USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 ASN : amide:sc= 0.467 K(o=1.4,f=-2.8) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -149:sc= 0.899 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0755 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 8 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.12) USER MOD Single : A 11 GLN :FLIP amide:sc= 0.00177 F(o=-0.82,f=0.0018) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -3.83 K(o=-3.8,f=-9.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -173:sc=-0.00482 (180deg=-0.0822) USER MOD Single : A 56 HIS : no HE2:sc= -0.111 X(o=-0.11,f=-0.083) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -0.404 F(o=-0.99,f=-0.4) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 51:sc= 0.113 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= -0.101 (180deg=-0.6) USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0307) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 11.282 -7.176 -5.036 1.00 0.00 N ATOM 12 CA LEU A 2 10.428 -6.611 -6.088 1.00 0.00 C ATOM 13 C LEU A 2 9.674 -7.718 -6.831 1.00 0.00 C ATOM 14 O LEU A 2 10.253 -8.435 -7.650 1.00 0.00 O ATOM 15 CB LEU A 2 11.257 -5.783 -7.086 1.00 0.00 C ATOM 16 CG LEU A 2 11.835 -4.466 -6.539 1.00 0.00 C ATOM 17 CD1 LEU A 2 12.719 -3.834 -7.621 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.727 -3.483 -6.133 1.00 0.00 C ATOM 0 HA LEU A 2 9.703 -5.954 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.081 -6.399 -7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.631 -5.554 -7.948 1.00 0.00 H new ATOM 0 HG LEU A 2 12.419 -4.686 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 2 13.137 -2.899 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.529 -4.518 -7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 2 12.120 -3.636 -8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.176 -2.566 -5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.110 -3.251 -7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.108 -3.933 -5.357 1.00 0.00 H new ATOM 30 N THR A 3 8.389 -7.880 -6.536 1.00 0.00 N ATOM 31 CA THR A 3 7.486 -8.872 -7.111 1.00 0.00 C ATOM 32 C THR A 3 6.064 -8.270 -7.062 1.00 0.00 C ATOM 33 O THR A 3 5.850 -7.213 -6.456 1.00 0.00 O ATOM 34 CB THR A 3 7.670 -10.186 -6.312 1.00 0.00 C ATOM 35 OG1 THR A 3 9.023 -10.621 -6.368 1.00 0.00 O ATOM 36 CG2 THR A 3 6.817 -11.372 -6.772 1.00 0.00 C ATOM 0 H THR A 3 7.922 -7.288 -5.849 1.00 0.00 H new ATOM 0 HA THR A 3 7.689 -9.117 -8.154 1.00 0.00 H new ATOM 0 HB THR A 3 7.346 -9.914 -5.307 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.121 -11.451 -5.857 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.027 -12.237 -6.143 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.761 -11.113 -6.692 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.055 -11.611 -7.809 1.00 0.00 H new ATOM 44 N THR A 4 5.085 -8.913 -7.697 1.00 0.00 N ATOM 45 CA THR A 4 3.694 -8.473 -7.749 1.00 0.00 C ATOM 46 C THR A 4 2.808 -9.602 -7.214 1.00 0.00 C ATOM 47 O THR A 4 3.183 -10.772 -7.347 1.00 0.00 O ATOM 48 CB THR A 4 3.351 -8.101 -9.207 1.00 0.00 C ATOM 49 OG1 THR A 4 3.629 -9.172 -10.090 1.00 0.00 O ATOM 50 CG2 THR A 4 4.182 -6.917 -9.707 1.00 0.00 C ATOM 0 H THR A 4 5.245 -9.783 -8.206 1.00 0.00 H new ATOM 0 HA THR A 4 3.526 -7.592 -7.130 1.00 0.00 H new ATOM 0 HB THR A 4 2.289 -7.854 -9.201 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.401 -8.909 -11.006 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.908 -6.689 -10.737 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.990 -6.047 -9.080 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.241 -7.171 -9.661 1.00 0.00 H new ATOM 58 N ILE A 5 1.664 -9.282 -6.599 1.00 0.00 N ATOM 59 CA ILE A 5 0.737 -10.279 -6.060 1.00 0.00 C ATOM 60 C ILE A 5 -0.708 -9.932 -6.437 1.00 0.00 C ATOM 61 O ILE A 5 -1.014 -8.786 -6.785 1.00 0.00 O ATOM 62 CB ILE A 5 0.926 -10.543 -4.542 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.320 -9.482 -3.594 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.389 -10.864 -4.181 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.879 -8.066 -3.754 1.00 0.00 C ATOM 0 H ILE A 5 1.355 -8.320 -6.461 1.00 0.00 H new ATOM 0 HA ILE A 5 0.980 -11.232 -6.530 1.00 0.00 H new ATOM 0 HB ILE A 5 0.326 -11.435 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.758 -9.450 -3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.480 -9.804 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.469 -11.041 -3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.710 -11.755 -4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.025 -10.023 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.389 -7.399 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.952 -8.075 -3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.695 -7.715 -4.769 1.00 0.00 H new ATOM 77 N SER A 6 -1.569 -10.947 -6.357 1.00 0.00 N ATOM 78 CA SER A 6 -2.993 -10.908 -6.659 1.00 0.00 C ATOM 79 C SER A 6 -3.760 -10.015 -5.663 1.00 0.00 C ATOM 80 O SER A 6 -3.309 -9.855 -4.524 1.00 0.00 O ATOM 81 CB SER A 6 -3.513 -12.345 -6.565 1.00 0.00 C ATOM 82 OG SER A 6 -2.839 -13.245 -7.430 1.00 0.00 O ATOM 0 H SER A 6 -1.267 -11.875 -6.060 1.00 0.00 H new ATOM 0 HA SER A 6 -3.146 -10.488 -7.653 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.410 -12.694 -5.538 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.577 -12.355 -6.800 1.00 0.00 H new ATOM 0 HG SER A 6 -3.214 -14.144 -7.323 1.00 0.00 H new ATOM 88 N PRO A 7 -4.970 -9.534 -6.014 1.00 0.00 N ATOM 89 CA PRO A 7 -5.776 -8.663 -5.161 1.00 0.00 C ATOM 90 C PRO A 7 -6.220 -9.190 -3.784 1.00 0.00 C ATOM 91 O PRO A 7 -6.799 -8.390 -3.048 1.00 0.00 O ATOM 92 CB PRO A 7 -6.948 -8.171 -6.018 1.00 0.00 C ATOM 93 CG PRO A 7 -7.015 -9.144 -7.188 1.00 0.00 C ATOM 94 CD PRO A 7 -5.587 -9.662 -7.328 1.00 0.00 C ATOM 0 HA PRO A 7 -5.120 -7.855 -4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.879 -8.171 -5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.784 -7.150 -6.362 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.715 -9.956 -6.991 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.350 -8.648 -8.099 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.582 -10.700 -7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.037 -9.087 -8.073 1.00 0.00 H new ATOM 102 N HIS A 8 -5.993 -10.451 -3.398 1.00 0.00 N ATOM 103 CA HIS A 8 -6.361 -11.001 -2.080 1.00 0.00 C ATOM 104 C HIS A 8 -5.121 -11.547 -1.370 1.00 0.00 C ATOM 105 O HIS A 8 -5.097 -11.624 -0.143 1.00 0.00 O ATOM 106 CB HIS A 8 -7.451 -12.078 -2.171 1.00 0.00 C ATOM 107 CG HIS A 8 -8.290 -12.187 -0.921 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.457 -11.500 -0.688 1.00 0.00 N ATOM 109 CD2 HIS A 8 -8.065 -12.998 0.157 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.946 -11.899 0.496 1.00 0.00 C ATOM 111 NE2 HIS A 8 -9.132 -12.817 1.048 1.00 0.00 N ATOM 0 H HIS A 8 -5.539 -11.135 -4.003 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.779 -10.181 -1.496 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.101 -11.857 -3.018 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.983 -13.042 -2.371 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.221 -13.657 0.296 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.860 -11.536 0.941 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.265 -13.290 1.942 1.00 0.00 H new ATOM 119 N ASP A 9 -4.071 -11.883 -2.130 1.00 0.00 N ATOM 120 CA ASP A 9 -2.809 -12.394 -1.597 1.00 0.00 C ATOM 121 C ASP A 9 -2.225 -11.335 -0.678 1.00 0.00 C ATOM 122 O ASP A 9 -1.622 -11.657 0.341 1.00 0.00 O ATOM 123 CB ASP A 9 -1.791 -12.657 -2.711 1.00 0.00 C ATOM 124 CG ASP A 9 -1.851 -14.080 -3.258 1.00 0.00 C ATOM 125 OD1 ASP A 9 -0.831 -14.804 -3.207 1.00 0.00 O ATOM 126 OD2 ASP A 9 -2.909 -14.443 -3.818 1.00 0.00 O ATOM 0 H ASP A 9 -4.078 -11.805 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.008 -13.331 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.964 -11.954 -3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.788 -12.463 -2.331 1.00 0.00 H new ATOM 131 N ALA A 10 -2.386 -10.062 -1.053 1.00 0.00 N ATOM 132 CA ALA A 10 -1.910 -8.946 -0.266 1.00 0.00 C ATOM 133 C ALA A 10 -2.590 -8.993 1.101 1.00 0.00 C ATOM 134 O ALA A 10 -1.888 -8.976 2.110 1.00 0.00 O ATOM 135 CB