25 0.706 7.031 4.922 1.00 0.00 C ATOM 343 CD2 LEU A 25 -0.994 7.985 6.461 1.00 0.00 C ATOM 0 H LEU A 25 -3.154 7.480 6.229 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.525 5.278 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.224 5.612 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.024 7.162 4.135 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.419 5.946 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.469 7.358 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.039 6.121 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.540 7.811 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.185 8.272 7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.210 8.808 5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.885 7.753 7.044 1.00 0.00 H new ATOM 355 N THR A 26 -2.262 4.661 7.479 1.00 0.00 N ATOM 356 CA THR A 26 -1.982 3.626 8.432 1.00 0.00 C ATOM 357 C THR A 26 -3.142 2.650 8.632 1.00 0.00 C ATOM 358 O THR A 26 -2.921 1.464 8.772 1.00 0.00 O ATOM 359 CB THR A 26 -1.658 4.257 9.767 1.00 0.00 C ATOM 360 OG1 THR A 26 -1.986 5.656 9.723 1.00 0.00 O ATOM 361 CG2 THR A 26 -0.198 4.079 10.088 1.00 0.00 C ATOM 0 H THR A 26 -2.346 5.589 7.893 1.00 0.00 H new ATOM 0 HA THR A 26 -1.141 3.057 8.035 1.00 0.00 H new ATOM 0 HB THR A 26 -2.245 3.770 10.546 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.779 6.068 10.588 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.021 4.538 11.052 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.038 3.016 10.130 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.405 4.554 9.314 1.00 0.00 H new ATOM 369 N ASP A 27 -4.368 3.165 8.691 1.00 0.00 N ATOM 370 CA ASP A 27 -5.556 2.326 8.796 1.00 0.00 C ATOM 371 C ASP A 27 -5.672 1.505 7.529 1.00 0.00 C ATOM 372 O ASP A 27 -6.245 0.415 7.494 1.00 0.00 O ATOM 373 CB ASP A 27 -6.801 3.196 8.984 1.00 0.00 C ATOM 374 CG ASP A 27 -8.031 2.388 9.336 1.00 0.00 C ATOM 375 OD1 ASP A 27 -8.166 1.999 10.516 1.00 0.00 O ATOM 376 OD2 ASP A 27 -8.867 2.141 8.444 1.00 0.00 O ATOM 0 H ASP A 27 -4.564 4.166 8.668 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.473 1.665 9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.613 3.926 9.771 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.989 3.756 8.068 1.00 0.00 H new ATOM 381 N LEU A 28 -5.067 2.052 6.500 1.00 0.00 N ATOM 382 CA LEU A 28 -5.022 1.463 5.203 1.00 0.00 C ATOM 383 C LEU A 28 -3.973 0.333 5.201 1.00 0.00 C ATOM 384 O LEU A 28 -4.271 -0.807 4.843 1.00 0.00 O ATOM 385 CB LEU A 28 -4.719 2.618 4.248 1.00 0.00 C ATOM 386 CG LEU A 28 -4.746 2.303 2.773 1.00 0.00 C ATOM 387 CD1 LEU A 28 -3.448 1.644 2.411 1.00 0.00 C ATOM 388 CD2 LEU A 28 -5.933 1.419 2.432 1.00 0.00 C ATOM 0 H LEU A 28 -4.581 2.947 6.556 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.951 0.985 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.438 3.415 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.733 3.013 4.494 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.861 3.220 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.445 1.407 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.622 2.319 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.333 0.726 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.932 1.205 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.863 0.485 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.857 1.932 2.698 1.00 0.00 H new ATOM 400 N ILE A 29 -2.754 0.673 5.623 1.00 0.00 N ATOM 401 CA ILE A 29 -1.709 -0.274 5.963 1.00 0.00 C ATOM 402 C ILE A 29 -2.212 -1.344 6.936 1.00 0.00 C ATOM 403 O ILE A 29 -1.761 -2.483 6.907 1.00 0.00 O ATOM 404 CB ILE A 29 -0.537 0.477 6.638 1.00 0.00 C ATOM 405 CG1 ILE A 29 0.039 1.580 5.743 1.00 0.00 C ATOM 406 CG2 ILE A 29 0.539 -0.482 7.048 1.00 0.00 C ATOM 407 CD1 ILE A 29 0.075 1.237 4.276 1.00 0.00 C ATOM 0 H ILE A 29 -2.466 1.645 5.739 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.388 -0.758 5.041 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.938 0.961 7.529 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.552 2.486 5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.052 1.808 6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.354 0.066 7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.132 -1.206 7.753 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.915 -1.004 6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.497 2.073 3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.692 0.351 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.937 1.039 3.924 1.00 0.00 H new ATOM 419 N ALA A 30 -3.117 -0.954 7.809 1.00 0.00 N ATOM 420 CA ALA A 30 -3.732 -1.867 8.755 1.00 0.00 C ATOM 421 C ALA A 30 -4.410 -3.022 8.022 1.00 0.00 C ATOM 422 O ALA A 30 -4.140 -4.188 8.295 1.00 0.00 O ATOM 423 CB ALA A 30 -4.721 -1.104 9.633 1.00 0.00 C ATOM 0 H ALA A 30 -3.449 0.007 7.884 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.962 -2.296 9.397 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.182 -1.791 10.343 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.195 -0.319 10.177 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.493 -0.657 9.007 1.00 0.00 H new ATOM 429 N LEU A 31 -5.252 -2.676 7.052 1.00 0.00 N ATOM 430 CA LEU A 31 -5.936 -3.658 6.202 1.00 0.00 C ATOM 431 C LEU A 31 -4.948 -4.332 5.307 1.00 0.00 C ATOM 432 O LEU A 31 -5.113 -5.469 4.906 1.00 0.00 O ATOM 433 CB LEU A 31 -6.984 -2.976 5.350 1.00 0.00 C ATOM 434 CG LEU A 31 -7.747 -1.944 6.121 1.00 0.00 C ATOM 435 CD1 LEU A 31 -8.386 -0.923 5.193 1.00 0.00 C ATOM 436 CD2 LEU A 31 -8.793 -2.604 7.004 1.00 0.00 C ATOM 0 H LEU A 31 -5.482 -1.708 6.830 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.416 -4.396 6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.504 -2.506 4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.676 -3.722 4.959 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.043 -1.412 6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.933 -0.187 5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.610 -0.421 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.074 -1.428 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.338 -1.839 7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.489 -3.168 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.303 -3.279 7.706 1.00 0.00 H new ATOM 448 N LEU A 32 -3.935 -3.593 4.969 1.00 0.00 N ATOM 449 CA LEU A 32 -2.910 -4.053 4.128 1.00 0.00 C ATOM 450 C LEU A 32 -2.148 -5.206 4.786 1.00 0.00 C ATOM 451 O LEU A 32 -1.879 -6.224 4.157 1.00 0.00 O ATOM 452 CB LEU A 32 -2.059 -2.837 