USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 490 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 59 SER OG : rot 14:sc= 2.46 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 167:sc= 0.349 (180deg=-1.05) USER MOD Set 2.1: A 7 ASN : amide:sc= -2.01 K(o=-4.9,f=-7.6!) USER MOD Set 2.2: A 10 THR OG1 : rot -140:sc= -1.56 USER MOD Set 2.3: A 14 TYR OH : rot 20:sc= 1.37 USER MOD Set 2.4: A 36 CYS SG : rot 150:sc= -2.69! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -145:sc= -3.38! (180deg=-6.89!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 33 GLN : amide:sc= -0.0689 K(o=-0.069,f=-1.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -99:sc= -0.432! USER MOD Single : A 42 LYS NZ :NH3+ -149:sc= 1.3 (180deg=0.383) USER MOD Single : A 43 HIS : no HD1:sc= -5.34! C(o=-5.3!,f=-11!) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.68! USER MOD Single : A 47 TYR OH : rot -35:sc= 0.147 USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= -0.566 (180deg=-0.696) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 -11.503 2.890 -5.404 1.00 0.00 N ATOM 2 CA ASP A 2 -11.164 1.558 -5.884 1.00 0.00 C ATOM 3 C ASP A 2 -9.656 1.451 -6.150 1.00 0.00 C ATOM 4 O ASP A 2 -9.181 1.616 -7.271 1.00 0.00 O ATOM 5 CB ASP A 2 -11.977 1.197 -7.125 1.00 0.00 C ATOM 6 CG ASP A 2 -13.471 1.085 -6.856 1.00 0.00 C ATOM 7 OD1 ASP A 2 -13.913 0.040 -6.330 1.00 0.00 O ATOM 8 OD2 ASP A 2 -14.212 2.038 -7.177 1.00 0.00 O ATOM 0 HA ASP A 2 -11.421 0.838 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.809 1.952 -7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.615 0.250 -7.525 1.00 0.00 H new ATOM 13 N LEU A 3 -8.924 1.150 -5.085 1.00 0.00 N ATOM 14 CA LEU A 3 -7.477 1.113 -5.068 1.00 0.00 C ATOM 15 C LEU A 3 -7.006 -0.339 -5.205 1.00 0.00 C ATOM 16 O LEU A 3 -7.705 -1.246 -4.754 1.00 0.00 O ATOM 17 CB LEU A 3 -7.053 1.732 -3.730 1.00 0.00 C ATOM 18 CG LEU A 3 -5.979 0.984 -2.952 1.00 0.00 C ATOM 19 CD1 LEU A 3 -4.606 1.557 -3.237 1.00 0.00 C ATOM 20 CD2 LEU A 3 -6.273 1.026 -1.462 1.00 0.00 C ATOM 0 H LEU A 3 -9.340 0.918 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.032 1.668 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.696 2.744 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.936 1.818 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.988 -0.056 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.857 1.005 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.390 1.472 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.582 2.607 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.495 0.486 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.296 2.062 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.239 0.560 -1.268 1.00 0.00 H new ATOM 32 N THR A 4 -5.844 -0.573 -5.818 1.00 0.00 N ATOM 33 CA THR A 4 -5.443 -1.923 -6.149 1.00 0.00 C ATOM 34 C THR A 4 -4.282 -2.358 -5.294 1.00 0.00 C ATOM 35 O THR A 4 -3.210 -1.787 -5.368 1.00 0.00 O ATOM 36 CB THR A 4 -4.996 -2.005 -7.610 1.00 0.00 C ATOM 37 OG1 THR A 4 -5.961 -1.361 -8.455 1.00 0.00 O ATOM 38 CG2 THR A 4 -4.815 -3.455 -8.041 1.00 0.00 C ATOM 0 H THR A 4 -5.178 0.151 -6.088 1.00 0.00 H new ATOM 0 HA THR A 4 -6.303 -2.570 -5.976 1.00 0.00 H new ATOM 0 HB THR A 4 -4.037 -1.495 -7.704 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.667 -1.416 -9.388 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.497 -3.488 -9.083 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.058 -3.929 -7.416 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.760 -3.987 -7.933 1.00 0.00 H new ATOM 46 N ILE A 5 -4.449 -3.357 -4.481 1.00 0.00 N ATOM 47 CA ILE A 5 -3.318 -3.865 -3.775 1.00 0.00 C ATOM 48 C ILE A 5 -2.882 -5.179 -4.366 1.00 0.00 C ATOM 49 O ILE A 5 -3.702 -5.998 -4.770 1.00 0.00 O ATOM 50 CB ILE A 5 -3.576 -4.037 -2.281 1.00 0.00 C ATOM 51 CG1 ILE A 5 -3.940 -2.698 -1.688 1.00 0.00 C ATOM 52 CG2 ILE A 5 -2.342 -4.586 -1.599 1.00 0.00 C ATOM 53 CD1 ILE A 5 -5.395 -2.343 -1.844 1.00 0.00 C ATOM 0 H ILE A 5 -5.336 -3.826 -4.294 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.526 -3.124 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.396 -4.740 -2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.687 -2.699 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.334 -1.925 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.538 -4.705 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.088 -5.554 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.510 -3.896 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.582 -1.368 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.650 -2.309 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.008 -3.095 -1.348 1.00 0.00 H new ATOM 65 N SER A 6 -1.596 -5.377 -4.419 1.00 0.00 N ATOM 66 CA SER A 6 -1.081 -6.607 -4.930 1.00 0.00 C ATOM 67 C SER A 6 -0.028 -7.103 -4.008 1.00 0.00 C ATOM 68 O SER A 6 0.884 -6.375 -3.636 1.00 0.00 O ATOM 69 CB SER A 6 -0.522 -6.434 -6.327 1.00 0.00 C ATOM 70 OG SER A 6 -0.705 -5.105 -6.786 1.00 0.00 O ATOM 0 H SER A 6 -0.891 -4.705 -4.116 1.00 0.00 H new ATOM 0 HA SER A 6 -1.892 -7.332 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.540 -6.681 -6.331 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.014 -7.129 -7.008 1.00 0.00 H new ATOM 0 HG SER A 6 -0.335 -5.017 -7.689 1.00 0.00 H new ATOM 76 N ASN A 7 -0.165 -8.331 -3.626 1.00 0.00 N ATOM 77 CA ASN A 7 0.787 -8.918 -2.736 1.00 0.00 C ATOM 78 C ASN A 7 1.912 -9.440 -3.570 1.00 0.00 C ATOM 79 O ASN A 7 1.808 -10.497 -4.177 1.00 0.00 O ATOM 80 CB ASN A 7 0.193 -10.038 -1.904 1.00 0.00 C ATOM 81 CG ASN A 7 1.026 -10.285 -0.669 1.00 0.00 C ATOM 82 OD1 ASN A 7 2.235 -10.067 -0.669 1.00 0.00 O ATOM 83 ND2 ASN A 7 0.397 -10.771 0.379 1.00 0.00 N ATOM 0 H ASN A 7 -0.925 -8.947 -3.915 1.00 0.00 H new ATOM 0 HA ASN A 7 1.128 -8.161 -2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.827 -9.782 -1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.137 -10.949 -2.499 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.915 -10.981 1.232 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.608 -10.938 0.338 1.00 0.00 H new ATOM 90 N GLU A 8 2.980 -8.697 -3.599 1.00 0.00 N ATOM 91 CA GLU A 8 4.072 -8.994 -4.547 1.00 0.00 C ATOM 92 C GLU A 8 4.792 -10.289 -4.206 1.00 0.00 C ATOM 93 O GLU A 8 5.513 -10.843 -5.035 1.00 0.00 O ATOM 94 CB GLU A 8 5.091 -7.855 -4.627 1.00 0.00 C ATOM 95 CG GLU A 8 4.792 -6.836 -5.706 1.00 0.00 C ATOM 96 CD GLU A 8 4.949 -7.408 -7.098 1.00 0.00 C ATOM 97 OE1 GLU A 8 4.033 -8.115 -7.567 1.00 0.00 O ATOM 98 OE2 GLU A 8 5.987 -7.149 -7.740 1.00 0.00 O ATOM 0 H GLU A 8 3.139 -7.889 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 8 3.594 -9.106 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.130 -7.348 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.080 -8.278 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.774 -6.466 -5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.459 -5.981 -5.590 1.00 0.00 H new ATOM 105 N LEU A 9 4.580 -10.779 -3.003 1.00 0.00 N ATOM 106 CA LEU A 9 5.253 -11.968 -2.536 1.00 0.00 C ATOM 107 C LEU A 9 4.416 -13.204 -2.795 1.00 0.00 C ATOM 108 O LEU A 9 4.913 -14.239 -3.238 1.00 0.00 O ATOM 109 CB LEU A 9 5.510 -11.825 -1.049 1.00 0.00 C ATOM 110 CG LEU A 9 6.603 -10.827 -0.672 1.00 0.00 C ATOM 111 CD1 LEU A 9 6.947 -10.949 