ALA A 10 -2.219 -7.637 -0.990 1.00 0.00 C ATOM 0 H ALA A 10 -2.854 -9.787 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.830 -9.006 -0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.859 -6.798 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.723 -7.632 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.296 -7.545 -1.132 1.00 0.00 H new ATOM 141 N GLN A 11 -3.928 -9.080 1.127 1.00 0.00 N ATOM 142 CA GLN A 11 -4.725 -9.124 2.345 1.00 0.00 C ATOM 143 C GLN A 11 -4.229 -10.252 3.247 1.00 0.00 C ATOM 144 O GLN A 11 -3.920 -10.025 4.414 1.00 0.00 O ATOM 145 CB GLN A 11 -6.230 -9.278 2.035 1.00 0.00 C ATOM 146 CG GLN A 11 -7.075 -8.544 3.081 1.00 0.00 C ATOM 147 CD GLN A 11 -7.633 -9.434 4.182 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.880 -9.815 4.022 1.00 0.00 O flip ATOM 149 NE2 GLN A 11 -7.006 -9.719 5.198 1.00 0.00 N flip ATOM 0 H GLN A 11 -4.492 -9.122 0.278 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.605 -8.176 2.869 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.445 -8.881 1.043 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.497 -10.335 2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.467 -7.762 3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.905 -8.049 2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.038 -9.414 5.303 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.452 -10.261 5.938 1.00 0.00 H new ATOM 158 N GLU A 12 -4.122 -11.456 2.688 1.00 0.00 N ATOM 159 CA GLU A 12 -3.656 -12.650 3.372 1.00 0.00 C ATOM 160 C GLU A 12 -2.256 -12.430 3.913 1.00 0.00 C ATOM 161 O GLU A 12 -1.955 -12.857 5.020 1.00 0.00 O ATOM 162 CB GLU A 12 -3.707 -13.807 2.371 1.00 0.00 C ATOM 163 CG GLU A 12 -3.489 -15.160 3.036 1.00 0.00 C ATOM 164 CD GLU A 12 -3.969 -16.322 2.166 1.00 0.00 C ATOM 165 OE1 GLU A 12 -3.590 -16.412 0.976 1.00 0.00 O ATOM 166 OE2 GLU A 12 -4.808 -17.119 2.653 1.00 0.00 O ATOM 0 H GLU A 12 -4.367 -11.628 1.713 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.289 -12.885 4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.673 -13.805 1.866 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.947 -13.655 1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.429 -15.287 3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.016 -15.182 3.990 1.00 0.00 H new ATOM 173 N LEU A 13 -1.385 -11.758 3.169 1.00 0.00 N ATOM 174 CA LEU A 13 -0.034 -11.526 3.644 1.00 0.00 C ATOM 175 C LEU A 13 -0.082 -10.598 4.838 1.00 0.00 C ATOM 176 O LEU A 13 0.576 -10.887 5.832 1.00 0.00 O ATOM 177 CB LEU A 13 0.871 -11.032 2.515 1.00 0.00 C ATOM 178 CG LEU A 13 1.311 -12.218 1.636 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.923 -11.709 0.331 1.00 0.00 C ATOM 180 CD2 LEU A 13 2.342 -13.097 2.360 1.00 0.00 C ATOM 0 H LEU A 13 -1.589 -11.371 2.248 1.00 0.00 H new ATOM 0 HA LEU A 13 0.413 -12.462 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.342 -10.296 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.746 -10.533 2.931 1.00 0.00 H new ATOM 0 HG LEU A 13 0.425 -12.816 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.230 -12.557 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.185 -11.118 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.791 -11.089 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.632 -13.925 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.222 -12.501 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.905 -13.490 3.278 1.00 0.00 H new ATOM 192 N ILE A 14 -0.861 -9.517 4.779 1.00 0.00 N ATOM 193 CA ILE A 14 -0.986 -8.588 5.904 1.00 0.00 C ATOM 194 C ILE A 14 -1.524 -9.366 7.106 1.00 0.00 C ATOM 195 O ILE A 14 -0.992 -9.236 8.208 1.00 0.00 O ATOM 196 CB ILE A 14 -1.846 -7.370 5.521 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.119 -6.503 4.469 1.00 0.00 C ATOM 198 CG2 ILE A 14 -2.164 -6.486 6.734 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.097 -6.043 3.387 1.00 0.00 C ATOM 0 H ILE A 14 -1.416 -9.262 3.962 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.015 -8.174 6.176 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.778 -7.763 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.668 -5.636 4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.308 -7.074 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.772 -5.639 6.417 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.711 -7.069 7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.235 -6.122 7.172 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.568 -5.433 2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.528 -6.913 2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.893 -5.454 3.843 1.00 0.00 H new ATOM 211 N ALA A 15 -2.529 -10.223 6.898 1.00 0.00 N ATOM 212 CA ALA A 15 -3.115 -11.041 7.949 1.00 0.00 C ATOM 213 C ALA A 15 -2.026 -11.908 8.597 1.00 0.00 C ATOM 214 O ALA A 15 -2.008 -12.095 9.813 1.00 0.00 O ATOM 215 CB ALA A 15 -4.236 -11.908 7.367 1.00 0.00 C ATOM 0 H ALA A 15 -2.958 -10.365 5.984 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.545 -10.399 8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.672 -12.519 8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.006 -11.267 6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.829 -12.556 6.591 1.00 0.00 H new ATOM 221 N ARG A 16 -1.109 -12.453 7.791 1.00 0.00 N ATOM 222 CA ARG A 16 -0.010 -13.303 8.243 1.00 0.00 C ATOM 223 C ARG A 16 1.142 -12.514 8.868 1.00 0.00 C ATOM 224 O ARG A 16 1.923 -13.124 9.603 1.00 0.00 O ATOM 225 CB ARG A 16 0.509 -14.136 7.067 1.00 0.00 C ATOM 226 CG ARG A 16 -0.528 -15.140 6.542 1.00 0.00 C ATOM 227 CD ARG A 16 -0.027 -15.728 5.222 1.00 0.00 C ATOM 228 NE ARG A 16 -0.865 -16.846 4.773 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.797 -17.471 3.593 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.121 -17.127 2.695 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.655 -18.447 3.332 1.00 0.00 N ATOM 0 H ARG A 16 -1.113 -12.310 6.781 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.407 -13.950 9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.803 -13.468 6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.404 -14.675 7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.687 -15.934 7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.489 -14.647 6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.017 -14.951 4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.001 -16.069 5.343 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.572 -17.180 5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.783 -16.379 2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.163 -17.611 1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.354 -18.711 4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.617 -18.934 2.437 1.00 0.00 H new ATOM 245 N GLY A 17 1.297 -11.222 8.588 1.00 0.00 N ATOM 246 CA GLY A 17 2.362 -10.399 9.164 1.00 0.00 C ATOM 247 C GLY A 17 2.911 -9.293 8.270 1.00 0.00 C ATOM 248 O GLY A 17 3.814 -8.570 8.695 1.00 0.00 O ATOM 0 H GLY A 17 0.684 -10.712 7.952 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.987 -9.945 10.081 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.187 -11.053 9.447 1.00 0.00 H new ATOM 252 N ALA A 18 2.457 -9.163 7.023 1.00 0.00 N ATOM 253 CA ALA A 18 2.938 -8.120 6.127 1.00 0.00 C ATOM 254 C ALA A 18 2.356 -6.750 6.504 1.00 0.00 C ATOM 255 O ALA A 18 1.441 -6.638 7.318 1.00 0.00 O ATOM 256 CB ALA A 18 2.640 -8.490 4.675 1.00 0.00 C ATOM 0 H ALA A 18 1.751 -9.774 6.612 1.00 0.00 H new ATOM 0 HA ALA A 18 4.020 -8.041 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.005 -7.702 4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.138 -9.428 4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.564 -8.605 4.542 1.00 0.00 H new ATOM 262 N LYS A 19 2.886 -5.685 5.903 1.00 0.00 N ATOM 263 CA LYS A 19 2.431 -4.314 6.131 1.00 0.00 C ATOM 264 C LYS A 19 1.899 -3.752 4.830 1.00 0.00 C ATOM 265 O LYS A 19 2.331 -4.162 3.756 1.00 0.00 O ATOM 266 CB LYS A 19 3.549 -3.408 6.680 1.00 0.00 C ATOM 267 CG LYS A 19 3.682 -3.340 8.211 1.00 0.00 C ATOM 268 CD LYS A 19 2.388 -3.052 8.992 1.00 0.00 C ATOM 269 CE LYS A 19 1.667 -1.742 8.645 1.00 0.00 C ATOM 270 NZ LYS A 19 0.347 -1.689 9.310 1.00 0.00 N ATOM 0 H LYS A 19 3.654 -5.751 5.235 1.00 0.00 H new ATOM 0 HA LYS A 19 1.645 -4.339 