3.899 1.00 0.00 C ATOM 453 CG LEU A 32 -1.077 -2.929 2.802 1.00 0.00 C ATOM 454 CD1 LEU A 32 -1.713 -3.456 1.547 1.00 0.00 C ATOM 455 CD2 LEU A 32 -0.475 -1.587 2.599 1.00 0.00 C ATOM 0 H LEU A 32 -3.810 -2.632 5.287 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.269 -4.466 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.717 -1.991 3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.523 -2.615 4.822 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.291 -3.637 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.965 -3.513 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.119 -4.450 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.517 -2.788 1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.255 -1.634 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.257 -0.873 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.020 -1.268 3.516 1.00 0.00 H new ATOM 467 N GLN A 33 -1.825 -5.059 6.059 1.00 0.00 N ATOM 468 CA GLN A 33 -1.169 -6.085 6.809 1.00 0.00 C ATOM 469 C GLN A 33 -2.139 -7.210 7.134 1.00 0.00 C ATOM 470 O GLN A 33 -1.820 -8.393 7.013 1.00 0.00 O ATOM 471 CB GLN A 33 -0.637 -5.444 8.066 1.00 0.00 C ATOM 472 CG GLN A 33 0.492 -4.487 7.770 1.00 0.00 C ATOM 473 CD GLN A 33 1.102 -3.861 9.005 1.00 0.00 C ATOM 474 OE1 GLN A 33 0.555 -2.739 9.435 1.00 0.00 O flip ATOM 475 NE2 GLN A 33 2.062 -4.384 9.566 1.00 0.00 N flip ATOM 0 H GLN A 33 -2.018 -4.213 6.595 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.354 -6.526 6.236 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.442 -4.911 8.572 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.288 -6.218 8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.270 -5.017 7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.123 -3.696 7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.455 -5.252 9.201 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.466 -3.951 10.396 1.00 0.00 H new ATOM 484 N ALA A 34 -3.327 -6.795 7.525 1.00 0.00 N ATOM 485 CA ALA A 34 -4.410 -7.678 7.906 1.00 0.00 C ATOM 486 C ALA A 34 -4.831 -8.615 6.772 1.00 0.00 C ATOM 487 O ALA A 34 -4.920 -9.831 6.948 1.00 0.00 O ATOM 488 CB ALA A 34 -5.579 -6.812 8.326 1.00 0.00 C ATOM 0 H ALA A 34 -3.572 -5.807 7.588 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.074 -8.317 8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.415 -7.447 8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.284 -6.186 9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.881 -6.178 7.492 1.00 0.00 H new ATOM 494 N ASP A 35 -5.095 -8.031 5.619 1.00 0.00 N ATOM 495 CA ASP A 35 -5.635 -8.750 4.475 1.00 0.00 C ATOM 496 C ASP A 35 -4.538 -9.108 3.481 1.00 0.00 C ATOM 497 O ASP A 35 -4.401 -10.270 3.099 1.00 0.00 O ATOM 498 CB ASP A 35 -6.707 -7.896 3.786 1.00 0.00 C ATOM 499 CG ASP A 35 -7.324 -8.565 2.571 1.00 0.00 C ATOM 500 OD1 ASP A 35 -6.802 -8.388 1.451 1.00 0.00 O ATOM 501 OD2 ASP A 35 -8.362 -9.244 2.726 1.00 0.00 O ATOM 0 H ASP A 35 -4.941 -7.038 5.446 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.081 -9.677 4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.494 -7.667 4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.265 -6.947 3.483 1.00 0.00 H new ATOM 506 N CYS A 36 -3.738 -8.119 3.087 1.00 0.00 N ATOM 507 CA CYS A 36 -2.747 -8.322 2.039 1.00 0.00 C ATOM 508 C CYS A 36 -1.500 -9.023 2.567 1.00 0.00 C ATOM 509 O CYS A 36 -0.698 -9.541 1.799 1.00 0.00 O ATOM 510 CB CYS A 36 -2.363 -6.982 1.404 1.00 0.00 C ATOM 511 SG CYS A 36 -1.062 -7.096 0.157 1.00 0.00 S ATOM 0 H CYS A 36 -3.758 -7.176 3.476 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.197 -8.965 1.283 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.250 -6.542 0.948 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.038 -6.301 2.190 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.271 -8.087 0.444 1.00 0.00 H new ATOM 517 N GLY A 37 -1.318 -9.031 3.873 1.00 0.00 N ATOM 518 CA GLY A 37 -0.161 -9.694 4.429 1.00 0.00 C ATOM 519 C GLY A 37 1.036 -8.777 4.460 1.00 0.00 C ATOM 520 O GLY A 37 2.174 -9.226 4.604 1.00 0.00 O ATOM 0 H GLY A 37 -1.942 -8.596 4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.386 -10.036 5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.072 -10.579 3.838 1.00 0.00 H new ATOM 524 N PHE A 38 0.773 -7.485 4.273 1.00 0.00 N ATOM 525 CA PHE A 38 1.762 -6.455 4.415 1.00 0.00 C ATOM 526 C PHE A 38 2.554 -6.627 5.694 1.00 0.00 C ATOM 527 O PHE A 38 2.015 -6.957 6.748 1.00 0.00 O ATOM 528 CB PHE A 38 1.046 -5.123 4.420 1.00 0.00 C ATOM 529 CG PHE A 38 1.921 -3.942 4.229 1.00 0.00 C ATOM 530 CD1 PHE A 38 3.058 -4.115 3.572 1.00 0.00 C ATOM 531 CD2 PHE A 38 1.643 -2.701 4.751 1.00 0.00 C ATOM 532 CE1 PHE A 38 3.939 -3.152 3.366 1.00 0.00 C ATOM 533 CE2 PHE A 38 2.535 -1.673 4.538 1.00 0.00 C ATOM 534 CZ PHE A 38 3.694 -1.931 3.826 1.00 0.00 C ATOM 0 H PHE A 38 -0.150 -7.135 4.016 1.00 0.00 H new ATOM 0 HA PHE A 38 2.469 -6.510 3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.292 -5.129 3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.517 -5.015 5.367 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.277 -5.098 3.183 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.740 -2.535 5.319 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.852 -3.357 2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.334 -0.683 4.920 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.402 -1.136 3.644 1.00 0.00 H new ATOM 544 N ASP A 39 3.833 -6.404 5.573 1.00 0.00 N ATOM 545 CA ASP A 39 4.742 -6.570 6.656 1.00 0.00 C ATOM 546 C ASP A 39 5.897 -5.645 6.406 1.00 0.00 C ATOM 547 O ASP A 39 6.896 -6.042 5.825 1.00 0.00 O ATOM 548 CB ASP A 39 5.240 -7.994 6.736 1.00 0.00 C ATOM 549 CG ASP A 39 5.970 -8.282 8.026 1.00 0.00 C ATOM 550 OD1 ASP A 39 5.308 -8.373 9.077 1.00 0.00 O ATOM 551 OD2 ASP A 39 7.212 -8.413 7.996 1.00 0.00 O ATOM 0 H ASP A 39 4.272 -6.098 4.705 1.00 0.00 H new ATOM 0 HA ASP A 39 4.245 -6.344 7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.395 -8.676 6.641 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.905 -8.190 5.895 1.00 0.00 H new ATOM 556 N LYS A 40 5.756 -4.426 6.849 1.00 0.00 N ATOM 557 CA LYS A 40 6.732 -3.386 6.627 1.00 0.00 C ATOM 558 C LYS A 40 8.121 -3.815 7.100 1.00 0.00 C ATOM 559 O LYS A 40 9.140 -3.304 6.638 1.00 0.00 O ATOM 560 CB LYS A 40 6.324 -2.202 7.476 1.00 0.00 C ATOM 561 CG LYS A 40 4.894 -1.803 7.256 1.00 0.00 C ATOM 562 CD LYS A 40 4.846 -0.643 6.342 1.00 0.00 C ATOM 563 CE LYS A 40 5.672 0.538 6.843 1.00 0.00 C ATOM 564 NZ LYS A 40 5.640 1.684 5.898 1.00 0.00 N ATOM 0 H LYS A 40 