0.799 1.00 0.00 C ATOM 112 CD2 LEU A 9 7.839 -11.037 -1.530 1.00 0.00 C ATOM 0 H LEU A 9 3.939 -10.365 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 9 6.194 -12.081 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.582 -11.524 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.778 -12.802 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 9 6.228 -9.820 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.727 -10.231 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.060 -10.746 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.302 -11.958 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.606 -10.316 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.218 -12.048 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.581 -10.897 -2.580 1.00 0.00 H new ATOM 124 N THR A 10 3.139 -13.080 -2.510 1.00 0.00 N ATOM 125 CA THR A 10 2.206 -14.132 -2.597 1.00 0.00 C ATOM 126 C THR A 10 1.577 -14.187 -3.968 1.00 0.00 C ATOM 127 O THR A 10 1.008 -15.190 -4.393 1.00 0.00 O ATOM 128 CB THR A 10 1.174 -13.809 -1.541 1.00 0.00 C ATOM 129 OG1 THR A 10 1.774 -12.936 -0.584 1.00 0.00 O ATOM 130 CG2 THR A 10 0.798 -15.030 -0.838 1.00 0.00 C ATOM 0 H THR A 10 2.726 -12.200 -2.201 1.00 0.00 H new ATOM 0 HA THR A 10 2.667 -15.107 -2.441 1.00 0.00 H new ATOM 0 HB THR A 10 0.301 -13.355 -2.010 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.481 -13.187 0.317 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.054 -14.797 -0.076 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.380 -15.744 -1.547 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.679 -15.463 -0.364 1.00 0.00 H new ATOM 138 N GLY A 11 1.683 -13.064 -4.628 1.00 0.00 N ATOM 139 CA GLY A 11 1.187 -12.927 -5.982 1.00 0.00 C ATOM 140 C GLY A 11 -0.301 -12.697 -5.996 1.00 0.00 C ATOM 141 O GLY A 11 -0.953 -12.778 -7.035 1.00 0.00 O ATOM 0 H GLY A 11 2.112 -12.220 -4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.691 -12.095 -6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.424 -13.826 -6.552 1.00 0.00 H new ATOM 145 N GLU A 12 -0.825 -12.404 -4.817 1.00 0.00 N ATOM 146 CA GLU A 12 -2.219 -12.215 -4.626 1.00 0.00 C ATOM 147 C GLU A 12 -2.596 -10.854 -5.084 1.00 0.00 C ATOM 148 O GLU A 12 -1.789 -9.931 -5.117 1.00 0.00 O ATOM 149 CB GLU A 12 -2.611 -12.351 -3.164 1.00 0.00 C ATOM 150 CG GLU A 12 -2.033 -13.579 -2.491 1.00 0.00 C ATOM 151 CD GLU A 12 -2.760 -13.945 -1.216 1.00 0.00 C ATOM 152 OE1 GLU A 12 -2.670 -13.185 -0.233 1.00 0.00 O ATOM 153 OE2 GLU A 12 -3.430 -14.996 -1.196 1.00 0.00 O ATOM 0 H GLU A 12 -0.272 -12.293 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.739 -12.982 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.282 -11.463 -2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.698 -12.384 -3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.075 -14.421 -3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.981 -13.403 -2.266 1.00 0.00 H new ATOM 160 N ILE A 13 -3.836 -10.749 -5.368 1.00 0.00 N ATOM 161 CA ILE A 13 -4.415 -9.543 -5.907 1.00 0.00 C ATOM 162 C ILE A 13 -5.657 -9.174 -5.129 1.00 0.00 C ATOM 163 O ILE A 13 -6.633 -9.925 -5.072 1.00 0.00 O ATOM 164 CB ILE A 13 -4.761 -9.658 -7.407 1.00 0.00 C ATOM 165 CG1 ILE A 13 -3.522 -10.038 -8.216 1.00 0.00 C ATOM 166 CG2 ILE A 13 -5.329 -8.338 -7.907 1.00 0.00 C ATOM 167 CD1 ILE A 13 -2.328 -9.165 -7.909 1.00 0.00 C ATOM 0 H ILE A 13 -4.507 -11.506 -5.236 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.660 -8.763 -5.810 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.508 -10.441 -7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.267 -11.078 -8.013 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.753 -9.968 -9.279 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.572 -8.424 -8.966 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.232 -8.095 -7.347 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.591 -7.548 -7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.479 -9.483 -8.514 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.568 -8.127 -8.138 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.074 -9.254 -6.853 1.00 0.00 H new ATOM 179 N TYR A 14 -5.583 -8.021 -4.516 1.00 0.00 N ATOM 180 CA TYR A 14 -6.660 -7.493 -3.710 1.00 0.00 C ATOM 181 C TYR A 14 -7.342 -6.405 -4.504 1.00 0.00 C ATOM 182 O TYR A 14 -6.674 -5.578 -5.136 1.00 0.00 O ATOM 183 CB TYR A 14 -6.041 -6.983 -2.427 1.00 0.00 C ATOM 184 CG TYR A 14 -5.209 -7.997 -1.820 1.00 0.00 C ATOM 185 CD1 TYR A 14 -5.624 -9.302 -1.576 1.00 0.00 C ATOM 186 CD2 TYR A 14 -3.983 -7.637 -1.530 1.00 0.00 C ATOM 187 CE1 TYR A 14 -4.745 -10.206 -1.024 1.00 0.00 C ATOM 188 CE2 TYR A 14 -3.128 -8.474 -1.020 1.00 0.00 C ATOM 189 CZ TYR A 14 -3.472 -9.776 -0.744 1.00 0.00 C ATOM 190 OH TYR A 14 -2.547 -10.631 -0.191 1.00 0.00 O ATOM 0 H TYR A 14 -4.765 -7.413 -4.561 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.415 -8.237 -3.457 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.446 -6.094 -2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.826 -6.687 -1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.632 -9.605 -1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.675 -6.619 -1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.048 -11.222 -0.818 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.124 -8.138 -0.808 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.826 -11.558 -0.343 1.00 0.00 H new ATOM 200 N GLY A 15 -8.653 -6.372 -4.442 1.00 0.00 N ATOM 201 CA GLY A 15 -9.397 -5.700 -5.470 1.00 0.00 C ATOM 202 C GLY A 15 -9.781 -4.297 -5.115 1.00 0.00 C ATOM 203 O GLY A 15 -9.480 -3.825 -4.022 1.00 0.00 O ATOM 0 H GLY A 15 -9.214 -6.796 -3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.804 -5.685 -6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.300 -6.271 -5.685 1.00 0.00 H new ATOM 207 N PRO A 16 -10.449 -3.618 -6.055 1.00 0.00 N ATOM 208 CA PRO A 16 -10.818 -2.208 -5.948 1.00 0.00 C ATOM 209 C PRO A 16 -11.372 -1.826 -4.596 1.00 0.00 C ATOM 210 O PRO A 16 -12.530 -2.082 -4.260 1.00 0.00 O ATOM 211 CB PRO A 16 -11.861 -2.070 -7.037 1.00 0.00 C ATOM 212 CG PRO A 16 -11.317 -2.944 -8.090 1.00 0.00 C ATOM 213 CD PRO A 16 -10.883 -4.176 -7.353 1.00 0.00 C ATOM 0 HA PRO A 16 -9.960 -1.545 -6.058 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.846 -2.397 -6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.965 -1.039 -7.375 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.069 -3.175 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.481 -2.473 -8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.697 -4.891 -7.238 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.073 -4.695 -7.866 1.00 0.00 H new ATOM 221 N ILE A 17 -10.502 -1.214 -3.831 1.00 0.00 N ATOM 222 CA ILE A 17 -10.818 -0.773 -2.502 1.00 0.00 C ATOM 223 C ILE A 17 -11.232 0.678 -2.476 1.00 0.00 C ATOM 224 O ILE A 17 -10.544 1.553 -2.990 1.00 0.00 O ATOM 225 CB ILE A 17 -9.634 -0.995 -1.562 1.00 0.00 C ATOM 226 CG1 ILE A 17 -9.616 -2.465 -1.184 1.00 0.00 C ATOM 227 CG2 ILE A 17 -9.717 -0.080 -0.343 1.00 0.00 C ATOM 228 CD1 ILE A 17 -8.621 -2.815 -0.104 1.00 0.00 C ATOM 0 H ILE A 17 -9.546 -1.008 -4.120 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.663 -1.370 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.698 -0.739 -2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.613 -2.755 -0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.392 -3.054 -2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.861 -0.261 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.712 0.960 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -10.637 -0.285 0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.673 -3.883 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.616 -2.559 -0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.855 -2.255 0.802 1.00 0.00 H new ATOM 240 N GLU A 18 -12.344 0.927 -1.848 1.00 0.00 N ATOM 241 CA GLU A 18 -12.846 2.276 -1.743 1.00 0.00 C ATOM 242 C GLU A 18 -11.976 3.061 -0.771 1.00 0.00 C ATOM 243 O GLU A 18 -12.010 2.816 0.434 1.00 0.00 O ATOM 244 CB GLU A 18 -14.300 2.263 -1.271 1.00 0.00 C ATOM 245 CG GLU A 18 -14.876 3.648 -1.012 1.00 0.00 C ATOM 246 CD GLU A 18 -16.292 3.604 -0.477 1.00 0.00 C ATOM 247 OE1 GLU A 18 -16.632 2.647 0.250 1.00 0.00 O ATOM 248 OE2 GLU A 18 -17.075 4.535 -0.767 1.00 0.00 O ATOM 0 H GLU A 18 -12.924 0.218 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.810 2.755 -2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.911 1.760 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.370 1.674 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.240 4.174 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.860 4.222 -1.938 1.00 0.00 H new ATOM 255 N VAL A 19 -11.176 3.992 -1.283 1.00 0.00 N ATOM 256 CA VAL A 19 -10.427 4.844 -0.396 1.00 0.00 C ATOM 257 C VAL A 19 -11.059 6.201 -0.308 1.00 0.00 C ATOM 258 O VAL A 19 -11.490 6.795 -1.300 1.00 0.00 O ATOM 259 CB VAL A 19 -8.942 5.013 -0.795 1.00 0.00 C ATOM 260 CG1 VAL A 19 -8.355 3.695 -1.187 1.00 0.00 C ATOM 261 CG2 VAL A 19 -8.724 6.035 -1.895 1.00 0.00 C ATOM 0 H VAL A 19 -11.038 4.165 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.449 4.343 0.572 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.429 5.397 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.310 3.830 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.420 3.003 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.906 3.289 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.660 6.102 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.269 5.730 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.086 7.009 -1.564 1.00 0.00 H new ATOM 271 N SER A 20 -11.189 6.634 0.908 1.00 0.00 N ATOM 272 CA SER A 20 -11.622 7.973 1.199 1.00 0.00 C ATOM 273 C SER A 20 -10.394 8.786 1.509 1.00 0.00 C ATOM 274 O SER A 20 -9.465 8.283 2.123 1.00 0.00 O ATOM 275 CB SER A 20 -12.579 7.966 2.393 1.00 0.00 C ATOM 276 OG SER A 20 -13.010 9.276 2.725 1.00 0.00 O ATOM 0 H SER A 20 -10.997 6.068 1.734 1.00 0.00 H new ATOM 0 HA SER A 20 -12.155 8.402 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.445 7.345 2.162 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.084 7.516 3.254 1.00 0.00 H new ATOM 0 HG SER A 20 -13.621 9.235 3.490 1.00 0.00 H new ATOM 282 N GLU A 21 -10.377 10.030 1.078 1.00 0.00 N ATOM 283 CA GLU A 21 -9.229 10.880 1.310 1.00 0.00 C ATOM 284 C GLU A 21 -9.153 11.223 2.790 1.00 0.00 C ATOM 285 O GLU A 21 -8.105 11.597 3.310 1.00 0.00 O ATOM 286 CB GLU A 21 -9.335 12.135 0.446 1.00 0.00 C ATOM 287 CG GLU A 21 -10.329 13.173 0.953 1.00 0.00 C ATOM 288 CD GLU A 21 -10.477 14.356 0.015 1.00 0.00 C ATOM 289 OE1 GLU A 21 -9.451 14.917 -0.421 1.00 0.00 O ATOM 290 OE2 GLU A 21 -11.626 14.747 -0.279 1.00 0.00 O ATOM 0 H GLU A 21 -11.141 10.473 0.568 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.312 10.361 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.350 12.597 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.620 11.841 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.302 12.701 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.007 13.530 1.931 1.00 0.00 H new ATOM 297 N ASP A 22 -10.292 11.080 3.456 1.00 0.00 N ATOM 298 CA ASP A 22 -10.385 11.319 4.886 1.00 0.00 C ATOM 299 C ASP A 22 -10.167 10.028 5.694 1.00 0.00 C ATOM 300 O ASP A 22 -10.378 10.009 6.907 1.00 0.00 O ATOM 301 CB ASP A 22 -11.754 11.931 5.209 1.00 0.00 C ATOM 302 CG ASP A 22 -11.815 12.573 6.584 1.00 0.00 C ATOM 303 OD1 ASP A 22 -11.267 13.687 6.751 1.00 0.00 O ATOM 304 OD2 ASP A 22 -12.429 11.981 7.499 1.00 0.00 O ATOM 0 H ASP A 22 -11.170 10.797 3.021 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.596 12.014 5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.997 12.680 4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.516 11.154 5.144 1.00 0.00 H new ATOM 309 N MET A 23 -9.747 8.944 5.035 1.00 0.00 N ATOM 310 CA MET A 23 -9.372 7.742 5.723 1.00 0.00 C ATOM 311 C MET A 23 -7.996 7.959 6.307 1.00 0.00 C ATOM 312 O MET A 23 -7.425 9.043 6.204 1.00 0.00 O ATOM 313 CB MET A 23 -9.365 6.567 4.734 1.00 0.00 C ATOM 314 CG MET A 23 -9.647 5.249 5.391 1.00 0.00 C ATOM 315 SD MET A 23 -10.982 4.320 4.602 1.00 0.00 S ATOM 316 CE MET A 23 -10.261 3.957 3.005 1.00 0.00 C ATOM 0 H MET A 23 -9.664 8.892 4.020 1.00 0.00 H new ATOM 0 HA MET A 23 -10.079 7.508 6.519 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.109 6.747 3.958 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.395 6.521 4.240 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.740 4.645 5.380 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.903 5.421 6.436 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.039 3.978 2.241 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.502 4.703 2.771 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.803 2.968 3.029 1.00 0.00 H new ATOM 326 N ALA A 24 -7.475 6.943 6.908 1.00 0.00 N ATOM 327 CA ALA A 24 -6.125 6.986 7.413 1.00 0.00 C ATOM 328 C ALA A 24 -5.245 6.092 6.567 1.00 0.00 C ATOM 329 O ALA A 24 -5.607 4.952 6.280 1.00 0.00 O ATOM 330 CB ALA A 24 -6.087 6.562 8.873 1.00 0.00 C ATOM 0 H ALA A 24 -7.961 6.060 7.067 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.750 8.008 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.060 6.601 9.237 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.707 7.236 9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.467 5.545 8.966 1.00 0.00 H new ATOM 336 N LEU A 25 -4.105 6.624 6.136 1.00 0.00 N ATOM 337 CA LEU A 25 -3.119 5.853 5.455 1.00 0.00 C ATOM 338 C LEU A 25 -2.753 4.655 6.289 1.00 0.00 C ATOM 339 O LEU A 25 -2.602 3.537 5.809 1.00 0.00 O ATOM 340 CB LEU A 25 -1.933 6.707 5.159 1.00 0.00 C ATOM 341 CG LEU A 25 -1.247 7.434 6.284 1.00 0.00 C ATOM 342 CD1 LEU A 25 -2.094 8.387 7.132 1.00 0.00 C ATOM 343 CD2 LEU A 25 -0.351 6.545 7.091 1.00 0.00 C ATOM 0 H LEU A 25 -3.856 7.606 6.259 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.514 5.491 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.188 6.076 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.242 7.454 4.427 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.610 8.138 5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.471 8.840 7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.509 9.169 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.906 7.832 7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.116 7.125 7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.938 5.736 7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.422 6.126 6.447 1.00 0.00 H new ATOM 355 N THR A 26 -2.592 4.956 7.549 1.00 0.00 N ATOM 356 CA THR A 