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.499 -3.750 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.385 -2.397 6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.091 -4.288 8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.411 -2.568 8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.697 -3.878 8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.624 -3.042 10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.273 -0.892 8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.541 -1.664 7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.129 -0.797 9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.235 -2.490 8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.475 -1.742 10.341 1.00 0.00 H new ATOM 284 N LEU A 20 1.042 -2.742 4.929 1.00 0.00 N ATOM 285 CA LEU A 20 0.439 -2.088 3.780 1.00 0.00 C ATOM 286 C LEU A 20 0.688 -0.595 3.851 1.00 0.00 C ATOM 287 O LEU A 20 0.316 0.041 4.841 1.00 0.00 O ATOM 288 CB LEU A 20 -1.061 -2.374 3.784 1.00 0.00 C ATOM 289 CG LEU A 20 -1.813 -1.935 2.519 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.217 -2.485 1.217 1.00 0.00 C ATOM 291 CD2 LEU A 20 -3.259 -2.418 2.644 1.00 0.00 C ATOM 0 H LEU A 20 0.744 -2.351 5.823 1.00 0.00 H new ATOM 0 HA LEU A 20 0.881 -2.469 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.210 -3.445 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.508 -1.876 4.644 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.737 -0.850 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.804 -2.130 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.188 -2.142 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.235 -3.575 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.820 -2.120 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.273 -3.504 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.716 -1.974 3.529 1.00 0.00 H new ATOM 303 N ILE A 21 1.299 -0.048 2.804 1.00 0.00 N ATOM 304 CA ILE A 21 1.618 1.358 2.681 1.00 0.00 C ATOM 305 C ILE A 21 0.931 1.914 1.429 1.00 0.00 C ATOM 306 O ILE A 21 1.162 1.460 0.301 1.00 0.00 O ATOM 307 CB ILE A 21 3.158 1.526 2.656 1.00 0.00 C ATOM 308 CG1 ILE A 21 3.809 1.504 4.055 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.569 2.856 2.001 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.682 0.190 4.834 1.00 0.00 C ATOM 0 H ILE A 21 1.592 -0.595 1.995 1.00 0.00 H new ATOM 0 HA ILE A 21 1.248 1.928 3.533 1.00 0.00 H new ATOM 0 HB ILE A 21 3.510 0.669 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.868 1.737 3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.367 2.302 4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.656 2.941 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.202 2.885 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.141 3.686 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.176 0.291 5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.628 -0.042 4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.152 -0.615 4.269 1.00 0.00 H new ATOM 322 N ASP A 22 0.090 2.922 1.641 1.00 0.00 N ATOM 323 CA ASP A 22 -0.641 3.648 0.613 1.00 0.00 C ATOM 324 C ASP A 22 0.378 4.675 0.099 1.00 0.00 C ATOM 325 O ASP A 22 0.658 5.659 0.785 1.00 0.00 O ATOM 326 CB ASP A 22 -1.876 4.355 1.209 1.00 0.00 C ATOM 327 CG ASP A 22 -3.123 3.469 1.307 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.340 2.894 2.395 1.00 0.00 O ATOM 329 OD2 ASP A 22 -3.899 3.427 0.323 1.00 0.00 O ATOM 0 H ASP A 22 -0.108 3.269 2.579 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.020 2.996 -0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.625 4.721 2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.111 5.227 0.599 1.00 0.00 H new ATOM 334 N ILE A 23 0.976 4.449 -1.080 1.00 0.00 N ATOM 335 CA ILE A 23 1.981 5.365 -1.660 1.00 0.00 C ATOM 336 C ILE A 23 1.376 6.623 -2.309 1.00 0.00 C ATOM 337 O ILE A 23 2.096 7.504 -2.802 1.00 0.00 O ATOM 338 CB ILE A 23 2.918 4.617 -2.629 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.195 4.080 -3.879 1.00 0.00 C ATOM 340 CG2 ILE A 23 3.649 3.496 -1.877 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.169 3.461 -4.882 1.00 0.00 C ATOM 0 H ILE A 23 0.781 3.632 -1.659 1.00 0.00 H new ATOM 0 HA ILE A 23 2.574 5.732 -0.822 1.00 0.00 H new ATOM 0 HB ILE A 23 3.647 5.337 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.459 3.333 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.648 4.892 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.311 2.969 -2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.236 3.925 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.920 2.797 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.616 3.095 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.889 4.214 -5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.697 2.631 -4.412 1.00 0.00 H new ATOM 353 N ARG A 24 0.046 6.657 -2.382 1.00 0.00 N ATOM 354 CA ARG A 24 -0.826 7.689 -2.898 1.00 0.00 C ATOM 355 C ARG A 24 -0.640 8.979 -2.088 1.00 0.00 C ATOM 356 O ARG A 24 0.216 9.065 -1.214 1.00 0.00 O ATOM 357 CB ARG A 24 -2.261 7.117 -2.980 1.00 0.00 C ATOM 358 CG ARG A 24 -2.665 6.043 -1.932 1.00 0.00 C ATOM 359 CD ARG A 24 -3.528 4.937 -2.528 1.00 0.00 C ATOM 360 NE ARG A 24 -4.862 5.439 -2.809 1.00 0.00 N ATOM 361 CZ ARG A 24 -6.015 4.967 -2.308 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.025 3.995 -1.398 1.00 0.00 N ATOM 363 NH2 ARG A 24 -7.170 5.468 -2.740 1.00 0.00 N ATOM 0 H ARG A 24 -0.500 5.866 -2.039 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.577 7.986 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.960 7.949 -2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.396 6.686 -3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.765 5.604 -1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.207 6.522 -1.117 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.071 4.563 -3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.586 4.097 -1.835 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.930 6.229 -3.451 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.146 3.595 -1.069 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.912 3.650 -1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.174 6.204 -3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.051 5.116 -2.365 1.00 0.00 H new ATOM 377 N ASP A 25 -1.320 10.054 -2.470 1.00 0.00 N ATOM 378 CA ASP A 25 -1.188 11.344 -1.792 1.00 0.00 C ATOM 379 C ASP A 25 -1.828 11.300 -0.405 1.00 0.00 C ATOM 380 O ASP A 25 -2.933 10.781 -0.253 1.00 0.00 O ATOM 381 CB ASP A 25 -1.812 12.450 -2.651 1.00 0.00 C ATOM 382 CG ASP A 25 -1.027 12.700 -3.935 1.00 0.00 C ATOM 383 OD1 ASP A 25 -0.264 13.685 -4.027 1.00 0.00 O ATOM 384 OD2 ASP A 25 -1.158 11.901 -4.894 1.00 0.00 O ATOM 0 H ASP A 25 -1.975 10.060 -3.252 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.129 11.563 -1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.837 12.177 -2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.860 13.372 -2.072 1.00 0.00 H new ATOM 389 N ALA A 26 -1.154 11.872 0.601 1.00 0.00 N ATOM 390 CA ALA A 26 -1.646 11.919 1.978 1.00 0.00 C ATOM 391 C ALA A 26 -3.009 12.609 2.041 1.00 0.00 C ATOM 392 O ALA A 26 -3.906 12.185 2.764 1.00 0.00 O ATOM 393 CB ALA A 26 -0.676 12.699 2.868 1.00 0.00 C ATOM 0 H ALA A 26 -0.245 12.318 0.478 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.733 10.891 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.058 12.724 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.299 12.212 2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.577 13.718 2.493 1.00 0.00 H new ATOM 399 N ASP A 27 -3.170 13.667 1.244 1.00 0.00 N ATOM 400 CA ASP A 27 -4.394 14.458 1.173 1.00 0.00 C ATOM 401 C ASP A 27 -5.588 13.648 0.658 1.00 0.00 C ATOM 402 O ASP A 27 -6.725 14.120 0.750 1.00 0.00 O ATOM 403 CB ASP A 27 -4.153 15.732 0.356 1.00 0.00 C ATOM 404 CG ASP A 27 -3.287 16.732 1.109 1.00 0.00 C ATOM 405 OD1 ASP A 27 -3.795 17.335 2.081 1.00 0.00 O ATOM 406 OD2 ASP A 27 -2.090 16.898 0.777 1.00 0.00 O ATOM 0 H ASP A 27 -2.437 14.002 0.619 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.662 14.754 2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.672 15.473 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.110 16.193 0.110 1.00 0.00 H new ATOM 411 N GLU A 28 -5.352 12.470 