4.945 -4.118 7.385 1.00 0.00 H new ATOM 0 HA LYS A 40 6.771 -3.159 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.472 -2.445 8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.973 -1.356 7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.333 -2.637 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.424 -1.551 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.210 -0.945 5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.810 -0.328 6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.294 0.859 7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.704 0.221 6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.214 2.464 6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.025 1.387 4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.658 2.005 5.775 1.00 0.00 H new ATOM 578 N THR A 41 8.132 -4.766 8.023 1.00 0.00 N ATOM 579 CA THR A 41 9.339 -5.177 8.718 1.00 0.00 C ATOM 580 C THR A 41 10.198 -6.052 7.831 1.00 0.00 C ATOM 581 O THR A 41 11.397 -6.218 8.068 1.00 0.00 O ATOM 582 CB THR A 41 9.002 -5.900 10.028 1.00 0.00 C ATOM 583 OG1 THR A 41 7.879 -6.772 9.848 1.00 0.00 O ATOM 584 CG2 THR A 41 8.678 -4.893 11.108 1.00 0.00 C ATOM 0 H THR A 41 7.297 -5.276 8.311 1.00 0.00 H new ATOM 0 HA THR A 41 9.905 -4.279 8.965 1.00 0.00 H new ATOM 0 HB THR A 41 9.870 -6.490 10.324 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.964 -7.242 8.992 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.440 -5.416 12.034 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.538 -4.243 11.269 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.822 -4.292 10.801 1.00 0.00 H new ATOM 592 N LYS A 42 9.582 -6.593 6.797 1.00 0.00 N ATOM 593 CA LYS A 42 10.321 -7.078 5.679 1.00 0.00 C ATOM 594 C LYS A 42 9.365 -7.110 4.532 1.00 0.00 C ATOM 595 O LYS A 42 9.001 -8.139 4.016 1.00 0.00 O ATOM 596 CB LYS A 42 10.761 -8.497 6.016 1.00 0.00 C ATOM 597 CG LYS A 42 9.530 -9.348 6.220 1.00 0.00 C ATOM 598 CD LYS A 42 9.772 -10.733 6.750 1.00 0.00 C ATOM 599 CE LYS A 42 8.426 -11.380 7.006 1.00 0.00 C ATOM 600 NZ LYS A 42 7.867 -11.008 8.332 1.00 0.00 N ATOM 0 H LYS A 42 8.571 -6.701 6.721 1.00 0.00 H new ATOM 0 HA LYS A 42 11.191 -6.465 5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.373 -8.904 5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.375 -8.499 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.862 -8.828 6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.007 -9.430 5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.346 -11.320 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.356 -10.692 7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.728 -11.084 6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.529 -12.464 6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.917 -11.418 8.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.486 -11.373 9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.807 -9.972 8.405 1.00 0.00 H new ATOM 614 N HIS A 43 9.224 -5.960 3.988 1.00 0.00 N ATOM 615 CA HIS A 43 8.541 -5.726 2.781 1.00 0.00 C ATOM 616 C HIS A 43 8.896 -4.380 2.309 1.00 0.00 C ATOM 617 O HIS A 43 9.550 -3.591 2.990 1.00 0.00 O ATOM 618 CB HIS A 43 7.036 -5.752 2.952 1.00 0.00 C ATOM 619 CG HIS A 43 6.444 -7.105 2.965 1.00 0.00 C ATOM 620 ND1 HIS A 43 5.213 -7.363 3.459 1.00 0.00 N ATOM 621 CD2 HIS A 43 6.943 -8.277 2.553 1.00 0.00 C ATOM 622 CE1 HIS A 43 4.965 -8.636 3.384 1.00 0.00 C ATOM 623 NE2 HIS A 43 5.999 -9.233 2.822 1.00 0.00 N ATOM 0 H HIS A 43 9.606 -5.109 4.401 1.00 0.00 H new ATOM 0 HA HIS A 43 8.827 -6.513 2.083 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.780 -5.248 3.884 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.581 -5.178 2.145 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.908 -8.438 2.095 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.064 -9.124 3.725 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.081 -10.230 2.623 1.00 0.00 H new ATOM 632 N ASP A 44 8.418 -4.139 1.163 1.00 0.00 N ATOM 633 CA ASP A 44 8.305 -2.846 0.663 1.00 0.00 C ATOM 634 C ASP A 44 6.884 -2.766 0.247 1.00 0.00 C ATOM 635 O ASP A 44 6.266 -3.767 0.043 1.00 0.00 O ATOM 636 CB ASP A 44 9.250 -2.559 -0.509 1.00 0.00 C ATOM 637 CG ASP A 44 10.678 -3.031 -0.277 1.00 0.00 C ATOM 638 OD1 ASP A 44 11.456 -2.309 0.384 1.00 0.00 O ATOM 639 OD2 ASP A 44 11.032 -4.125 -0.766 1.00 0.00 O ATOM 0 H ASP A 44 8.084 -4.863 0.527 1.00 0.00 H new ATOM 0 HA ASP A 44 8.587 -2.100 1.406 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.859 -3.041 -1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.259 -1.486 -0.702 1.00 0.00 H new ATOM 644 N LEU A 45 6.313 -1.647 0.320 1.00 0.00 N ATOM 645 CA LEU A 45 5.112 -1.415 -0.278 1.00 0.00 C ATOM 646 C LEU A 45 5.313 -0.420 -1.404 1.00 0.00 C ATOM 647 O LEU A 45 6.002 0.583 -1.235 1.00 0.00 O ATOM 648 CB LEU A 45 4.246 -0.910 0.803 1.00 0.00 C ATOM 649 CG LEU A 45 3.066 -0.257 0.290 1.00 0.00 C ATOM 650 CD1 LEU A 45 2.341 -1.178 -0.645 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.177 0.090 1.385 1.00 0.00 C ATOM 0 H LEU A 45 6.695 -0.845 0.821 1.00 0.00 H new ATOM 0 HA LEU A 45 4.658 -2.295 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.951 -1.738 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.808 -0.210 1.421 1.00 0.00 H new ATOM 0 HG LEU A 45 3.369 0.646 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.451 -0.680 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.996 -1.443 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.049 -2.082 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.288 0.583 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.884 -0.815 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.691 0.764 2.071 1.00 0.00 H new ATOM 663 N TYR A 46 4.767 -0.725 -2.561 1.00 0.00 N ATOM 664 CA TYR A 46 4.898 0.133 -3.687 1.00 0.00 C ATOM 665 C TYR A 46 3.653 0.908 -3.886 1.00 0.00 C ATOM 666 O TYR A 46 2.561 0.556 -3.469 1.00 0.00 O ATOM 667 CB TYR A 46 5.251 -0.625 -4.978 1.00 0.00 C ATOM 668 CG TYR A 46 6.658 -0.966 -5.038 1.00 0.00 C ATOM 669 CD1 TYR A 46 7.066 -1.518 -3.950 1.00 0.00 C ATOM 670 CD2 TYR A 46 7.533 -0.753 -6.086 1.00 0.00 C ATOM 671 CE1 TYR A 46 8.298 -1.912 -3.748 1.00 0.00 C ATOM 672 CE2 TYR A 46 8.852 -1.151 -5.947 1.00 0.00 C ATOM 673 CZ TYR A 46 9.240 -1.741 -4.753 1.00 0.00 C ATOM 674 OH TYR A 46 10.540 -2.155 -4.570 1.00 0.00 O ATOM 0 H TYR A 46 4.226 -1.572 -2.733 1.00 0.00 H new ATOM 0 HA TYR A 46 5.727 0.807 -3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.654 -1.535 -5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.989 -0.013 -5.841 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.349 -1.665 -3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.194 -0.284 -6.998 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.579 -2.366 -2.809 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.561 -1.006 -6.748 1.00 0.00 H new ATOM 0 HH TYR A 46 10.634 -2.555 -3.680 1.00 0.00 H new ATOM 684 N TYR A 47 3.893 1.978 -4.492 1.00 0.00 N ATOM 685 CA TYR A 47 2.937 2.936 -4.816 1.00 0.00 C ATOM 686 C TYR A 47 3.196 3.440 -6.216 1.00 0.00 C ATOM 687 O TYR A 47 4.206 4.099 -6.485 1.00 0.00 O ATOM 688 CB TYR A 47 3.016 4.010 -3.770 1.00 0.00 C ATOM 689 CG TYR A 47 2.157 5.086 -4.071 1.00 0.00 C ATOM 690 CD1 TYR A 47 0.939 4.692 -4.366 1.00 0.00 C ATOM 691 CD2 TYR A 47 2.481 6.426 -4.006 1.00 0.00 C ATOM 692 CE1 TYR A 47 -0.002 5.541 -4.621 1.00 0.00 C ATOM 693 CE2 TYR A 47 1.514 7.357 -4.282 1.00 0.00 C ATOM 694 CZ TYR A 47 0.251 6.907 -4.593 1.00 0.00 C ATOM 695 OH TYR A 47 -0.738 7.810 -4.875 1.00 0.00 O ATOM 0 H TYR A 47 4.831 2.232 -4.801 1.00 0.00 H new ATOM 0 HA TYR A 47 1.924 2.535 -4.819 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.752 3.593 -2.798 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.042 4.371 -3.694 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.719 3.635 -4.396 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.481 6.736 -3.742 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.994 5.185 -4.858 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.737 8.414 -4.256 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.428 7.379 -5.422 1.00 0.00 H new ATOM 705 N ASN A 48 2.264 3.108 -7.094 1.00 0.00 N ATOM 706 CA ASN A 48 2.367 3.359 -8.500 1.00 0.00 C ATOM 707 C ASN A 48 3.527 2.635 -9.130 1.00 0.00 C ATOM 708 O ASN A 48 3.342 1.616 -9.795 1.00 0.00 O ATOM 709 CB ASN A 48 2.360 4.857 -8.749 1.00 0.00 C ATOM 710 CG ASN A 48 0.943 5.384 -8.805 1.00 0.00 C ATOM 711 OD1 ASN A 48 0.330 5.468 -9.869 1.00 0.00 O ATOM 712 ND2 ASN A 48 0.416 5.723 -7.645 1.00 0.00 N ATOM 0 H ASN A 48 1.395 2.644 -6.829 1.00 0.00 H new ATOM 0 HA ASN A 48 1.494 2.943 -9.003 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.911 5.365 -7.957 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.872 5.077 -9.686 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.541 6.073 -7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.965 5.635 -6.790 1.00 0.00 H new ATOM 719 N MET A 49 4.709 3.128 -8.914 1.00 0.00 N ATOM 720 CA MET A 49 5.883 2.492 -9.455 1.00 0.00 C ATOM 721 C MET A 49 6.995 2.398 -8.418 1.00 0.00 C ATOM 722 O MET A 49 8.040 1.795 -8.663 1.00 0.00 O ATOM 723 CB MET A 49 6.359 3.262 -10.687 1.00 0.00 C ATOM 724 CG MET A 49 5.261 3.459 -11.718 1.00 0.00 C ATOM 725 SD MET A 49 5.814 4.353 -13.184 1.00 0.00 S ATOM 726 CE MET A 49 6.143 5.971 -12.490 1.00 0.00 C ATOM 0 H MET A 49 4.891 3.969 -8.367 1.00 0.00 H new ATOM 0 HA MET A 49 5.622 1.474 -9.744 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.739 4.235 -10.377 1.00 0.00 H new ATOM 0 HB3 MET A 49 7.190 2.727 -11.146 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.875 2.485 -12.019 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.434 4.002 -11.260 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.216 6.704 -13.294 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.332 6.250 -11.817 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.081 5.945 -11.936 1.00 0.00 H new ATOM 736 N ASP A 50 6.767 2.996 -7.263 1.00 0.00 N ATOM 737 CA ASP A 50 7.830 3.052 -6.252 1.00 0.00 C ATOM 738 C ASP A 50 7.349 2.860 -4.837 1.00 0.00 C ATOM 739 O ASP A 50 6.200 3.102 -4.504 1.00 0.00 O ATOM 740 CB ASP A 50 8.565 4.375 -6.317 1.00 0.00 C ATOM 741 CG ASP A 50 9.922 4.339 -5.639 1.00 0.00 C ATOM 742 OD1 ASP A 50 10.735 3.455 -5.967 1.00 0.00 O ATOM 743 OD2 ASP A 50 10.181 5.199 -4.775 1.00 0.00 O ATOM 0 H ASP A 50 5.888 3.440 -6.998 1.00 0.00 H new ATOM 0 HA ASP A 50 8.488 2.218 -6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.695 4.660 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.953 5.147 -5.850 1.00 0.00 H new ATOM 748 N ILE A 51 8.288 2.434 -4.022 1.00 0.00 N ATOM 749 CA ILE A 51 8.130 2.291 -2.604 1.00 0.00 C ATOM 750 C ILE A 51 7.883 3.592 -1.926 1.00 0.00 C ATOM 751 O ILE A 51 8.311 4.661 -2.358 1.00 0.00 O ATOM 752 CB ILE A 51 9.395 1.740 -1.983 1.00 0.00 C ATOM 753 CG1 ILE A 51 10.072 0.759 -2.906 1.00 0.00 C ATOM 754 CG2 ILE A 51 9.058 1.063 -0.675 1.00 0.00 C ATOM 755 CD1 ILE A 51 11.025 -0.102 -2.154 1.00 0.00 C ATOM 0 H ILE A 51 9.217 2.169 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 51 7.278 1.625 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 51 10.082 2.568 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.323 0.138 -3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.603 1.298 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.968 0.665 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.605 1.786 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.357 0.248 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.502 -0.802 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.786 0.521 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.486 -0.657 -1.386 1.00 0.00 H new ATOM 767 N LEU A 52 7.190 3.456 -0.852 1.00 0.00 N ATOM 768 CA LEU A 52 7.089 4.480 0.129 1.00 0.00 C ATOM 769 C LEU A 52 8.329 4.482 1.012 1.00 0.00 C ATOM 770 O LEU A 52 9.187 3.614 0.897 1.00 0.00 O ATOM 771 CB LEU A 52 5.890 4.165 0.960 1.00 0.00 C ATOM 772 CG LEU A 52 4.575 4.127 0.232 1.00 0.00 C ATOM 773 CD1 LEU A 52 4.513 5.198 -0.824 1.00 0.00 C ATOM 774 CD2 LEU A 52 4.286 2.767 -0.371 1.00 0.00 C ATOM 0 H LEU A 52 6.665 2.611 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 52 7.002 5.459 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.047 3.197 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.820 4.905 1.757 1.00 0.00 H new ATOM 0 HG LEU A 52 3.800 4.321 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.552 5.149 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.626 6.176 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.316 5.045 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.325 2.794 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.071 2.510 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.254 2.018 0.420 1.00 0.00 H new ATOM 786 N ASP A 53 8.410 5.442 1.902 1.00 0.00 N ATOM 787 CA ASP A 53 9.560 5.539 2.805 1.00 0.00 C ATOM 788 C ASP A 53 9.097 5.988 4.186 1.00 0.00 C ATOM 789 O ASP A 53 7.908 6.243 4.383 1.00 0.00 O ATOM 790 CB ASP A 53 10.634 