26 -2.426 3.990 8.595 1.00 0.00 C ATOM 357 C THR A 26 -3.489 2.893 8.579 1.00 0.00 C ATOM 358 O THR A 26 -3.163 1.724 8.603 1.00 0.00 O ATOM 359 CB THR A 26 -2.511 4.708 9.927 1.00 0.00 C ATOM 360 OG1 THR A 26 -2.870 6.083 9.697 1.00 0.00 O ATOM 361 CG2 THR A 26 -1.194 4.631 10.672 1.00 0.00 C ATOM 0 H THR A 26 -2.572 5.919 7.886 1.00 0.00 H new ATOM 0 HA THR A 26 -1.459 3.511 8.440 1.00 0.00 H new ATOM 0 HB THR A 26 -3.270 4.224 10.541 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.929 6.554 10.555 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.283 5.154 11.624 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.940 3.587 10.854 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.410 5.096 10.074 1.00 0.00 H new ATOM 369 N ASP A 27 -4.754 3.298 8.562 1.00 0.00 N ATOM 370 CA ASP A 27 -5.882 2.366 8.523 1.00 0.00 C ATOM 371 C ASP A 27 -5.816 1.500 7.275 1.00 0.00 C ATOM 372 O ASP A 27 -6.293 0.367 7.249 1.00 0.00 O ATOM 373 CB ASP A 27 -7.205 3.135 8.562 1.00 0.00 C ATOM 374 CG ASP A 27 -8.402 2.226 8.725 1.00 0.00 C ATOM 375 OD1 ASP A 27 -8.447 1.470 9.721 1.00 0.00 O ATOM 376 OD2 ASP A 27 -9.319 2.287 7.878 1.00 0.00 O ATOM 0 H ASP A 27 -5.029 4.280 8.575 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.825 1.718 9.398 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.181 3.849 9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.313 3.711 7.643 1.00 0.00 H new ATOM 381 N LEU A 28 -5.197 2.045 6.248 1.00 0.00 N ATOM 382 CA LEU A 28 -5.015 1.342 5.000 1.00 0.00 C ATOM 383 C LEU A 28 -3.930 0.284 5.145 1.00 0.00 C ATOM 384 O LEU A 28 -4.142 -0.882 4.837 1.00 0.00 O ATOM 385 CB LEU A 28 -4.672 2.336 3.907 1.00 0.00 C ATOM 386 CG LEU A 28 -5.689 2.422 2.779 1.00 0.00 C ATOM 387 CD1 LEU A 28 -6.022 1.033 2.275 1.00 0.00 C ATOM 388 CD2 LEU A 28 -6.940 3.133 3.257 1.00 0.00 C ATOM 0 H LEU A 28 -4.807 2.987 6.257 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.940 0.833 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.563 3.324 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.703 2.069 3.484 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.261 2.995 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.751 1.104 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.116 0.553 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.439 0.441 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.661 3.189 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.376 2.581 4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.683 4.141 3.584 1.00 0.00 H new ATOM 400 N ILE A 29 -2.766 0.719 5.614 1.00 0.00 N ATOM 401 CA ILE A 29 -1.695 -0.150 6.050 1.00 0.00 C ATOM 402 C ILE A 29 -2.194 -1.193 7.055 1.00 0.00 C ATOM 403 O ILE A 29 -1.715 -2.320 7.077 1.00 0.00 O ATOM 404 CB ILE A 29 -0.606 0.706 6.727 1.00 0.00 C ATOM 405 CG1 ILE A 29 -0.055 1.784 5.784 1.00 0.00 C ATOM 406 CG2 ILE A 29 0.501 -0.158 7.243 1.00 0.00 C ATOM 407 CD1 ILE A 29 0.065 1.344 4.349 1.00 0.00 C ATOM 0 H ILE A 29 -2.542 1.710 5.701 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.300 -0.672 5.178 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.073 1.217 7.569 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.704 2.659 5.831 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.927 2.096 6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.259 0.466 7.717 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.103 -0.863 7.973 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.949 -0.708 6.415 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.462 2.163 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.738 0.489 4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.918 1.061 3.972 1.00 0.00 H new ATOM 419 N ALA A 30 -3.147 -0.805 7.878 1.00 0.00 N ATOM 420 CA ALA A 30 -3.742 -1.700 8.853 1.00 0.00 C ATOM 421 C ALA A 30 -4.390 -2.896 8.153 1.00 0.00 C ATOM 422 O ALA A 30 -4.081 -4.047 8.448 1.00 0.00 O ATOM 423 CB ALA A 30 -4.759 -0.929 9.692 1.00 0.00 C ATOM 0 H ALA A 30 -3.532 0.140 7.891 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.967 -2.087 9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.208 -1.599 10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.259 -0.109 10.207 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.537 -0.528 9.043 1.00 0.00 H new ATOM 429 N LEU A 31 -5.256 -2.599 7.189 1.00 0.00 N ATOM 430 CA LEU A 31 -5.886 -3.613 6.341 1.00 0.00 C ATOM 431 C LEU A 31 -4.857 -4.308 5.493 1.00 0.00 C ATOM 432 O LEU A 31 -5.014 -5.454 5.116 1.00 0.00 O ATOM 433 CB LEU A 31 -6.933 -2.970 5.445 1.00 0.00 C ATOM 434 CG LEU A 31 -7.998 -2.215 6.211 1.00 0.00 C ATOM 435 CD1 LEU A 31 -8.775 -1.288 5.287 1.00 0.00 C ATOM 436 CD2 LEU A 31 -8.937 -3.185 6.909 1.00 0.00 C ATOM 0 H LEU A 31 -5.544 -1.645 6.971 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.366 -4.348 6.987 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.439 -2.286 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.409 -3.743 4.842 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.506 -1.604 6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.535 -0.756 5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.092 -0.569 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.256 -1.874 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.697 -2.626 7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.418 -3.823 6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.370 -3.803 7.605 1.00 0.00 H new ATOM 448 N LEU A 32 -3.825 -3.588 5.163 1.00 0.00 N ATOM 449 CA LEU A 32 -2.762 -4.088 4.396 1.00 0.00 C ATOM 450 C LEU A 32 -2.041 -5.220 5.139 1.00 0.00 C ATOM 451 O LEU A 32 -1.804 -6.287 4.581 1.00 0.00 O ATOM 452 CB LEU A 32 -1.892 -2.885 4.170 1.00 0.00 C ATOM 453 CG LEU A 32 -0.906 -2.992 3.080 1.00 0.00 C ATOM 454 CD1 LEU A 32 -1.537 -3.557 1.840 1.00 0.00 C ATOM 455 CD2 LEU A 32 -0.313 -1.657 2.829 1.00 0.00 C ATOM 0 H LEU A 32 -3.713 -2.612 5.436 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.074 -4.537 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.536 -2.029 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.358 -2.669 5.095 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.113 -3.679 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.789 -3.626 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.932 -4.550 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.348 -2.905 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.418 -1.729 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.099 -0.957 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.179 -1.301 3.734 1.00 0.00 H new ATOM 467 N GLN A 33 -1.727 -4.993 6.407 1.00 0.00 N ATOM 468 CA GLN A 33 -1.101 -5.971 7.243 1.00 0.00 C ATOM 469 C GLN A 33 -2.064 -7.103 7.548 1.00 0.00 C ATOM 470 O GLN A 33 -1.723 -8.285 7.474 1.00 0.00 O ATOM 471 CB GLN A 33 -0.716 -5.259 8.519 1.00 0.00 C ATOM 472 CG GLN A 33 0.305 -4.174 8.312 1.00 0.00 C ATOM 473 CD GLN A 33 0.400 -3.257 9.509 1.00 0.00 C ATOM 474 OE1 GLN A 33 -0.589 -2.993 10.192 1.00 0.00 O ATOM 475 NE2 GLN A 33 1.593 -2.794 9.793 1.00 0.00 N ATOM 0 H GLN A 33 -1.909 -4.106 6.878 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.231 -6.406 6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.610 -4.826 8.969 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.323 -5.987 9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.279 -4.624 8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.043 -3.592 7.428 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.388 -3.036 9.202 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.726 -2.192 10.605 1.00 0.00 H new ATOM 484 N ALA A 34 -3.270 -6.696 7.876 1.00 0.00 N ATOM 485 CA ALA A 34 -4.345 -7.574 8.266 1.00 0.00 C ATOM 486 C ALA A 34 -4.766 -8.529 7.148 1.00 0.00 C ATOM 487 O ALA A 34 -4.808 -9.748 7.328 1.00 0.00 O ATOM 488 CB ALA A 34 -5.510 -6.695 8.673 1.00 0.00 C ATOM 0 H ALA A 34 -3.536 -5.711 7.878 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.010 -8.207 9.088 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.349 -7.321 8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.212 -6.058 9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.808 -6.073 7.829 1.00 0.00 H new ATOM 494 N ASP A 35 -5.076 -7.957 6.000 1.00 0.00 N ATOM 495 CA ASP A 35 -5.677 -8.688 4.894 1.00 0.00 C ATOM 496 C ASP A 35 -4.634 -9.155 3.889 1.00 0.00 C ATOM 497 O ASP A 35 -4.637 -10.320 3.485 1.00 0.00 O ATOM 498 CB ASP A 35 -6.710 -7.806 4.191 1.00 0.00 C ATOM 499 CG ASP A 35 -7.431 -8.523 3.074 1.00 0.00 C ATOM 500 OD1 ASP A 35 -6.929 -8.520 1.930 1.00 0.00 O ATOM 501 OD2 ASP A 35 -8.512 -9.091 3.331 1.00 0.00 O ATOM 0 H ASP A 35 -4.918 -6.968 5.805 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.162 -9.573 5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.439 -7.456 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.213 -6.923 3.788 1.00 0.00 H new ATOM 506 N CYS A 36 -3.732 -8.261 3.487 1.00 0.00 N ATOM 507 CA CYS A 36 -2.732 -8.613 2.499 1.00 0.00 C ATOM 508 C CYS A 36 -1.619 -9.435 3.129 1.00 0.00 C ATOM 509 O CYS A 36 -1.109 -10.377 2.531 1.00 0.00 O ATOM 510 CB CYS A 36 -2.153 -7.346 1.862 1.00 0.00 C ATOM 511 SG CYS A 36 -0.670 -7.623 0.869 1.00 0.00 S ATOM 0 H CYS A 36 -3.678 -7.302 3.829 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.209 -9.215 1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.917 -6.888 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.919 -6.631 2.651 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.617 -6.744 -0.087 1.00 0.00 H new ATOM 517 N GLY A 37 -1.277 -9.105 4.359 1.00 0.00 N ATOM 518 CA GLY A 37 -0.162 -9.755 5.008 1.00 0.00 C ATOM 519 C GLY A 37 1.043 -8.846 5.059 1.00 0.00 C ATOM 520 O GLY A 37 2.154 -9.288 5.360 1.00 0.00 O ATOM 0 H GLY A 37 -1.751 -8.398 4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.445 -10.046 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.091 -10.670 4.473 1.00 0.00 H new ATOM 524 N PHE A 38 0.817 -7.574 4.732 1.00 0.00 N ATOM 525 CA PHE A 38 1.812 -6.540 4.836 1.00 0.00 C ATOM 526 C PHE A 38 2.567 -6.612 6.140 1.00 0.00 C ATOM 527 O PHE A 38 1.999 -6.842 7.207 1.00 0.00 O ATOM 528 CB PHE A 38 1.108 -5.203 4.750 1.00 0.00 C ATOM 529 CG PHE A 38 1.994 -4.031 4.548 1.00 0.00 C ATOM 530 CD1 PHE A 38 3.134 -4.222 3.902 1.00 0.00 C ATOM 531 CD2 PHE A 38 1.706 -2.777 5.027 1.00 0.00 C ATOM 532 CE1 PHE A 38 4.016 -3.261 3.669 1.00 0.00 C ATOM 533 CE2 PHE A 38 2.596 -1.755 4.794 1.00 0.00 C ATOM 534 CZ PHE A 38 3.759 -2.028 4.093 1.00 0.00 C ATOM 0 H PHE A 38 -0.082 -7.241 4.383 1.00 0.00 H new ATOM 0 HA PHE A 38 2.533 -6.668 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.391 -5.241 3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.537 -5.052 5.666 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.357 -5.217 3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.795 -2.596 5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.933 -3.477 3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.392 -0.757 5.151 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.462 -1.233 3.890 1.00 0.00 H new ATOM 544 N ASP A 39 3.846 -6.397 6.033 1.00 0.00 N ATOM 545 CA ASP A 39 4.692 -6.299 7.165 1.00 0.00 C ATOM 546 C ASP A 39 5.834 -5.400 6.795 1.00 0.00 C ATOM 547 O ASP A 39 6.771 -5.816 6.133 1.00 0.00 O ATOM 548 CB ASP A 39 5.228 -7.645 7.611 1.00 0.00 C ATOM 549 CG ASP A 39 5.802 -7.565 9.005 1.00 0.00 C ATOM 550 OD1 ASP A 39 5.984 -6.435 9.505 1.00 0.00 O ATOM 551 OD2 ASP A 39 6.076 -8.619 9.608 1.00 0.00 O ATOM 0 H ASP A 39 4.328 -6.285 5.141 1.00 0.00 H new ATOM 0 HA ASP A 39 4.116 -5.901 8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.428 -8.385 7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.997 -7.982 6.916 1.00 0.00 H new ATOM 556 N LYS A 40 5.726 -4.167 7.201 1.00 0.00 N ATOM 557 CA LYS A 40 6.724 -3.166 6.946 1.00 0.00 C ATOM 558 C LYS A 40 8.102 -3.590 7.461 1.00 0.00 C ATOM 559 O LYS A 40 9.129 -3.095 6.995 1.00 0.00 O ATOM 560 CB LYS A 40 6.309 -1.926 7.709 1.00 0.00 C ATOM 561 CG LYS A 40 4.878 -1.540 7.446 1.00 0.00 C ATOM 562 CD LYS A 40 4.846 -0.402 6.504 1.00 0.00 C ATOM 563 CE LYS A 40 5.639 0.789 7.026 1.00 0.00 C ATOM 564 NZ LYS A 40 5.544 1.966 6.128 1.00 0.00 N ATOM 0 H LYS A 40 4.925 -3.822 7.730 1.00 0.00 H new ATOM 0 HA LYS A 40 6.797 -3.002 5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.445 -2.098 8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.962 -1.098 7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.331 -2.387 7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.385 -1.269 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.252 -0.715 5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.812 -0.102 6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.273 1.060 8.016 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.685 0.505 7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.099 2.751 6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.917 1.718 5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.549 2.256 6.040 1.00 0.00 H new ATOM 578 N THR A 41 8.109 -4.515 8.416 1.00 0.00 N ATOM 579 CA THR A 41 9.313 -4.870 9.146 1.00 0.00 C ATOM 580 C THR A 41 10.197 -5.747 8.286 1.00 0.00 C ATOM 581 O THR A 41 11.384 -5.926 8.562 1.00 0.00 O ATOM 582 CB THR A 41 8.996 -5.588 10.466 1.00 0.00 C ATOM 583 OG1 THR A 41 8.390 -6.859 10.212 1.00 0.00 O ATOM 584 CG2 THR A 41 8.078 -4.747 11.339 1.00 0.00 C ATOM 0 H THR A 41 7.280 -5.036 8.702 1.00 0.00 H new ATOM 0 HA THR A 41 9.834 -3.944 9.390 1.00 0.00 H new ATOM 0 HB THR A 41 9.936 -5.740 10.996 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.418 -6.785 10.315 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.870 -5.280 12.267 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.562 -3.797 11.566 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.143 -4.561 10.810 1.00 0.00 H new ATOM 592 N LYS A 42 9.596 -6.291 7.238 1.00 0.00 N ATOM 593 CA LYS A 42 10.302 -6.821 6.156 1.00 0.00 C ATOM 594 C LYS A 42 9.263 -6.945 5.102 1.00 0.00 C ATOM 595 O LYS A 42 8.537 -7.902 5.012 1.00 0.00 O ATOM 596 CB LYS A 42 10.900 -8.158 6.553 1.00 0.00 C ATOM 597 CG LYS A 42 9.848 -9.192 6.830 1.00 0.00 C ATOM 598 CD LYS A 42 9.633 -9.517 8.293 1.00 0.00 C ATOM 599 CE LYS A 42 8.440 -10.454 8.435 1.00 0.00 C ATOM 600 NZ LYS A 42 7.957 -10.556 9.836 1.00 0.00 N ATOM 0 H LYS A 42 8.583 -6.362 7.146 1.00 0.00 H new ATOM 0 HA LYS A 42 11.142 -6.215 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.554 -8.512 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.520 -8.027 7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.904 -8.848 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.116 -10.109 6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.527 -9.983 8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.459 -8.601 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.628 -10.101 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.717 -11.446 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.559 -11.503 9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.751 -10.398 10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.223 -9.839 10.003 1.00 0.00 H new ATOM 614 N HIS A 43 9.187 -5.880 4.374 1.00 0.00 N ATOM 615 CA HIS A 43 8.597 -5.769 3.099 1.00 0.00 C ATOM 616 C HIS A 43 8.990 -4.458 2.533 1.00 0.00 C ATOM 617 O HIS A 43 9.580 -3.617 3.207 1.00 0.00 O ATOM 618 CB HIS A 43 7.101 -5.790 3.158 1.00 0.00 C ATOM 619 CG HIS A 43 6.536 -7.134 3.309 1.00 0.00 C ATOM 620 ND1 HIS A 43 5.359 -7.358 3.923 1.00 0.00 N ATOM 621 CD2 HIS A 43 7.048 -8.330 2.985 1.00 0.00 C ATOM 622 CE1 HIS A 43 5.150 -8.636 4.010 1.00 0.00 C ATOM 623 NE2 HIS A 43 6.159 -9.275 3.436 1.00 0.00 N ATOM 0 H HIS A 43 9.573 -4.992 4.694 1.00 0.00 H new ATOM 0 HA HIS A 43 8.933 -6.615 2.499 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.770 -5.171 3.992 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.704 -5.339 2.249 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.979 -8.515 2.469 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.294 -9.102 4.474 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.258 -10.286 3.345 1.00 0.00 H new ATOM 632 N ASP A 44 8.631 -4.293 1.319 1.00 0.00 N ATOM 633 CA ASP A 44 8.505 -3.000 0.767 1.00 0.00 C ATOM 634 C ASP A 44 7.179 -2.917 0.107 1.00 0.00 C ATOM 635 O ASP A 44 6.802 -3.749 -0.673 1.00 0.00 O ATOM 636 CB ASP A 44 9.562 -2.647 -0.260 1.00 0.00 C ATOM 637 CG ASP A 44 10.953 -3.113 0.098 1.00 0.00 C ATOM 638 OD1 ASP A 44 11.286 -4.279 -0.200 1.00 0.00 O ATOM 639 OD2 ASP A 44 11.728 -2.313 0.661 1.00 0.00 O ATOM 0 H ASP A 44 8.415 -5.054 0.675 1.00 0.00 H new ATOM 0 HA ASP A 44 8.625 -2.295 1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.281 -3.082 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.576 -1.565 -0.393 1.00 0.00 H new ATOM 644 N LEU A 45 6.488 -1.910 0.407 1.00 0.00 N ATOM 645 CA LEU A 45 5.284 -1.659 -0.152 1.00 0.00 C ATOM 646 C LEU A 45 5.419 -0.632 -1.261 1.00 0.00 C ATOM 647 O LEU A 45 6.025 0.413 -1.082 1.00 0.00 O ATOM 648 CB LEU A 45 4.452 -1.194 0.970 1.00 0.00 C ATOM 649 CG LEU A 45 3.268 -0.497 0.523 1.00 0.00 C ATOM 650 CD1 LEU A 45 2.506 -1.358 -0.423 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.420 -0.240 1.653 1.00 0.00 C ATOM 0 H LEU A 45 6.781 -1.211 1.090 1.00 0.00 H new ATOM 0 HA LEU A 45 4.836 -2.529 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.159 -2.048 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.041 -0.534 1.607 1.00 0.00 H new ATOM 0 HG LEU A 45 3.566 0.432 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.614 -0.829 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.132 -1.596 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.214 -2.280 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.524 0.286 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.136 -1.184 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.955 0.374 2.377 1.00 0.00 H new ATOM 663 N TYR A 46 4.879 -0.946 -2.408 1.00 0.00 N ATOM 664 CA TYR A 46 4.982 -0.065 -3.534 1.00 0.00 C ATOM 665 C TYR A 46 3.772 0.804 -3.663 1.00 0.00 C ATOM 666 O TYR A 46 2.675 0.465 -3.249 1.00 0.00 O ATOM 667 CB TYR A 46 5.188 -0.811 -4.853 1.00 0.00 C ATOM 668 CG TYR A 46 6.492 -1.455 -4.968 1.00 0.00 C ATOM 669 CD1 TYR A 46 7.098 -1.725 -3.845 1.00 0.00 C ATOM 670 CD2 TYR A 46 7.109 -1.719 -6.165 1.00 0.00 C ATOM 671 CE1 TYR A 46 8.311 -2.240 -3.773 1.00 0.00 C ATOM 672 CE2 TYR A 46 8.360 -2.271 -6.171 1.00 0.00 C ATOM 673 CZ TYR A 46 8.982 -2.525 -4.973 1.00 0.00 C ATOM 674 OH TYR A 46 10.257 -3.028 -4.995 1.00 0.00 O ATOM 0 H TYR A 46 4.363 -1.808 -2.585 1.00 0.00 H new ATOM 0 HA TYR A 46 5.862 0.549 -3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.410 -1.567 -4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.065 -0.110 -5.679 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.578 -1.515 -2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.610 -1.492 -7.096 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.775 -2.437 -2.818 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.852 -2.504 -7.104 1.00 0.00 H new ATOM 0 HH TYR A 46 10.542 -3.157 -5.924 1.00 0.00 H new ATOM 684 N TYR A 47 4.031 1.935 -4.233 1.00 0.00 N ATOM 685 CA TYR A 47 3.064 2.942 -4.426 1.00 0.00 C ATOM 686 C TYR A 47 3.350 3.771 -5.672 1.00 0.00 C ATOM 687 O TYR A 47 4.273 4.572 -5.690 1.00 0.00 O ATOM 688 CB TYR A 47 3.068 3.775 -3.176 1.00 0.00 C ATOM 689 CG TYR A 47 2.166 4.846 -3.274 1.00 0.00 C ATOM 690 CD1 TYR A 47 0.984 4.477 -3.707 1.00 0.00 C ATOM 691 CD2 TYR A 47 2.417 6.148 -2.899 1.00 0.00 C ATOM 692 CE1 TYR A 47 0.012 5.327 -3.802 1.00 0.00 C ATOM 693 CE2 TYR A 47 1.414 7.073 -3.003 1.00 0.00 C ATOM 694 CZ TYR A 47 0.187 6.650 -3.465 1.00 0.00 C ATOM 695 OH TYR A 47 -0.852 7.535 -3.586 1.00 0.00 O ATOM 0 H TYR A 47 4.956 2.183 -4.586 1.00 0.00 H new ATOM 0 HA TYR A 47 2.078 2.510 -4.596 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.805 3.152 -2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.072 4.158 -2.995 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.819 3.448 -3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.390 6.434 -2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.953 4.992 -4.152 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.580 8.105 -2.731 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.396 7.297 -4.366 1.00 0.00 H new ATOM 878 N SER A 59 -0.142 10.720 4.284 1.00 0.00 N ATOM 879 CA SER A 59 -1.424 10.081 4.239 1.00 0.00 C ATOM 880 C SER A 59 -1.887 9.751 2.848 1.00 0.00 C ATOM 881 O SER A 59 -1.260 10.113 1.883 1.00 0.00 O ATOM 882 CB SER A 59 -2.428 10.984 4.877 1.00 0.00 C ATOM 883 OG SER A 59 -1.811 12.088 5.509 1.00 0.00 O ATOM 0 HA SER A 59 -1.326 9.135 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.128 11.341 4.122 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.009 10.423 5.609 1.00 0.00 H new ATOM 0 HG SER A 59 -0.880 12.157 5.212 1.00 0.00 H new ATOM 889 N LEU A 60 -3.017 9.073 2.787 1.00 0.00 N ATOM 890 CA LEU A 60 -3.671 8.751 1.509 1.00 0.00 C ATOM 891 C LEU A 60 -3.670 9.942 0.561 1.00 0.00 C ATOM 892 O LEU A 60 -3.171 9.861 -0.562 1.00 0.00 O ATOM 893 CB LEU A 60 -5.145 8.447 1.727 1.00 0.00 C ATOM 894 CG LEU A 60 -5.505 7.545 2.882 1.00 0.00 C ATOM 895 CD1 LEU A 60 -6.889 7.881 3.337 1.00 0.00 C ATOM 896 CD2 LEU A 60 -5.432 6.108 2.470 1.00 0.00 C ATOM 0 H LEU A 60 -3.513 8.727 3.608 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.118 7.906 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.667 9.394 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.535 7.997 0.814 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.798 7.697 3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.164 7.237 4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.924 8.923 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.589 7.729 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.695 5.473 