0.076 1.00 0.00 N ATOM 412 CA GLU A 28 -6.383 11.563 -0.401 1.00 0.00 C ATOM 413 C GLU A 28 -6.615 10.553 0.735 1.00 0.00 C ATOM 414 O GLU A 28 -7.769 10.265 1.055 1.00 0.00 O ATOM 415 CB GLU A 28 -5.979 10.894 -1.730 1.00 0.00 C ATOM 416 CG GLU A 28 -5.771 11.942 -2.833 1.00 0.00 C ATOM 417 CD GLU A 28 -5.563 11.339 -4.232 1.00 0.00 C ATOM 418 OE1 GLU A 28 -6.413 11.575 -5.131 1.00 0.00 O ATOM 419 OE2 GLU A 28 -4.502 10.744 -4.515 1.00 0.00 O ATOM 0 H GLU A 28 -4.408 12.116 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.309 12.090 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.062 10.322 -1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.751 10.188 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.636 12.605 -2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.906 12.555 -2.580 1.00 0.00 H new ATOM 426 N TYR A 29 -5.542 10.080 1.396 1.00 0.00 N ATOM 427 CA TYR A 29 -5.611 9.124 2.499 1.00 0.00 C ATOM 428 C TYR A 29 -6.519 9.598 3.629 1.00 0.00 C ATOM 429 O TYR A 29 -7.278 8.798 4.177 1.00 0.00 O ATOM 430 CB TYR A 29 -4.208 8.757 3.022 1.00 0.00 C ATOM 431 CG TYR A 29 -4.269 7.686 4.099 1.00 0.00 C ATOM 432 CD1 TYR A 29 -4.566 8.039 5.429 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.140 6.327 3.757 1.00 0.00 C ATOM 434 CE1 TYR A 29 -4.838 7.041 6.377 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.436 5.324 4.693 1.00 0.00 C ATOM 436 CZ TYR A 29 -4.812 5.679 6.004 1.00 0.00 C ATOM 437 OH TYR A 29 -5.228 4.721 6.870 1.00 0.00 O ATOM 0 H TYR A 29 -4.588 10.362 1.168 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.062 8.218 2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.592 8.405 2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.725 9.648 3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.585 9.079 5.720 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.810 6.053 2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.068 7.315 7.396 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.376 4.284 4.410 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.143 3.840 6.449 1.00 0.00 H new ATOM 447 N LEU A 30 -6.476 10.892 3.953 1.00 0.00 N ATOM 448 CA LEU A 30 -7.267 11.517 5.017 1.00 0.00 C ATOM 449 C LEU A 30 -8.771 11.250 4.896 1.00 0.00 C ATOM 450 O LEU A 30 -9.484 11.341 5.899 1.00 0.00 O ATOM 451 CB LEU A 30 -7.014 13.042 5.015 1.00 0.00 C ATOM 452 CG LEU A 30 -6.074 13.515 6.137 1.00 0.00 C ATOM 453 CD1 LEU A 30 -4.670 12.916 6.021 1.00 0.00 C ATOM 454 CD2 LEU A 30 -5.963 15.043 6.096 1.00 0.00 C ATOM 0 H LEU A 30 -5.871 11.555 3.468 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.943 11.068 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.590 13.330 4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.968 13.560 5.110 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.503 13.177 7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.049 13.284 6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.733 11.829 6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.227 13.208 5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.297 15.381 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.563 15.353 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.950 15.483 6.238 1.00 0.00 H new ATOM 466 N ARG A 31 -9.261 10.967 3.685 1.00 0.00 N ATOM 467 CA ARG A 31 -10.673 10.712 3.436 1.00 0.00 C ATOM 468 C ARG A 31 -11.098 9.287 3.769 1.00 0.00 C ATOM 469 O ARG A 31 -11.898 9.082 4.680 1.00 0.00 O ATOM 470 CB ARG A 31 -11.017 11.027 1.978 1.00 0.00 C ATOM 471 CG ARG A 31 -10.711 12.471 1.589 1.00 0.00 C ATOM 472 CD ARG A 31 -11.444 12.800 0.290 1.00 0.00 C ATOM 473 NE ARG A 31 -11.185 14.184 -0.095 1.00 0.00 N ATOM 474 CZ ARG A 31 -10.257 14.620 -0.949 1.00 0.00 C ATOM 475 NH1 ARG A 31 -9.524 13.796 -1.696 1.00 0.00 N ATOM 476 NH2 ARG A 31 -10.063 15.923 -1.036 1.00 0.00 N ATOM 0 H ARG A 31 -8.681 10.909 2.848 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.227 11.371 4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.459 10.355 1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.075 10.828 1.810 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.026 13.150 2.382 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.637 12.607 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.117 12.127 -0.502 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.515 12.644 0.418 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.777 14.894 0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.662 12.788 -1.628 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.825 14.173 -2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.614 16.560 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.362 16.292 -1.678 1.00 0.00 H new ATOM 490 N GLU A 32 -10.667 8.321 2.958 1.00 0.00 N ATOM 491 CA GLU A 32 -10.998 6.909 3.106 1.00 0.00 C ATOM 492 C GLU A 32 -10.067 6.084 2.227 1.00 0.00 C ATOM 493 O GLU A 32 -10.076 6.251 1.007 1.00 0.00 O ATOM 494 CB GLU A 32 -12.468 6.628 2.722 1.00 0.00 C ATOM 495 CG GLU A 32 -12.932 7.089 1.325 1.00 0.00 C ATOM 496 CD GLU A 32 -14.444 6.971 1.097 1.00 0.00 C ATOM 497 OE1 GLU A 32 -15.082 7.988 0.730 1.00 0.00 O ATOM 498 OE2 GLU A 32 -15.012 5.851 1.160 1.00 0.00 O ATOM 0 H GLU A 32 -10.061 8.507 2.159 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.870 6.632 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.637 5.554 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.108 7.104 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.633 8.127 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.414 6.499 0.569 1.00 0.00 H new ATOM 505 N HIS A 33 -9.241 5.231 2.826 1.00 0.00 N ATOM 506 CA HIS A 33 -8.280 4.364 2.132 1.00 0.00 C ATOM 507 C HIS A 33 -8.441 2.945 2.694 1.00 0.00 C ATOM 508 O HIS A 33 -9.585 2.494 2.720 1.00 0.00 O ATOM 509 CB HIS A 33 -6.851 4.953 2.140 1.00 0.00 C ATOM 510 CG HIS A 33 -6.579 6.001 1.073 1.00 0.00 C ATOM 511 ND1 HIS A 33 -7.494 6.831 0.472 1.00 0.00 N ATOM 512 CD2 HIS A 33 -5.362 6.311 0.524 1.00 0.00 C ATOM 513 CE1 HIS A 33 -6.861 7.612 -0.410 1.00 0.00 C ATOM 514 NE2 HIS A 33 -5.551 7.333 -0.418 1.00 0.00 N ATOM 0 H HIS A 33 -9.217 5.117 3.839 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.489 4.305 1.064 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.663 5.396 3.118 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.138 4.138 2.016 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.495 6.849 0.667 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.419 5.848 0.774 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.337 8.360 -1.027 1.00 0.00 H new ATOM 522 N ILE A 34 -7.406 2.220 3.136 1.00 0.00 N ATOM 523 CA ILE A 34 -7.542 0.849 3.654 1.00 0.00 C ATOM 524 C ILE A 34 -7.273 0.860 5.167 1.00 0.00 C ATOM 525 O ILE A 34 -6.352 1.539 5.603 1.00 0.00 O ATOM 526 CB ILE A 34 -6.599 -0.099 2.879 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.000 -0.093 1.382 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.664 -1.539 3.440 1.00 0.00 C ATOM 529 CD1 ILE A 34 -5.979 -0.776 0.479 1.00 0.00 C ATOM 0 H ILE A 34 -6.447 2.567 3.145 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.554 0.474 3.503 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.574 0.254 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.963 -0.590 1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.133 0.938 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.989 -2.181 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.366 -1.535 4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.683 -1.917 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.323 -0.736 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.020 -0.265 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.863 -1.817 0.782 1.00 0.00 H new ATOM 541 N PRO A 35 -8.040 0.111 5.984 1.00 0.00 N ATOM 542 CA PRO A 35 -7.874 0.086 7.436 1.00 0.00 C ATOM 543 C PRO A 35 -6.665 -0.711 7.911 1.00 0.00 C ATOM 544 O PRO A 35 -6.076 -0.376 8.936 1.00 0.00 O ATOM 545 CB PRO A 35 -9.143 -0.579 7.960 1.00 0.00 C ATOM 546 CG PRO A 35 -9.573 -1.503 6.825 1.00 0.00 C ATOM 547 CD PRO A 35 -9.151 -0.739 5.590 1.00 0.00 C ATOM 0 HA PRO A 35 -7.710 1.100 7.800 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.952 -1.136 8.877 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.914 