6.487 2.236 1.00 0.00 C ATOM 791 CG ASP A 53 11.946 6.433 2.997 1.00 0.00 C ATOM 792 OD1 ASP A 53 12.796 5.577 2.680 1.00 0.00 O ATOM 793 OD2 ASP A 53 12.126 7.247 3.924 1.00 0.00 O ATOM 0 H ASP A 53 7.705 6.168 2.030 1.00 0.00 H new ATOM 0 HA ASP A 53 10.018 4.554 2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.817 6.233 1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.253 7.508 2.254 1.00 0.00 H new ATOM 798 N SER A 54 10.015 6.100 5.131 1.00 0.00 N ATOM 799 CA SER A 54 9.686 6.625 6.442 1.00 0.00 C ATOM 800 C SER A 54 9.526 8.140 6.339 1.00 0.00 C ATOM 801 O SER A 54 8.771 8.754 7.090 1.00 0.00 O ATOM 802 CB SER A 54 10.766 6.260 7.464 1.00 0.00 C ATOM 803 OG SER A 54 10.326 6.503 8.794 1.00 0.00 O ATOM 0 H SER A 54 10.993 5.834 5.014 1.00 0.00 H new ATOM 0 HA SER A 54 8.751 6.182 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 54 11.033 5.209 7.354 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.667 6.840 7.266 1.00 0.00 H new ATOM 0 HG SER A 54 11.036 6.259 9.423 1.00 0.00 H new ATOM 809 N ASN A 55 10.226 8.728 5.371 1.00 0.00 N ATOM 810 CA ASN A 55 10.067 10.137 5.066 1.00 0.00 C ATOM 811 C ASN A 55 8.831 10.318 4.206 1.00 0.00 C ATOM 812 O ASN A 55 8.086 11.287 4.334 1.00 0.00 O ATOM 813 CB ASN A 55 11.278 10.690 4.319 1.00 0.00 C ATOM 814 CG ASN A 55 12.578 10.548 5.081 1.00 0.00 C ATOM 815 OD1 ASN A 55 12.962 11.430 5.848 1.00 0.00 O ATOM 816 ND2 ASN A 55 13.273 9.445 4.860 1.00 0.00 N ATOM 0 H ASN A 55 10.908 8.244 4.787 1.00 0.00 H new ATOM 0 HA ASN A 55 9.969 10.681 6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.370 10.176 3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.109 11.744 4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 55 14.165 9.300 5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.917 8.739 4.216 1.00 0.00 H new ATOM 823 N ARG A 56 8.613 9.343 3.334 1.00 0.00 N ATOM 824 CA ARG A 56 7.497 9.347 2.423 1.00 0.00 C ATOM 825 C ARG A 56 6.290 8.661 3.018 1.00 0.00 C ATOM 826 O ARG A 56 5.541 7.949 2.354 1.00 0.00 O ATOM 827 CB ARG A 56 7.880 8.670 1.147 1.00 0.00 C ATOM 828 CG ARG A 56 8.754 9.514 0.239 1.00 0.00 C ATOM 829 CD ARG A 56 8.963 8.867 -1.121 1.00 0.00 C ATOM 830 NE ARG A 56 7.783 8.977 -1.978 1.00 0.00 N ATOM 831 CZ ARG A 56 7.648 8.338 -3.139 1.00 0.00 C ATOM 832 NH1 ARG A 56 8.589 7.495 -3.549 1.00 0.00 N ATOM 833 NH2 ARG A 56 6.573 8.546 -3.892 1.00 0.00 N ATOM 0 H ARG A 56 9.215 8.525 3.245 1.00 0.00 H new ATOM 0 HA ARG A 56 7.232 10.386 2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.405 7.744 1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.974 8.394 0.608 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.297 10.495 0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.721 9.675 0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.813 9.336 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.213 7.815 -0.985 1.00 0.00 H new ATOM 0 HE ARG A 56 7.019 9.578 -1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.417 7.336 -2.975 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.484 7.007 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.850 9.195 -3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.470 8.056 -4.781 1.00 0.00 H new ATOM 847 N THR A 57 6.156 8.880 4.280 1.00 0.00 N ATOM 848 CA THR A 57 5.010 8.461 5.041 1.00 0.00 C ATOM 849 C THR A 57 3.965 9.564 4.995 1.00 0.00 C ATOM 850 O THR A 57 3.708 10.274 5.972 1.00 0.00 O ATOM 851 CB THR A 57 5.393 8.124 6.494 1.00 0.00 C ATOM 852 OG1 THR A 57 6.413 7.112 6.501 1.00 0.00 O ATOM 853 CG2 THR A 57 4.189 7.629 7.273 1.00 0.00 C ATOM 0 H THR A 57 6.857 9.370 4.836 1.00 0.00 H new ATOM 0 HA THR A 57 4.601 7.550 4.603 1.00 0.00 H new ATOM 0 HB THR A 57 5.765 9.032 6.969 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.733 6.964 5.587 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.487 7.398 8.296 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.420 8.402 7.285 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.793 6.731 6.799 1.00 0.00 H new ATOM 861 N GLN A 58 3.402 9.714 3.819 1.00 0.00 N ATOM 862 CA GLN A 58 2.399 10.669 3.552 1.00 0.00 C ATOM 863 C GLN A 58 1.155 9.885 3.214 1.00 0.00 C ATOM 864 O GLN A 58 1.194 8.867 2.534 1.00 0.00 O ATOM 865 CB GLN A 58 2.828 11.600 2.419 1.00 0.00 C ATOM 866 CG GLN A 58 3.007 10.887 1.101 1.00 0.00 C ATOM 867 CD GLN A 58 4.421 10.988 0.541 1.00 0.00 C ATOM 868 OE1 GLN A 58 4.924 10.047 -0.074 1.00 0.00 O ATOM 869 NE2 GLN A 58 5.049 12.146 0.689 1.00 0.00 N ATOM 0 H GLN A 58 3.651 9.147 3.008 1.00 0.00 H new ATOM 0 HA GLN A 58 2.214 11.317 4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.082 12.386 2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.764 12.087 2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.750 9.835 1.228 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.307 11.301 0.375 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.604 12.905 1.204 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.977 12.278 0.287 1.00 0.00 H new ATOM 878 N SER A 59 0.091 10.363 3.746 1.00 0.00 N ATOM 879 CA SER A 59 -1.159 9.668 3.842 1.00 0.00 C ATOM 880 C SER A 59 -1.822 9.420 2.500 1.00 0.00 C ATOM 881 O SER A 59 -1.296 9.794 1.468 1.00 0.00 O ATOM 882 CB SER A 59 -2.071 10.519 4.684 1.00 0.00 C ATOM 883 OG SER A 59 -1.373 11.130 5.758 1.00 0.00 O ATOM 0 H SER A 59 0.057 11.299 4.151 1.00 0.00 H new ATOM 0 HA SER A 59 -0.970 8.686 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.528 11.289 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.881 9.905 5.078 1.00 0.00 H new ATOM 0 HG SER A 59 -1.051 12.013 5.479 1.00 0.00 H new ATOM 889 N LEU A 60 -2.997 8.797 2.546 1.00 0.00 N ATOM 890 CA LEU A 60 -3.797 8.575 1.324 1.00 0.00 C ATOM 891 C LEU A 60 -3.846 9.823 0.453 1.00 0.00 C ATOM 892 O LEU A 60 -3.460 9.799 -0.717 1.00 0.00 O ATOM 893 CB LEU A 60 -5.260 8.293 1.633 1.00 0.00 C ATOM 894 CG LEU A 60 -5.571 7.403 2.807 1.00 0.00 C ATOM 895 CD1 LEU A 60 -6.927 7.767 3.329 1.00 0.00 C ATOM 896 CD2 LEU A 60 -5.573 5.963 2.408 1.00 0.00 C ATOM 0 H LEU A 60 -3.421 8.437 3.401 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.311 7.732 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.758 9.249 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.710 7.847 0.746 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.806 7.545 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.171 7.133 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.928 8.811 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.670 7.623 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.801 