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.129 5.928 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.419 5.875 2.142 1.00 0.00 H new ATOM 908 N LYS A 61 -4.217 11.055 1.030 1.00 0.00 N ATOM 909 CA LYS A 61 -4.291 12.248 0.215 1.00 0.00 C ATOM 910 C LYS A 61 -2.941 12.905 0.015 1.00 0.00 C ATOM 911 O LYS A 61 -2.729 13.609 -0.970 1.00 0.00 O ATOM 912 CB LYS A 61 -5.381 13.228 0.646 1.00 0.00 C ATOM 913 CG LYS A 61 -5.697 13.123 2.089 1.00 0.00 C ATOM 914 CD LYS A 61 -4.426 13.279 2.846 1.00 0.00 C ATOM 915 CE LYS A 61 -4.687 13.562 4.322 1.00 0.00 C ATOM 916 NZ LYS A 61 -3.500 14.106 5.034 1.00 0.00 N ATOM 0 H LYS A 61 -4.612 11.152 1.965 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.607 11.902 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.061 14.245 0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.284 13.041 0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.412 13.893 2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.157 12.160 2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.829 12.372 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.842 14.093 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.511 14.270 4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.005 12.641 4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.792 14.481 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.801 13.349 5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.076 14.870 4.469 1.00 0.00 H new ATOM 930 N GLU A 62 -2.018 12.668 0.938 1.00 0.00 N ATOM 931 CA GLU A 62 -0.681 13.233 0.795 1.00 0.00 C ATOM 932 C GLU A 62 0.165 12.367 -0.129 1.00 0.00 C ATOM 933 O GLU A 62 1.078 12.853 -0.796 1.00 0.00 O ATOM 934 CB GLU A 62 -0.011 13.376 2.140 1.00 0.00 C ATOM 935 CG GLU A 62 -0.860 14.112 3.149 1.00 0.00 C ATOM 936 CD GLU A 62 -0.097 14.455 4.407 1.00 0.00 C ATOM 937 OE1 GLU A 62 0.480 13.537 5.017 1.00 0.00 O ATOM 938 OE2 GLU A 62 -0.082 15.639 4.790 1.00 0.00 O ATOM 0 H GLU A 62 -2.163 12.103 1.775 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.776 14.225 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.227 12.386 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.934 13.905 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.242 15.028 2.698 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.724 13.500 3.408 1.00 0.00 H new ATOM 945 N LEU A 63 -0.137 11.079 -0.138 1.00 0.00 N ATOM 946 CA LEU A 63 0.486 10.143 -1.064 1.00 0.00 C ATOM 947 C LEU A 63 0.116 10.513 -2.480 1.00 0.00 C ATOM 948 O LEU A 63 0.968 10.584 -3.370 1.00 0.00 O ATOM 949 CB LEU A 63 0.038 8.690 -0.826 1.00 0.00 C ATOM 950 CG LEU A 63 0.402 8.062 0.517 1.00 0.00 C ATOM 951 CD1 LEU A 63 -0.287 6.713 0.654 1.00 0.00 C ATOM 952 CD2 LEU A 63 1.907 7.893 0.632 1.00 0.00 C ATOM 0 H LEU A 63 -0.817 10.653 0.492 1.00 0.00 H new ATOM 0 HA LEU A 63 1.562 10.206 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.046 8.647 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.464 8.071 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 63 0.066 8.720 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.026 6.267 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.367 6.849 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.037 6.055 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.150 7.444 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.263 7.246 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.390 8.867 0.554 1.00 0.00 H new ATOM 964 N GLY A 64 -1.169 10.771 -2.677 1.00 0.00 N ATOM 965 CA GLY A 64 -1.681 11.006 -3.997 1.00 0.00 C ATOM 966 C GLY A 64 -2.597 9.884 -4.431 1.00 0.00 C ATOM 967 O GLY A 64 -2.724 9.620 -5.618 1.00 0.00 O ATOM 0 H GLY A 64 -1.866 10.820 -1.934 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.223 11.951 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.854 11.098 -4.701 1.00 0.00 H new ATOM 971 N LEU A 65 -3.265 9.246 -3.466 1.00 0.00 N ATOM 972 CA LEU A 65 -4.105 8.082 -3.764 1.00 0.00 C ATOM 973 C LEU A 65 -5.409 8.503 -4.434 1.00 0.00 C ATOM 974 O LEU A 65 -5.831 9.658 -4.347 1.00 0.00 O ATOM 975 CB LEU A 65 -4.421 7.280 -2.497 1.00 0.00 C ATOM 976 CG LEU A 65 -3.369 6.296 -2.014 1.00 0.00 C ATOM 977 CD1 LEU A 65 -3.613 5.931 -0.560 1.00 0.00 C ATOM 978 CD2 LEU A 65 -3.368 5.036 -2.851 1.00 0.00 C ATOM 0 H LEU A 65 -3.242 9.512 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.540 7.449 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.617 7.987 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.345 6.728 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.398 6.781 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.851 5.225 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.566 6.830 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.598 5.475 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.604 4.353 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.345 4.557 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.154 5.289 -3.889 1.00 0.00 H new ATOM 990 N LYS A 66 -6.037 7.532 -5.072 1.00 0.00 N ATOM 991 CA LYS A 66 -7.239 7.812 -5.872 1.00 0.00 C ATOM 992 C LYS A 66 -7.942 6.590 -6.461 1.00 0.00 C ATOM 993 O LYS A 66 -7.745 5.455 -6.030 1.00 0.00 O ATOM 994 CB LYS A 66 -6.924 8.794 -7.018 1.00 0.00 C ATOM 995 CG LYS A 66 -6.073 8.211 -8.141 1.00 0.00 C ATOM 996 CD LYS A 66 -4.596 8.252 -7.821 1.00 0.00 C ATOM 997 CE LYS A 66 -3.945 9.543 -8.309 1.00 0.00 C ATOM 998 NZ LYS A 66 -4.449 10.746 -7.593 1.00 0.00 N ATOM 0 H LYS A 66 -5.749 6.554 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.931 8.247 -5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.863 9.151 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.410 9.661 -6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.374 7.180 -8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.259 8.766 -9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.455 8.158 -6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.100 7.398 -8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.865 9.473 -8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.130 9.657 -9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.861 11.568 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.434 10.929 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.405 10.583 -6.567 1.00 0.00 H new ATOM 1012 N THR A 67 -8.746 6.883 -7.484 1.00 0.00 N ATOM 1013 CA THR A 67 -9.595 5.914 -8.172 1.00 0.00 C ATOM 1014 C THR A 67 -8.767 4.894 -8.950 1.00 0.00 C ATOM 1015 O THR A 67 -9.242 3.817 -9.297 1.00 0.00 O ATOM 1016 CB THR A 67 -10.544 6.657 -9.144 1.00 0.00 C ATOM 1017 OG1 THR A 67 -11.333 7.606 -8.418 1.00 0.00 O ATOM 1018 CG2 THR A 67 -11.463 5.702 -9.893 1.00 0.00 C ATOM 0 H THR A 67 -8.826 7.826 -7.866 1.00 0.00 H new ATOM 0 HA THR A 67 -10.172 5.377 -7.419 1.00 0.00 H new ATOM 0 HB THR A 67 -9.923 7.166 -9.881 1.00 0.00 H new ATOM 0 HG1 THR A 67 -11.931 8.075 -9.036 1.00 0.00 H new ATOM 0 HG21 THR A 67 -12.110 6.269 -10.562 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.864 5.002 -10.475 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.074 5.150 -9.179 1.00 0.00 H new ATOM 1026 N ASP A 68 -7.517 5.217 -9.200 1.00 0.00 N ATOM 1027 CA ASP A 68 -6.682 4.362 -10.023 1.00 0.00 C ATOM 1028 C ASP A 68 -5.382 4.108 -9.317 1.00 0.00 C ATOM 1029 O ASP A 68 -4.358 3.852 -9.952 1.00 0.00 O ATOM 1030 CB ASP A 68 -6.415 4.993 -11.394 1.00 0.00 C ATOM 1031 CG ASP A 68 -7.662 5.097 -12.245 1.00 0.00 C ATOM 1032 OD1 ASP A 68 -8.006 4.112 -12.937 1.00 0.00 O ATOM 1033 OD2 ASP A 68 -8.303 6.169 -12.232 1.00 0.00 O ATOM 0 H ASP A 68 -7.057 6.057 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.208 3.421 -10.185 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.992 5.988 -11.255 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.668 4.400 -11.922 1.00 0.00 H new ATOM 1038 N ASP A 69 -5.410 4.187 -7.996 1.00 0.00 N ATOM 1039 CA ASP A 69 -4.194 4.023 -7.245 1.00 0.00 C ATOM 1040 C ASP A 69 -4.126 2.616 -6.670 1.00 0.00 C ATOM 1041 O ASP A 69 -5.045 1.821 -6.845 1.00 0.00 O ATOM 1042 CB ASP A 69 -4.075 5.087 -6.162 1.00 0.00 C ATOM 1043 CG ASP A 69 -2.635 5.487 -5.916 1.00 0.00 C ATOM 1044 OD1 ASP A 69 -1.775 4.600 -5.851 1.00 0.00 O ATOM 1045 OD2 ASP A 69 -2.367 6.696 -5.796 1.00 0.00 O ATOM 0 H ASP A 69 -6.247 4.360 -7.439 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.343 4.155 -7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.651 5.966 -6.452 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.510 4.712 -5.236 1.00 0.00 H new ATOM 1050 N LEU A 70 -3.042 2.326 -5.986 1.00 0.00 N ATOM 1051 CA LEU A 70 -2.632 0.959 -5.702 1.00 0.00 C ATOM 1052 C LEU A 70 -1.535 0.927 -4.662 1.00 0.00 C ATOM 1053 O LEU A 70 -0.890 1.945 -4.419 1.00 0.00 O ATOM 1054 CB LEU A 70 -2.148 0.264 -6.965 1.00 0.00 C ATOM 1055 CG LEU A 70 -0.873 0.772 -7.586 1.00 0.00 C ATOM 1056 CD1 LEU A 70 -0.883 2.265 -7.586 1.00 0.00 C ATOM 1057 CD2 LEU A 70 0.387 0.224 -6.929 1.00 0.00 C ATOM 0 H LEU A 70 -2.412 3.033 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.504 0.431 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.015 -0.794 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.938 0.333 -7.712 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.842 0.404 -8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.039 2.635 -8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.736 2.623 -8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.959 2.628 -6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.265 0.633 -7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.402 0.509 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.397 -0.863 -7.011 1.00 0.00 H new ATOM 1069 N LEU A 71 -1.315 -0.211 -4.024 1.00 0.00 N ATOM 1070 CA LEU A 71 -0.026 -0.436 -3.447 1.00 0.00 C ATOM 1071 C LEU A 71 0.388 -1.890 -3.621 1.00 0.00 C ATOM 1072 O LEU A 71 -0.426 -2.759 -3.945 1.00 0.00 O ATOM 1073 CB LEU A 71 -0.062 -0.018 -2.001 1.00 0.00 C ATOM 1074 CG LEU A 71 -1.147 -0.715 -1.260 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -0.642 -2.013 -0.728 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -1.741 0.171 -0.200 1.00 0.00 C ATOM 0 H LEU A 71 -1.994 -0.962 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 71 0.727 0.164 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.898 -0.237 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.210 1.060 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.964 -0.942 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.441 -2.520 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.310 -2.641 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.194 -1.829 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.531 -0.367 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.966 0.459 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.157 1.065 -0.664 1.00 0.00 H new ATOM 1088 N LEU A 72 1.658 -2.133 -3.407 1.00 0.00 N ATOM 1089 CA LEU A 72 2.226 -3.491 -3.583 1.00 0.00 C ATOM 1090 C LEU A 72 3.039 -3.990 -2.431 1.00 0.00 C ATOM 1091 O LEU A 72 3.855 -3.305 -1.872 1.00 0.00 O ATOM 1092 CB LEU A 72 3.107 -3.597 -4.797 1.00 0.00 C ATOM 1093 CG LEU A 72 2.340 -3.502 -6.090 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.797 -2.317 -6.924 1.00 0.00 C ATOM 1095 CD2 LEU A 72 2.455 -4.800 -6.864 1.00 0.00 C ATOM 0 H LEU A 72 2.333 -1.427 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 72 1.331 -4.105 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.856 -2.806 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.644 -4.545 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 72 1.289 -3.336 -5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.222 -2.280 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.641 -1.396 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.856 -2.424 -7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.896 -4.718 -7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.503 -5.000 -7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.048 -5.617 -6.268 1.00 0.00 H new ATOM 1107 N ILE A 73 2.891 -5.240 -2.176 1.00 0.00 N ATOM 1108 CA ILE A 73 3.644 -5.851 -1.063 1.00 0.00 C ATOM 1109 C ILE A 73 4.788 -6.665 -1.486 1.00 0.00 C ATOM 1110 O ILE A 73 4.661 -7.829 -1.821 1.00 0.00 O ATOM 1111 CB ILE A 73 2.807 -6.669 -0.077 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.096 -5.685 0.759 1.00 0.00 C ATOM 1113 CG2 ILE A 73 3.639 -7.593 0.815 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.932 -4.446 0.996 1.00 0.00 C ATOM 0 H ILE A 73 2.279 -5.874 -2.690 1.00 0.00 H new ATOM 0 HA ILE A 73 4.007 -4.965 -0.541 1.00 0.00 H new ATOM 0 HB ILE A 73 2.139 -7.326 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.160 -5.406 0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.838 -6.139 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.979 -8.141 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.191 -8.299 0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.341 -6.999 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.374 -3.744 1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.857 -4.722 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.168 -3.978 0.040 1.00 0.00 H new ATOM 1126 N ARG A 74 5.933 -6.099 -1.364 1.00 0.00 N ATOM 1127 CA ARG A 74 7.076 -6.876 -1.712 1.00 0.00 C ATOM 1128 C ARG A 74 7.802 -7.216 -0.469 1.00 0.00 C ATOM 1129 O ARG A 74 7.341 -6.934 0.611 1.00 0.00 O ATOM 1130 CB ARG A 74 8.010 -6.163 -2.641 1.00 0.00 C ATOM 1131 CG ARG A 74 8.822 -5.118 -1.961 1.00 0.00 C ATOM 1132 CD ARG A 74 9.912 -4.608 -2.836 1.00 0.00 C ATOM 1133 NE ARG A 74 11.107 -5.441 -2.793 1.00 0.00 N ATOM 1134 CZ ARG A 74 12.318 -4.988 -3.082 1.00 0.00 C ATOM 1135 NH1 ARG A 74 12.476 -3.794 -3.624 1.00 0.00 N ATOM 1136 NH2 ARG A 74 13.377 -5.731 -2.843 1.00 0.00 N ATOM 0 H ARG A 74 6.107 -5.147 -1.042 1.00 0.00 H new ATOM 0 HA ARG A 74 6.725 -7.766 -2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.678 -6.890 -3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.434 -5.702 -3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.176 -4.291 -1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.252 -5.529 -1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.551 -4.551 -3.863 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.171 -3.594 -2.533 1.00 0.00 H new ATOM 0 HE ARG A 74 11.006 -6.421 -2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.662 -3.213 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.412 -3.453 -3.843 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.267 -6.659 -2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.308 -5.379 -3.067 1.00 0.00 H new