0.157 8.189 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.082 -2.474 6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.647 -1.687 6.839 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.852 -1.423 4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.977 -0.142 5.203 1.00 0.00 H new ATOM 555 N GLU A 36 -6.325 -1.771 7.179 1.00 0.00 N ATOM 556 CA GLU A 36 -5.216 -2.675 7.447 1.00 0.00 C ATOM 557 C GLU A 36 -3.879 -2.052 6.988 1.00 0.00 C ATOM 558 O GLU A 36 -2.910 -2.775 6.760 1.00 0.00 O ATOM 559 CB GLU A 36 -5.454 -4.030 6.765 1.00 0.00 C ATOM 560 CG GLU A 36 -6.779 -4.664 7.194 1.00 0.00 C ATOM 561 CD GLU A 36 -6.979 -4.979 8.682 1.00 0.00 C ATOM 562 OE1 GLU A 36 -6.096 -5.567 9.348 1.00 0.00 O ATOM 563 OE2 GLU A 36 -8.075 -4.646 9.204 1.00 0.00 O ATOM 0 H GLU A 36 -6.844 -2.033 6.341 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.156 -2.840 8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.450 -3.897 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.634 -4.706 7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.584 -3.998 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.900 -5.593 6.637 1.00 0.00 H new ATOM 570 N ALA A 37 -3.832 -0.737 6.750 1.00 0.00 N ATOM 571 CA ALA A 37 -2.681 0.028 6.300 1.00 0.00 C ATOM 572 C ALA A 37 -2.366 1.176 7.257 1.00 0.00 C ATOM 573 O ALA A 37 -3.059 1.359 8.259 1.00 0.00 O ATOM 574 CB ALA A 37 -3.004 0.584 4.905 1.00 0.00 C ATOM 0 H ALA A 37 -4.654 -0.147 6.877 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.804 -0.619 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.157 1.164 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.200 -0.241 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.884 1.224 4.963 1.00 0.00 H new ATOM 580 N ASP A 38 -1.272 1.895 6.985 1.00 0.00 N ATOM 581 CA ASP A 38 -0.873 3.053 7.789 1.00 0.00 C ATOM 582 C ASP A 38 -0.955 4.249 6.848 1.00 0.00 C ATOM 583 O ASP A 38 -2.058 4.660 6.519 1.00 0.00 O ATOM 584 CB ASP A 38 0.491 2.865 8.464 1.00 0.00 C ATOM 585 CG ASP A 38 0.858 4.032 9.404 1.00 0.00 C ATOM 586 OD1 ASP A 38 1.900 3.934 10.093 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.157 5.067 9.474 1.00 0.00 O ATOM 0 H ASP A 38 -0.643 1.692 6.208 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.535 3.204 8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.485 1.935 9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.260 2.766 7.698 1.00 0.00 H new ATOM 592 N LEU A 39 0.169 4.766 6.347 1.00 0.00 N ATOM 593 CA LEU A 39 0.281 5.898 5.421 1.00 0.00 C ATOM 594 C LEU A 39 1.755 6.250 5.267 1.00 0.00 C ATOM 595 O LEU A 39 2.454 6.476 6.262 1.00 0.00 O ATOM 596 CB LEU A 39 -0.487 7.157 5.893 1.00 0.00 C ATOM 597 CG LEU A 39 -0.260 8.407 5.014 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.639 8.174 3.544 1.00 0.00 C ATOM 599 CD2 LEU A 39 -1.059 9.595 5.560 1.00 0.00 C ATOM 0 H LEU A 39 1.082 4.383 6.591 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.166 5.590 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.553 6.931 5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.189 7.388 6.916 1.00 0.00 H new ATOM 0 HG LEU A 39 0.808 8.623 5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.459 9.085 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.034 7.365 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.694 7.907 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.889 10.468 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.121 9.350 5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.736 9.813 6.578 1.00 0.00 H new ATOM 611 N ALA A 40 2.252 6.257 4.033 1.00 0.00 N ATOM 612 CA ALA A 40 3.632 6.608 3.720 1.00 0.00 C ATOM 613 C ALA A 40 3.648 7.051 2.250 1.00 0.00 C ATOM 614 O ALA A 40 3.965 6.236 1.379 1.00 0.00 O ATOM 615 CB ALA A 40 4.613 5.471 4.059 1.00 0.00 C ATOM 0 H ALA A 40 1.698 6.015 3.211 1.00 0.00 H new ATOM 0 HA ALA A 40 3.988 7.430 4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.628 5.779 3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.555 5.246 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.352 4.582 3.485 1.00 0.00 H new ATOM 621 N PRO A 41 3.269 8.307 1.954 1.00 0.00 N ATOM 622 CA PRO A 41 3.229 8.814 0.592 1.00 0.00 C ATOM 623 C PRO A 41 4.630 8.874 0.004 1.00 0.00 C ATOM 624 O PRO A 41 5.602 9.173 0.709 1.00 0.00 O ATOM 625 CB PRO A 41 2.600 10.209 0.675 1.00 0.00 C ATOM 626 CG PRO A 41 2.864 10.647 2.107 1.00 0.00 C ATOM 627 CD PRO A 41 2.883 9.344 2.896 1.00 0.00 C ATOM 0 HA PRO A 41 2.647 8.164 -0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.053 10.894 -0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.532 10.179 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.811 11.179 2.193 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.086 11.320 2.468 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.589 9.400 3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.904 9.135 3.326 1.00 0.00 H new ATOM 635 N LEU A 42 4.712 8.728 -1.321 1.00 0.00 N ATOM 636 CA LEU A 42 5.994 8.738 -2.024 1.00 0.00 C ATOM 637 C LEU A 42 6.769 10.025 -1.765 1.00 0.00 C ATOM 638 O LEU A 42 7.995 10.016 -1.684 1.00 0.00 O ATOM 639 CB LEU A 42 5.799 8.567 -3.533 1.00 0.00 C ATOM 640 CG LEU A 42 6.765 7.595 -4.247 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.143 7.389 -3.614 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.140 6.208 -4.393 1.00 0.00 C ATOM 0 H LEU A 42 3.902 8.601 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 42 6.569 7.897 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.779 8.225 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.892 9.546 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 42 6.928 8.099 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.718 6.685 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.669 8.342 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.025 6.993 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.841 5.544 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.909 5.807 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.224 6.282 -4.979 1.00 0.00 H new ATOM 654 N SER A 43 6.039 11.132 -1.608 1.00 0.00 N ATOM 655 CA SER A 43 6.607 12.440 -1.359 1.00 0.00 C ATOM 656 C SER A 43 7.578 12.400 -0.170 1.00 0.00 C ATOM 657 O SER A 43 8.613 13.070 -0.189 1.00 0.00 O ATOM 658 CB SER A 43 5.472 13.444 -1.097 1.00 0.00 C ATOM 659 OG SER A 43 5.811 14.719 -1.595 1.00 0.00 O ATOM 0 H SER A 43 5.020 11.134 -1.653 1.00 0.00 H new ATOM 0 HA SER A 43 7.173 12.754 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.554 13.095 -1.571 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.275 13.507 -0.027 1.00 0.00 H new ATOM 0 HG SER A 43 5.077 15.344 -1.421 1.00 0.00 H new ATOM 665 N VAL A 44 7.247 11.624 0.865 1.00 0.00 N ATOM 666 CA VAL A 44 8.072 11.503 2.064 1.00 0.00 C ATOM 667 C VAL A 44 9.161 10.455 1.856 1.00 0.00 C ATOM 668 O VAL A 44 10.302 10.679 2.257 1.00 0.00 O ATOM 669 CB VAL A 44 7.179 11.182 3.280 1.00 0.00 C ATOM 670 CG1 VAL A 44 8.000 11.048 4.572 1.00 0.00 C ATOM 671 CG2 VAL A 44 6.149 12.302 3.484 1.00 0.00 C ATOM 0 H VAL A 44 6.397 11.061 0.893 1.00 0.00 H new ATOM 0 HA VAL A 44 8.574 12.450 2.261 1.00 0.00 H new ATOM 0 HB VAL A 44 6.685 10.233 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.334 10.822 5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.727 10.243 4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.523 11.984 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.522 12.068 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.667 13.245 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.525 12.389 2.594 1.00 0.00 H new ATOM 681 N LEU A 45 8.840 9.331 1.215 1.00 0.00 N ATOM 682 CA LEU A 45 9.766 8.232 0.948 1.00 0.00 C ATOM 683 C LEU A 45 10.979 8.696 0.139 1.00 0.00 C ATOM 684 O LEU A 45 12.116 8.387 0.497 1.00 0.00 O ATOM 685 CB LEU A 45 9.006 7.115 0.213 1.00 0.00 C ATOM 686 CG LEU A 45 8.301 6.080 1.114 1.00 0.00 C ATOM 687 CD1 LEU A 45 9.257 4.966 1.534 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.622 6.641 2.366 1.00 0.00 C ATOM 0 H LEU A 45 7.901 9.156 0.857 1.00 0.00 H new ATOM 0 HA LEU A 45 10.151 7.854 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.259 7.574 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.708 6.588 