5.345 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.328 5.800 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.592 5.692 2.017 1.00 0.00 H new ATOM 908 N LYS A 61 -4.308 10.921 1.043 1.00 0.00 N ATOM 909 CA LYS A 61 -4.424 12.166 0.309 1.00 0.00 C ATOM 910 C LYS A 61 -3.073 12.792 -0.010 1.00 0.00 C ATOM 911 O LYS A 61 -2.949 13.558 -0.961 1.00 0.00 O ATOM 912 CB LYS A 61 -5.399 13.164 0.933 1.00 0.00 C ATOM 913 CG LYS A 61 -5.503 13.015 2.402 1.00 0.00 C ATOM 914 CD LYS A 61 -4.123 13.030 2.959 1.00 0.00 C ATOM 915 CE LYS A 61 -4.097 13.253 4.464 1.00 0.00 C ATOM 916 NZ LYS A 61 -4.678 14.568 4.843 1.00 0.00 N ATOM 0 H LYS A 61 -4.604 10.970 2.018 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.870 11.888 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.077 14.178 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.385 13.031 0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.096 13.825 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.008 12.083 2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.633 12.084 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.547 13.816 2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.652 12.456 4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.069 13.195 4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.348 14.832 5.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.377 15.291 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.716 14.502 4.843 1.00 0.00 H new ATOM 930 N GLU A 62 -2.060 12.470 0.785 1.00 0.00 N ATOM 931 CA GLU A 62 -0.745 13.037 0.562 1.00 0.00 C ATOM 932 C GLU A 62 0.005 12.263 -0.516 1.00 0.00 C ATOM 933 O GLU A 62 0.738 12.848 -1.312 1.00 0.00 O ATOM 934 CB GLU A 62 0.047 13.058 1.848 1.00 0.00 C ATOM 935 CG GLU A 62 -0.692 13.702 2.999 1.00 0.00 C ATOM 936 CD GLU A 62 0.184 13.883 4.218 1.00 0.00 C ATOM 937 OE1 GLU A 62 0.367 12.898 4.969 1.00 0.00 O ATOM 938 OE2 GLU A 62 0.701 14.996 4.427 1.00 0.00 O ATOM 0 H GLU A 62 -2.125 11.830 1.576 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.871 14.063 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.309 12.036 2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.982 13.593 1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.076 14.672 2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.554 13.089 3.262 1.00 0.00 H new ATOM 945 N LEU A 63 -0.184 10.945 -0.533 1.00 0.00 N ATOM 946 CA LEU A 63 0.394 10.104 -1.583 1.00 0.00 C ATOM 947 C LEU A 63 -0.121 10.541 -2.930 1.00 0.00 C ATOM 948 O LEU A 63 0.645 10.753 -3.872 1.00 0.00 O ATOM 949 CB LEU A 63 0.043 8.617 -1.417 1.00 0.00 C ATOM 950 CG LEU A 63 0.647 7.917 -0.206 1.00 0.00 C ATOM 951 CD1 LEU A 63 0.071 6.519 -0.065 1.00 0.00 C ATOM 952 CD2 LEU A 63 2.160 7.853 -0.331 1.00 0.00 C ATOM 0 H LEU A 63 -0.729 10.437 0.163 1.00 0.00 H new ATOM 0 HA LEU A 63 1.475 10.220 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.042 8.525 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.362 8.087 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 63 0.397 8.490 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.511 6.030 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.010 6.582 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.298 5.940 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.576 7.350 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.428 7.299 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.563 8.864 -0.394 1.00 0.00 H new ATOM 964 N GLY A 64 -1.429 10.708 -3.000 1.00 0.00 N ATOM 965 CA GLY A 64 -2.078 10.917 -4.262 1.00 0.00 C ATOM 966 C GLY A 64 -2.966 9.745 -4.593 1.00 0.00 C ATOM 967 O GLY A 64 -3.146 9.412 -5.758 1.00 0.00 O ATOM 0 H GLY A 64 -2.054 10.701 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.669 11.832 -4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.332 11.049 -5.045 1.00 0.00 H new ATOM 971 N LEU A 65 -3.529 9.117 -3.556 1.00 0.00 N ATOM 972 CA LEU A 65 -4.353 7.926 -3.741 1.00 0.00 C ATOM 973 C LEU A 65 -5.740 8.309 -4.228 1.00 0.00 C ATOM 974 O LEU A 65 -6.183 9.451 -4.072 1.00 0.00 O ATOM 975 CB LEU A 65 -4.475 7.113 -2.444 1.00 0.00 C ATOM 976 CG LEU A 65 -3.299 6.226 -2.065 1.00 0.00 C ATOM 977 CD1 LEU A 65 -3.441 5.746 -0.631 1.00 0.00 C ATOM 978 CD2 LEU A 65 -3.186 5.028 -2.988 1.00 0.00 C ATOM 0 H LEU A 65 -3.428 9.414 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.860 7.306 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.650 7.810 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.361 6.483 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.393 6.824 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.592 5.112 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.469 6.605 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.364 5.176 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.335 4.416 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.099 4.435 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.043 5.371 -4.013 1.00 0.00 H new ATOM 990 N LYS A 66 -6.417 7.328 -4.783 1.00 0.00 N ATOM 991 CA LYS A 66 -7.726 7.567 -5.391 1.00 0.00 C ATOM 992 C LYS A 66 -8.425 6.316 -5.905 1.00 0.00 C ATOM 993 O LYS A 66 -8.024 5.184 -5.641 1.00 0.00 O ATOM 994 CB LYS A 66 -7.628 8.569 -6.554 1.00 0.00 C ATOM 995 CG LYS A 66 -6.879 8.041 -7.765 1.00 0.00 C ATOM 996 CD LYS A 66 -5.396 8.284 -7.635 1.00 0.00 C ATOM 997 CE LYS A 66 -5.045 9.727 -7.969 1.00 0.00 C ATOM 998 NZ LYS A 66 -5.393 10.067 -9.373 1.00 0.00 N ATOM 0 H LYS A 66 -6.094 6.362 -4.831 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.327 7.969 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.635 8.855 -6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.133 9.473 -6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.067 6.973 -7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.252 8.526 -8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.075 8.054 -6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.855 7.612 -8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.574 10.396 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.979 9.888 -7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.794 10.852 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.237 9.237 -9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.392 10.350 -9.424 1.00 0.00 H new ATOM 1012 N THR A 67 -9.423 6.594 -6.737 1.00 0.00 N ATOM 1013 CA THR A 67 -10.350 5.613 -7.268 1.00 0.00 C ATOM 1014 C THR A 67 -9.646 4.712 -8.279 1.00 0.00 C ATOM 1015 O THR A 67 -10.176 3.690 -8.708 1.00 0.00 O ATOM 1016 