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 45 7.503 5.696 0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.729 4.253 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.632 4.455 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.093 5.394 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.159 5.827 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.365 7.135 2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.858 7.361 2.074 1.00 0.00 H new ATOM 700 N GLU A 46 10.744 9.444 -0.937 1.00 0.00 N ATOM 701 CA GLU A 46 11.799 9.957 -1.809 1.00 0.00 C ATOM 702 C GLU A 46 12.744 10.927 -1.088 1.00 0.00 C ATOM 703 O GLU A 46 13.896 11.065 -1.500 1.00 0.00 O ATOM 704 CB GLU A 46 11.156 10.674 -3.001 1.00 0.00 C ATOM 705 CG GLU A 46 10.733 9.679 -4.089 1.00 0.00 C ATOM 706 CD GLU A 46 11.645 9.680 -5.313 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.849 9.409 -5.150 1.00 0.00 O ATOM 708 OE2 GLU A 46 11.123 9.896 -6.434 1.00 0.00 O ATOM 0 H GLU A 46 9.805 9.714 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 46 12.396 9.106 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.286 11.238 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.860 11.394 -3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.713 8.676 -3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.716 9.911 -4.405 1.00 0.00 H new ATOM 715 N GLN A 47 12.263 11.604 -0.043 1.00 0.00 N ATOM 716 CA GLN A 47 13.018 12.578 0.736 1.00 0.00 C ATOM 717 C GLN A 47 13.617 11.988 2.016 1.00 0.00 C ATOM 718 O GLN A 47 14.831 11.829 2.135 1.00 0.00 O ATOM 719 CB GLN A 47 12.096 13.749 1.120 1.00 0.00 C ATOM 720 CG GLN A 47 11.636 14.626 -0.043 1.00 0.00 C ATOM 721 CD GLN A 47 10.826 15.781 0.530 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.354 16.855 0.791 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.537 15.583 0.752 1.00 0.00 N ATOM 0 H GLN A 47 11.307 11.483 0.292 1.00 0.00 H new ATOM 0 HA GLN A 47 13.845 12.911 0.108 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.215 13.347 1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.616 14.377 1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.495 15.002 -0.600 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.032 14.047 -0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.113 14.682 0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.967 16.331 1.146 1.00 0.00 H new ATOM 732 N SER A 48 12.758 11.750 3.004 1.00 0.00 N ATOM 733 CA SER A 48 13.070 11.234 4.317 1.00 0.00 C ATOM 734 C SER A 48 13.248 9.725 4.295 1.00 0.00 C ATOM 735 O SER A 48 14.306 9.233 4.692 1.00 0.00 O ATOM 736 CB SER A 48 11.941 11.670 5.266 1.00 0.00 C ATOM 737 OG SER A 48 12.410 11.772 6.588 1.00 0.00 O ATOM 0 H SER A 48 11.760 11.928 2.892 1.00 0.00 H new ATOM 0 HA SER A 48 14.021 11.636 4.667 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.539 12.630 4.943 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.123 10.951 5.220 1.00 0.00 H new ATOM 0 HG SER A 48 11.677 12.052 7.175 1.00 0.00 H new ATOM 743 N GLY A 49 12.238 8.989 3.832 1.00 0.00 N ATOM 744 CA GLY A 49 12.242 7.538 3.761 1.00 0.00 C ATOM 745 C GLY A 49 11.161 6.927 4.646 1.00 0.00 C ATOM 746 O GLY A 49 10.404 7.632 5.315 1.00 0.00 O ATOM 0 H GLY A 49 11.372 9.403 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.088 7.224 2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.218 7.161 4.066 1.00 0.00 H new ATOM 750 N LEU A 50 11.067 5.597 4.607 1.00 0.00 N ATOM 751 CA LEU A 50 10.093 4.819 5.367 1.00 0.00 C ATOM 752 C LEU A 50 10.421 4.905 6.866 1.00 0.00 C ATOM 753 O LEU A 50 11.601 4.784 7.209 1.00 0.00 O ATOM 754 CB LEU A 50 10.156 3.363 4.878 1.00 0.00 C ATOM 755 CG LEU A 50 8.997 2.506 5.410 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.676 2.790 4.683 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.342 1.032 5.218 1.00 0.00 C ATOM 0 H LEU A 50 11.681 5.020 4.032 1.00 0.00 H new ATOM 0 HA LEU A 50 9.087 5.210 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.141 3.350 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.102 2.920 5.190 1.00 0.00 H new ATOM 0 HG LEU A 50 8.864 2.754 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.890 2.159 5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.406 3.838 4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.792 2.576 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.525 0.415 5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.493 0.829 4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.255 0.798 5.766 1.00 0.00 H new ATOM 769 N PRO A 51 9.437 5.081 7.767 1.00 0.00 N ATOM 770 CA PRO A 51 9.714 5.179 9.190 1.00 0.00 C ATOM 771 C PRO A 51 10.085 3.819 9.775 1.00 0.00 C ATOM 772 O PRO A 51 9.645 2.767 9.296 1.00 0.00 O ATOM 773 CB PRO A 51 8.439 5.734 9.829 1.00 0.00 C ATOM 774 CG PRO A 51 7.342 5.240 8.895 1.00 0.00 C ATOM 775 CD PRO A 51 8.012 5.230 7.518 1.00 0.00 C ATOM 0 HA PRO A 51 10.567 5.830 9.385 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.302 5.362 10.844 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.458 6.822 9.888 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.993 4.247 9.177 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.474 5.899 8.913 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.635 4.410 6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.805 6.153 6.977 1.00 0.00 H new ATOM 783 N ALA A 52 10.802 3.851 10.900 1.00 0.00 N ATOM 784 CA ALA A 52 11.245 2.661 11.622 1.00 0.00 C ATOM 785 C ALA A 52 10.071 1.787 12.105 1.00 0.00 C ATOM 786 O ALA A 52 10.261 0.632 12.486 1.00 0.00 O ATOM 787 CB ALA A 52 12.118 3.076 12.796 1.00 0.00 C ATOM 0 H ALA A 52 11.096 4.722 11.342 1.00 0.00 H new ATOM 0 HA ALA A 52 11.822 2.050 10.928 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.449 2.188 13.335 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.987 3.622 12.428 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.545 3.716 13.467 1.00 0.00 H new ATOM 793 N LYS A 53 8.847 2.316 12.091 1.00 0.00 N ATOM 794 CA LYS A 53 7.637 1.608 12.491 1.00 0.00 C ATOM 795 C LYS A 53 7.116 0.723 11.361 1.00 0.00 C ATOM 796 O LYS A 53 6.643 -0.385 11.601 1.00 0.00 O ATOM 797 CB LYS A 53 6.532 2.634 12.801 1.00 0.00 C ATOM 798 CG LYS A 53 6.864 3.654 13.895 1.00 0.00 C ATOM 799 CD LYS A 53 7.152 3.020 15.262 1.00 0.00 C ATOM 800 CE LYS A 53 7.330 4.089 16.345 1.00 0.00 C ATOM 801 NZ LYS A 53 8.424 5.036 16.046 1.00 0.00 N ATOM 0 H LYS A 53 8.668 3.275 11.793 1.00 0.00 H new ATOM 0 HA LYS A 53 7.882 0.996 13.359 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.296 3.175 11.885 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.631 2.094 13.094 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.731 4.237 13.585 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.031 4.350 13.995 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.334 2.354 15.536 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.053 2.409 15.199 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.398 4.643 16.458 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.529 3.602 17.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.576 5.661 16.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.297 4.507 15.