CB THR A 67 -11.565 6.316 -7.918 1.00 0.00 C ATOM 1017 OG1 THR A 67 -12.722 5.477 -7.852 1.00 0.00 O ATOM 1018 CG2 THR A 67 -11.294 6.695 -9.370 1.00 0.00 C ATOM 0 H THR A 67 -9.611 7.540 -7.068 1.00 0.00 H new ATOM 0 HA THR A 67 -10.711 4.994 -6.447 1.00 0.00 H new ATOM 0 HB THR A 67 -11.744 7.233 -7.356 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.483 5.936 -8.266 1.00 0.00 H new ATOM 0 HG21 THR A 67 -12.173 7.186 -9.788 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.443 7.374 -9.416 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.073 5.796 -9.945 1.00 0.00 H new ATOM 1026 N ASP A 68 -8.453 5.125 -8.663 1.00 0.00 N ATOM 1027 CA ASP A 68 -7.703 4.459 -9.710 1.00 0.00 C ATOM 1028 C ASP A 68 -6.283 4.192 -9.223 1.00 0.00 C ATOM 1029 O ASP A 68 -5.362 3.970 -10.010 1.00 0.00 O ATOM 1030 CB ASP A 68 -7.706 5.338 -10.973 1.00 0.00 C ATOM 1031 CG ASP A 68 -6.962 4.727 -12.147 1.00 0.00 C ATOM 1032 OD1 ASP A 68 -7.378 3.656 -12.632 1.00 0.00 O ATOM 1033 OD2 ASP A 68 -5.969 5.334 -12.603 1.00 0.00 O ATOM 0 H ASP A 68 -7.977 5.931 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.164 3.502 -9.957 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.738 5.529 -11.269 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.259 6.303 -10.734 1.00 0.00 H new ATOM 1038 N ASP A 69 -6.100 4.196 -7.908 1.00 0.00 N ATOM 1039 CA ASP A 69 -4.771 4.054 -7.357 1.00 0.00 C ATOM 1040 C ASP A 69 -4.569 2.639 -6.845 1.00 0.00 C ATOM 1041 O ASP A 69 -5.391 1.770 -7.106 1.00 0.00 O ATOM 1042 CB ASP A 69 -4.493 5.088 -6.279 1.00 0.00 C ATOM 1043 CG ASP A 69 -3.076 5.600 -6.360 1.00 0.00 C ATOM 1044 OD1 ASP A 69 -2.339 5.188 -7.277 1.00 0.00 O ATOM 1045 OD2 ASP A 69 -2.713 6.437 -5.534 1.00 0.00 O ATOM 0 H ASP A 69 -6.845 4.295 -7.219 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.049 4.237 -8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.189 5.921 -6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.667 4.648 -5.297 1.00 0.00 H new ATOM 1050 N LEU A 70 -3.449 2.395 -6.187 1.00 0.00 N ATOM 1051 CA LEU A 70 -2.990 1.041 -5.889 1.00 0.00 C ATOM 1052 C LEU A 70 -1.875 1.054 -4.863 1.00 0.00 C ATOM 1053 O LEU A 70 -1.262 2.098 -4.640 1.00 0.00 O ATOM 1054 CB LEU A 70 -2.503 0.341 -7.152 1.00 0.00 C ATOM 1055 CG LEU A 70 -1.242 0.857 -7.786 1.00 0.00 C ATOM 1056 CD1 LEU A 70 -1.270 2.350 -7.789 1.00 0.00 C ATOM 1057 CD2 LEU A 70 0.029 0.325 -7.135 1.00 0.00 C ATOM 0 H LEU A 70 -2.829 3.128 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.840 0.494 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.355 -0.713 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.299 0.393 -7.895 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.213 0.485 -8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.357 2.730 -8.248 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.133 2.697 -8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.340 2.715 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.899 0.739 -7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.050 0.617 -6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.048 -0.762 -7.210 1.00 0.00 H new ATOM 1069 N LEU A 71 -1.609 -0.074 -4.215 1.00 0.00 N ATOM 1070 CA LEU A 71 -0.304 -0.250 -3.632 1.00 0.00 C ATOM 1071 C LEU A 71 0.143 -1.691 -3.789 1.00 0.00 C ATOM 1072 O LEU A 71 -0.657 -2.584 -4.069 1.00 0.00 O ATOM 1073 CB LEU A 71 -0.343 0.175 -2.196 1.00 0.00 C ATOM 1074 CG LEU A 71 -1.395 -0.562 -1.459 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -0.833 -1.833 -0.926 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -2.022 0.302 -0.407 1.00 0.00 C ATOM 0 H LEU A 71 -2.259 -0.849 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 71 0.426 0.373 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.627 -0.005 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.532 1.247 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.204 -0.828 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.608 -2.374 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.472 -2.446 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.006 -1.611 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.791 -0.265 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.259 0.623 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.473 1.177 -0.876 1.00 0.00 H new ATOM 1088 N LEU A 72 1.419 -1.892 -3.630 1.00 0.00 N ATOM 1089 CA LEU A 72 2.041 -3.137 -3.936 1.00 0.00 C ATOM 1090 C LEU A 72 2.884 -3.735 -2.819 1.00 0.00 C ATOM 1091 O LEU A 72 3.791 -3.118 -2.312 1.00 0.00 O ATOM 1092 CB LEU A 72 2.884 -2.809 -5.107 1.00 0.00 C ATOM 1093 CG LEU A 72 2.221 -3.197 -6.397 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.495 -2.166 -7.475 1.00 0.00 C ATOM 1095 CD2 LEU A 72 2.618 -4.580 -6.862 1.00 0.00 C ATOM 0 H LEU A 72 2.062 -1.182 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 72 1.288 -3.906 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.096 -1.740 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.841 -3.323 -5.021 1.00 0.00 H new ATOM 0 HG LEU A 72 1.149 -3.226 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.005 -2.468 -8.400 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.108 -1.197 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.570 -2.090 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.110 -4.809 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.696 -4.616 -7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.335 -5.313 -6.107 1.00 0.00 H new ATOM 1107 N ILE A 73 2.626 -4.969 -2.468 1.00 0.00 N ATOM 1108 CA ILE A 73 3.406 -5.578 -1.382 1.00 0.00 C ATOM 1109 C ILE A 73 4.625 -6.263 -1.831 1.00 0.00 C ATOM 1110 O ILE A 73 4.622 -7.415 -2.228 1.00 0.00 O ATOM 1111 CB ILE A 73 2.640 -6.497 -0.428 1.00 0.00 C ATOM 1112 CG1 ILE A 73 1.874 -5.598 0.453 1.00 0.00 C ATOM 1113 CG2 ILE A 73 3.557 -7.385 0.413 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.614 -4.309 0.726 1.00 0.00 C ATOM 0 H ILE A 73 1.914 -5.566 -2.889 1.00 0.00 H new ATOM 0 HA ILE A 73 3.680 -4.692 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 73 2.010 -7.180 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.911 -5.373 -0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.667 -6.104 1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.954 -8.013 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.155 -8.016 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.217 -6.760 1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.013 -3.676 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.565 -4.531 1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.798 -3.789 -0.214 1.00 0.00 H new ATOM 1126 N ARG A 74 5.685 -5.605 -1.552 1.00 0.00 N ATOM 1127 CA ARG A 74 6.945 -6.020 -1.982 1.00 0.00 C ATOM 1128 C ARG A 74 7.560 -6.666 -0.799 1.00 0.00 C ATOM 1129 O ARG A 74 6.996 -6.635 0.271 1.00 0.00 O ATOM 1130 CB ARG A 74 7.717 -4.789 -2.388 1.00 0.00 C ATOM 1131 CG ARG A 74 9.083 -5.037 -2.906 1.00 0.00 C ATOM 1132 CD ARG A 74 9.046 -5.104 -4.413 1.00 0.00 C ATOM 1133 NE ARG A 74 10.043 -6.022 -4.951 1.00 0.00 N ATOM 1134 CZ ARG A 74 9.949 -6.618 -6.141 1.00 0.00 C ATOM 1135 NH1 ARG A 74 8.896 -6.409 -6.920 1.00 0.00 N ATOM 1136 NH2 ARG A 74 10.919 -7.418 -6.561 1.00 0.00 N ATOM 0 H ARG A 74 5.691 -4.744 -1.005 1.00 0.00 H new ATOM 0 HA ARG A 74 6.921 -6.705 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.148 -4.259 -3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.789 -4.125 -1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.756 -4.242 -2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.474 -5.970 -2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.054 -5.419 -4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.214 -4.108 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 74 10.865 -6.221 -4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.148 -5.788 -6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.834 -6.870 -7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.738 -7.578 -5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.846 -7.873 -7.471 1.00 0.00 H new ATOM 1150 N GLY A 75 8.668 -7.249 -0.991 1.00 0.00 N ATOM 1151 CA GLY A 75 9.312 -7.943 0.058 1.00 0.00 C ATOM 1152 C GLY A 75 10.776 -7.796 -0.046 1.00 0.00 C ATOM 1153 O GLY A 75 11.306 -7.555 -1.119 1.00 0.00 O ATOM 0 H GLY A 75 9.164 -7.264 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.970 -7.560 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.043 -8.999 0.022 1.00 0.00 H new ATOM 1157 N LYS A 76 11.414 -7.865 1.073 1.00 0.00 N ATOM 1158 CA LYS A 76 12.836 -7.891 1.116 1.00 0.00 C ATOM 1159 C LYS A 76 13.318 -9.278 0.926 1.00 0.00 C ATOM 1160 O LYS A 76 13.434 -10.085 1.850 1.00 0.00 O ATOM 1161 CB LYS A 76 13.343 -7.319 2.393 1.00 0.00 C ATOM 1162 CG LYS A 76 12.512 -6.141 2.764 1.00 0.00 C ATOM 1163 CD LYS A 76 12.505 -5.115 1.658 1.00 0.00 C ATOM 1164 CE LYS A 76 13.895 -4.703 1.276 1.00 0.00 C ATOM 1165 NZ LYS A 76 13.893 -3.687 0.193 1.00 0.00 N ATOM 0 H LYS A 76 10.962 -7.905 1.987 1.00 0.00 H new ATOM 0 HA LYS A 76 13.222 -7.272 0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.305 -8.070 3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.387 -7.024 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.492 -6.463 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.899 -5.692 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.994 -5.523 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.941 -4.239 1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.408 -4.301 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.457 -5.579 0.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.798 -3.174 0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.766 -4.159 -0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.114 -3.016 0.348 1.00 0.00 H new ATOM 1179 N ILE A 77 13.534 -9.505 -0.314 1.00 0.00 N ATOM 1180 CA ILE A 77 14.029 -10.770 -0.842 1.00 0.00 C ATOM 1181 C ILE A 77 15.181 -11.312 0.007 1.00 0.00 C ATOM 1182 O ILE A 77 15.067 -12.375 0.615 1.00 0.00 O ATOM 1183 CB ILE A 77 14.507 -10.613 -2.304 1.00 0.00 C ATOM 1184 CG1 ILE A 77 13.330 -10.438 -3.266 1.00 0.00 C ATOM 1185 CG2 ILE A 77 15.340 -11.812 -2.737 1.00 0.00 C ATOM 1186 CD1 ILE A 77 12.520 -9.180 -3.099 1.00 0.00 C ATOM 0 H ILE A 77 13.373 -8.804 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 77 13.200 -11.477 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 77 15.123 -9.715 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 77 13.713 -10.466 -4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 77 12.664 -11.293 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 77 15.664 -11.677 -3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.214 -11.900 -2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 77 14.740 -12.719 -2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.715 -9.165 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 77 12.096 -9.151 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 77 13.162 -8.312 -3.247 1.00 0.00 H new ATOM 1198 N SER A 78 16.288 -10.584 0.032 1.00 0.00 N ATOM 1199 CA SER A 78 17.431 -10.968 0.845 1.00 0.00 C ATOM 1200 C SER A 78 18.024 -9.747 1.539 1.00 0.00 C ATOM 1201 O SER A 78 18.422 -9.810 2.707 1.00 0.00 O ATOM 1202 CB SER A 78 18.486 -11.657 -0.027 1.00 0.00 C ATOM 1203 OG SER A 78 18.822 -10.861 -1.157 1.00 0.00 O ATOM 0 H SER A 78 16.418 -9.724 -0.501 1.00 0.00 H new ATOM 0 HA SER A 78 17.099 -11.669 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.381 -11.849 0.565 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.110 -12.625 -0.360 1.00 0.00 H new ATOM 0 HG SER A 78 19.498 -11.324 -1.694 1.00 0.00 H new ATOM 1209 N ASN A 79 18.079 -8.638 0.816 1.00 0.00 N ATOM 1210 CA ASN A 79 18.576 -7.390 1.370 1.00 0.00 C ATOM 1211 C ASN A 79 17.429 -6.591 1.964 1.00 0.00 C ATOM 1212 O ASN A 79 16.345 -6.532 1.390 1.00 0.00 O ATOM 1213 CB ASN A 79 19.276 -6.559 0.295 1.00 0.00 C ATOM 1214 CG ASN A 79 20.489 -7.254 -0.288 1.00 0.00 C ATOM 1215 OD1 ASN A 79 20.385 -7.960 -1.289 1.00 0.00 O ATOM 1216 ND2 ASN A 79 21.642 -7.061 0.335 1.00 0.00 N ATOM 0 H ASN A 79 17.784 -8.578 -0.159 1.00 0.00 H new ATOM 0 HA ASN A 79 19.297 -7.628 2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 79 18.569 -6.339 -0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 79 19.581 -5.604 0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 79 22.491 -7.507 -0.013 1.00 0.00 H new ATOM 0 HD22 ASN A 79 21.681 -6.466 1.163 1.00 0.00 H new ATOM 1223 N SER A 80 17.665 -5.995 3.119 1.00 0.00 N ATOM 1224 CA SER A 80 16.658 -5.184 3.778 1.00 0.00 C ATOM 1225 C SER A 80 17.279 -3.908 4.338 1.00 0.00 C ATOM 1226 O SER A 80 17.137 -2.826 3.770 1.00 0.00 O ATOM 1227 CB SER A 80 15.988 -5.993 4.895 1.00 0.00 C ATOM 1228 OG SER A 80 16.961 -6.610 5.727 1.00 0.00 O ATOM 0 H SER A 80 18.550 -6.058 3.622 1.00 0.00 H new ATOM 0 HA SER A 80 15.901 -4.899 3.047 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.354 -5.339 5.493 1.00 0.00 H new ATOM 0 HB3 SER A 80 15.340 -6.754 4.460 1.00 0.00 H new ATOM 0 HG SER A 80 16.512 -7.119 6.434 1.00 0.00 H new TER 1234 SER A 80