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.170 5.608 15.216 1.00 0.00 H new ATOM 815 N LEU A 54 7.215 1.191 10.113 1.00 0.00 N ATOM 816 CA LEU A 54 6.702 0.475 8.946 1.00 0.00 C ATOM 817 C LEU A 54 7.687 -0.429 8.226 1.00 0.00 C ATOM 818 O LEU A 54 7.251 -1.193 7.379 1.00 0.00 O ATOM 819 CB LEU A 54 6.090 1.493 7.970 1.00 0.00 C ATOM 820 CG LEU A 54 4.844 2.201 8.535 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.382 3.298 7.573 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.695 1.220 8.794 1.00 0.00 C ATOM 0 H LEU A 54 7.656 2.082 9.885 1.00 0.00 H new ATOM 0 HA LEU A 54 5.954 -0.217 9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.841 2.241 7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.822 0.984 7.044 1.00 0.00 H new ATOM 0 HG LEU A 54 5.125 2.644 9.491 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.501 3.793 7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.181 4.028 7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.135 2.855 6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.837 1.762 9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.415 0.733 7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.015 0.467 9.515 1.00 0.00 H new ATOM 834 N ARG A 55 8.975 -0.402 8.556 1.00 0.00 N ATOM 835 CA ARG A 55 10.054 -1.213 7.953 1.00 0.00 C ATOM 836 C ARG A 55 9.985 -2.719 8.255 1.00 0.00 C ATOM 837 O ARG A 55 11.018 -3.391 8.263 1.00 0.00 O ATOM 838 CB ARG A 55 11.417 -0.666 8.401 1.00 0.00 C ATOM 839 CG ARG A 55 11.470 -0.679 9.931 1.00 0.00 C ATOM 840 CD ARG A 55 12.857 -0.833 10.531 1.00 0.00 C ATOM 841 NE ARG A 55 13.239 -2.238 10.722 1.00 0.00 N ATOM 842 CZ ARG A 55 13.075 -2.953 11.840 1.00 0.00 C ATOM 843 NH1 ARG A 55 12.302 -2.537 12.835 1.00 0.00 N ATOM 844 NH2 ARG A 55 13.730 -4.090 11.999 1.00 0.00 N ATOM 0 H ARG A 55 9.323 0.216 9.289 1.00 0.00 H new ATOM 0 HA ARG A 55 9.918 -1.123 6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.222 -1.274 7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.560 0.348 8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.033 0.248 10.301 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.843 -1.494 10.293 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.585 -0.348 9.881 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.893 -0.317 11.491 1.00 0.00 H new ATOM 0 HE ARG A 55 13.669 -2.713 9.928 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.810 -1.646 12.761 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.199 -3.108 13.674 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.360 -4.422 11.269 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.605 -4.636 12.852 1.00 0.00 H new ATOM 858 N HIS A 56 8.806 -3.220 8.597 1.00 0.00 N ATOM 859 CA HIS A 56 8.571 -4.620 8.916 1.00 0.00 C ATOM 860 C HIS A 56 9.134 -5.554 7.839 1.00 0.00 C ATOM 861 O HIS A 56 9.387 -5.139 6.706 1.00 0.00 O ATOM 862 CB HIS A 56 7.077 -4.892 9.156 1.00 0.00 C ATOM 863 CG HIS A 56 6.832 -5.867 10.285 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.199 -7.080 10.189 1.00 0.00 N ATOM 865 CD2 HIS A 56 7.228 -5.727 11.585 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.213 -7.667 11.391 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.840 -6.880 12.288 1.00 0.00 N ATOM 0 H HIS A 56 7.964 -2.648 8.662 1.00 0.00 H new ATOM 0 HA HIS A 56 9.106 -4.833 9.841 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.573 -3.952 9.378 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.632 -5.284 8.241 1.00 0.00 H new ATOM 0 HD1 HIS A 56 5.786 -7.470 9.342 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.749 -4.877 12.000 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.783 -8.633 11.611 1.00 0.00 H new ATOM 875 N GLU A 57 9.265 -6.824 8.220 1.00 0.00 N ATOM 876 CA GLU A 57 9.781 -7.964 7.466 1.00 0.00 C ATOM 877 C GLU A 57 9.451 -7.900 5.972 1.00 0.00 C ATOM 878 O GLU A 57 10.325 -8.087 5.127 1.00 0.00 O ATOM 879 CB GLU A 57 9.227 -9.270 8.079 1.00 0.00 C ATOM 880 CG GLU A 57 9.393 -9.378 9.608 1.00 0.00 C ATOM 881 CD GLU A 57 8.769 -10.641 10.214 1.00 0.00 C ATOM 882 OE1 GLU A 57 7.938 -11.320 9.561 1.00 0.00 O ATOM 883 OE2 GLU A 57 9.110 -10.962 11.379 1.00 0.00 O ATOM 0 H GLU A 57 8.984 -7.107 9.159 1.00 0.00 H new ATOM 0 HA GLU A 57 10.868 -7.937 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.168 -9.351 7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.728 -10.117 7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.456 -9.358 9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.943 -8.502 10.075 1.00 0.00 H new ATOM 890 N GLN A 58 8.181 -7.664 5.643 1.00 0.00 N ATOM 891 CA GLN A 58 7.676 -7.573 4.280 1.00 0.00 C ATOM 892 C GLN A 58 6.536 -6.582 4.239 1.00 0.00 C ATOM 893 O GLN A 58 5.639 -6.632 5.091 1.00 0.00 O ATOM 894 CB GLN A 58 7.148 -8.925 3.775 1.00 0.00 C ATOM 895 CG GLN A 58 8.160 -10.068 3.862 1.00 0.00 C ATOM 896 CD GLN A 58 7.740 -11.230 2.976 1.00 0.00 C ATOM 897 OE1 GLN A 58 8.049 -11.262 1.792 1.00 0.00 O ATOM 898 NE2 GLN A 58 7.018 -12.206 3.498 1.00 0.00 N ATOM 0 H GLN A 58 7.454 -7.527 6.345 1.00 0.00 H new ATOM 0 HA GLN A 58 8.502 -7.258 3.642 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.263 -9.194 4.351 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.831 -8.814 2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.145 -9.712 3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.247 -10.405 4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.761 -12.179 4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.718 -12.987 2.914 1.00 0.00 H new ATOM 907 N ILE A 59 6.542 -5.696 3.249 1.00 0.00 N ATOM 908 CA ILE A 59 5.506 -4.704 3.096 1.00 0.00 C ATOM 909 C ILE A 59 5.021 -4.706 1.652 1.00 0.00 C ATOM 910 O ILE A 59 5.664 -5.234 0.740 1.00 0.00 O ATOM 911 CB ILE A 59 5.956 -3.333 3.641 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.628 -2.468 2.562 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.866 -3.464 4.883 1.00 0.00 C ATOM 914 CD1 ILE A 59 6.924 -1.045 3.031 1.00 0.00 C ATOM 0 H ILE A 59 7.269 -5.653 2.535 1.00 0.00 H new ATOM 0 HA ILE A 59 4.640 -4.954 3.708 1.00 0.00 H new ATOM 0 HB ILE A 59 5.045 -2.823 3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.559 -2.943 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.983 -2.428 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.156 -2.471 5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.326 -3.981 5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.759 -4.032 4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.398 -0.487 2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.993 -0.554 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.593 -1.077 3.891 1.00 0.00 H new ATOM 926 N ILE A 60 3.882 -4.069 1.443 1.00 0.00 N ATOM 927 CA ILE A 60 3.229 -3.966 0.153 1.00 0.00 C ATOM 928 C ILE A 60 2.933 -2.493 -0.095 1.00 0.00 C ATOM 929 O ILE A 60 2.590 -1.747 0.827 1.00 0.00 O ATOM 930 CB ILE A 60 1.960 -4.853 0.144 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.262 -6.345 0.434 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.253 -4.773 -1.221 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.139 -7.028 1.211 1.00 0.00 C ATOM 0 H ILE A 60 3.372 -3.596 2.189 1.00 0.00 H new ATOM 0 HA ILE A 60 3.862 -4.329 -0.657 1.00 0.00 H new ATOM 0 HB ILE A 60 1.323 -4.466 0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.420 -6.870 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.190 -6.421 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.364 -5.403 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.964 -3.741 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.930 -5.118 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.401 -8.071 1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.998 -6.522 2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.215 -6.979 0.634 1.00 0.00 H new ATOM 945 N PHE A 61 3.096 -2.082 -1.348 1.00 0.00 N ATOM 946 CA PHE A 61 2.861 -0.738 -1.832 1.00 0.00 C ATOM 947 C PHE A 61 1.634 -0.831 -2.728 1.00 0.00 C ATOM 948 O PHE A 61 1.623 -1.624 -3.674 1.00 0.00 O ATOM 949 CB PHE A 61 4.111 -0.222 -2.565 1.00 0.00 C ATOM 950 CG PHE A 61 5.329 0.050 -1.690 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.172 0.642 -0.423 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.631 -0.256 -2.142 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.285 0.914 0.385 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.750 0.070 -1.353 1.00 0.00 C ATOM 955 CZ PHE A 61 7.578 0.651 -0.090 1.00 0.00 C ATOM 0 H PHE A 61 3.411 -2.713 -2.085 1.00 0.00 H new ATOM 0 HA PHE A 61 2.676 -0.022 -1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.390 -0.951 -3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.849 0.699 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.182 0.890 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.769 -0.742 -3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.147 1.326 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.745 -0.129 -1.723 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.438 0.896 0.516 1.00 0.00 H new ATOM 965 N HIS A 62 0.613 -0.024 -2.433 1.00 0.00 N ATOM 966 CA HIS A 62 -0.644 0.019 -3.151 1.00 0.00 C ATOM 967 C HIS A 62 -0.948 1.462 -3.572 1.00 0.00 C ATOM 968 O HIS A 62 -0.786 2.399 -2.781 1.00 0.00 O ATOM 969 CB HIS A 62 -1.718 -0.571 -2.220 1.00 0.00 C ATOM 970 CG HIS A 62 -3.022 -0.940 -2.877 1.00 0.00 C ATOM 971 ND1 HIS A 62 -4.126 -1.433 -2.234 1.00 0.00 N flip ATOM 972 CD2 HIS A 62 -3.277 -0.995 -4.225 1.00 0.00 C flip ATOM 973 CE1 HIS A 62 -5.081 -1.762 -3.201 1.00 0.00 C flip ATOM 974 NE2 HIS A 62 -4.509 -1.500 -4.386 1.00 0.00 N flip ATOM 0 H HIS A 62 0.649 0.638 -1.658 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.613 -0.568 -4.069 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.309 -1.461 -1.742 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.922 0.150 -1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.606 -0.687 -5.014 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.075 -2.148 -3.029 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -4.952 -1.663 -5.290 1.00 0.00 H new ATOM 982 N CYS A 63 -1.359 1.652 -4.827 1.00 0.00 N ATOM 983 CA CYS A 63 -1.719 2.927 -5.432 1.00 0.00 C ATOM 984 C CYS A 63 -3.169 2.857 -5.949 1.00 0.00 C ATOM 985 O CYS A 63 -3.918 1.953 -5.574 1.00 0.00 O ATOM 986 CB CYS A 63 -0.661 3.353 -6.462 1.00 0.00 C ATOM 987 SG CYS A 63 -0.730 2.422 -8.016 1.00 0.00 S ATOM 0 H CYS A 63 -1.453 0.875 -5.481 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.712 3.730 -4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.787 4.414 -6.680 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.329 3.233 -6.022 1.00 0.00 H new ATOM 0 HG CYS A 63 0.196 2.852 -8.821 1.00 0.00 H new ATOM 993 N GLN A 64 -3.612 3.834 -6.748 1.00 0.00 N ATOM 994 CA GLN A 64 -4.980 3.835 -7.266 1.00 0.00 C ATOM 995 C GLN A 64 -5.201 2.703 -8.275 1.00 0.00 C ATOM 996 O GLN A 64 -6.283 2.115 -8.283 1.00 0.00 O ATOM 997 CB GLN A 64 -5.328 5.215 -7.845 1.00 0.00 C ATOM 998 CG GLN A 64 -6.776 5.341 -8.343 1.00 0.00 C ATOM 999 CD GLN A 64 -7.114 6.801 -8.640 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -7.345 7.586 -7.719 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -7.151 7.210 -9.898 1.00 0.00 N ATOM 0 H GLN A 64 -3.046 4.628 -7.047 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.665 3.642 -6.440 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.151 5.972 -7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.651 5.431 -8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.911 4.740 -9.242 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.461 4.949 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.958 6.553 -10.654 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.372 8.183 -10.112 1.00 0.00 H new ATOM 1087 N SER A 70 5.500 0.271 -9.462 1.00 0.00 N ATOM 1088 CA SER A 70 6.356 -0.151 -10.571 1.00 0.00 C ATOM 1089 C SER A 70 6.973 1.026 -11.352 1.00 0.00 C ATOM 1090 O SER A 70 7.440 0.848 -12.476 1.00 0.00 O ATOM 1091 CB SER A 70 5.554 -1.120 -11.451 1.00 0.00 C ATOM 1092 OG SER A 70 5.121 -2.218 -10.662 1.00 0.00 O ATOM 0 HA SER A 70 7.228 -0.670 -10.174 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.695 -0.609 -11.887 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.169 -1.472 -12.279 1.00 0.00 H new ATOM 0 HG SER A 70 4.679 -1.885 -9.853 1.00 0.00 H new ATOM 1098 N ASN A 71 7.046 2.217 -10.746 1.00 0.00 N ATOM 1099 CA ASN A 71 7.589 3.439 -11.363 1.00 0.00 C ATOM 1100 C ASN A 71 8.845 3.986 -10.674 1.00 0.00 C ATOM 1101 O ASN A 71 9.629 4.684 -11.322 1.00 0.00 O ATOM 1102 CB ASN A 71 6.509 4.531 -11.416 1.00 0.00 C ATOM 1103 CG ASN A 71 5.679 4.489 -12.686 1.00 0.00 C ATOM 1104 OD1 ASN A 71 5.679 5.446 -13.455 1.00 0.00 O ATOM 1105 ND2 ASN A 71 4.944 3.420 -12.928 1.00 0.00 N ATOM 0 H ASN A 71 6.722 2.364 -9.790 1.00 0.00 H new ATOM 0 HA ASN A 71 7.894 3.152 -12.370 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.850 4.423 -10.555 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.985 5.508 -11.333 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.363 3.379 -13.765 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.957 2.634 -12.278 1.00 0.00 H new ATOM 1112 N ASN A 72 9.038 3.707 -9.382 1.00 0.00 N ATOM 1113 CA ASN A 72 10.185 4.127 -8.564 1.00 0.00 C ATOM 1114 C ASN A 72 10.750 2.897 -7.847 1.00 0.00 C ATOM 1115 O ASN A 72 11.330 3.045 -6.778 1.00 0.00 O ATOM 1116 CB ASN A 72 9.820 5.215 -7.515 1.00 0.00 C ATOM 1117 CG ASN A 72 9.640 6.618 -8.068 1.00 0.00 C ATOM 1118 OD1 ASN A 72 10.137 6.968 -9.135 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.975 7.468 -7.311 1.00 0.00 N ATOM 0 H ASN A 72 8.366 3.155 -8.849 1.00 0.00 H new ATOM 0 HA ASN A 72 10.922 4.571 -9.233 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.898 4.919 -7.015 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.601 5.240 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.865 8.438 -7.608 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.570 7.156 -6.428 1.00 0.00 H new ATOM 1126 N ALA A 73 10.538 1.685 -8.366 1.00 0.00 N ATOM 1127 CA ALA A 73 10.996 0.436 -7.789 1.00 0.00 C ATOM 1128 C ALA A 73 12.469 0.464 -7.383 1.00 0.00 C ATOM 1129 O ALA A 73 12.797 -0.191 -6.409 1.00 0.00 O ATOM 1130 CB ALA A 73 10.718 -0.706 -8.761 1.00 0.00 C ATOM 0 H ALA A 73 10.021 1.551 -9.235 1.00 0.00 H new ATOM 0 HA ALA A 73 10.437 0.279 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.062 -1.645 -8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.647 -0.767 -8.954 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.246 -0.524 -9.697 1.00 0.00 H new ATOM 1136 N ASP A 74 13.333 1.221 -8.064 1.00 0.00 N ATOM 1137 CA ASP A 74 14.746 1.332 -7.756 1.00 0.00 C ATOM 1138 C ASP A 74 14.906 1.935 -6.365 1.00 0.00 C ATOM 1139 O ASP A 74 15.338 1.250 -5.433 1.00 0.00 O ATOM 1140 CB ASP A 74 15.415 2.185 -8.843 1.00 0.00 C ATOM 1141 CG ASP A 74 16.059 1.362 -9.957 1.00 0.00 C ATOM 1142 OD1 ASP A 74 16.512 0.218 -9.714 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.099 1.857 -11.107 1.00 0.00 O ATOM 0 H ASP A 74 13.053 1.786 -8.866 1.00 0.00 H new ATOM 0 HA ASP A 74 15.230 0.355 -7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.671 2.852 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.176 2.815 -8.382 1.00 0.00 H new ATOM 1148 N LYS A 75 14.519 3.207 -6.208 1.00 0.00 N ATOM 1149 CA LYS A 75 14.604 3.876 -4.916 1.00 0.00 C ATOM 1150 C LYS A 75 13.751 3.156 -3.897 1.00 0.00 C ATOM 1151 O LYS A 75 14.218 2.898 -2.799 1.00 0.00 O ATOM 1152 CB LYS A 75 14.319 5.358 -4.931 1.00 0.00 C ATOM 1153 CG LYS A 75 13.081 5.815 -5.625 1.00 0.00 C ATOM 1154 CD LYS A 75 13.263 5.923 -7.137 1.00 0.00 C ATOM 1155 CE LYS A 75 12.935 7.363 -7.566 1.00 0.00 C ATOM 1156 NZ LYS A 75 12.917 7.542 -9.030 1.00 0.00 N ATOM 0 H LYS A 75 14.146 3.787 -6.960 1.00 0.00 H new ATOM 0 HA LYS A 75 15.654 3.816 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.271 5.702 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.169 5.859 -5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.270 5.120 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.783 6.786 -5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.286 5.669 -7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.609 5.217 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.963 7.644 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.670 8.041 -7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.214 8.511 -9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.570 6.863 -9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.954 7.379 -9.388 1.00 0.00 H new ATOM 1170 N LEU A 76 12.512 2.828 -4.256 1.00 0.00 N ATOM 1171 CA LEU A 76 11.600 2.130 -3.345 1.00 0.00 C ATOM 1172 C LEU A 76 12.236 0.862 -2.778 1.00 0.00 C ATOM 1173 O LEU A 76 12.162 0.661 -1.564 1.00 0.00 O ATOM 1174 CB LEU A 76 10.253 1.790 -3.997 1.00 0.00 C ATOM 1175 CG LEU A 76 9.300 2.981 -4.189 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.994 2.465 -4.805 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.984 3.693 -2.870 1.00 0.00 C ATOM 0 H LEU A 76 12.113 3.034 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 76 11.406 2.826 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.443 1.336 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.752 1.039 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 76 9.790 3.703 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.305 3.298 -4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.205 1.999 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.542 1.731 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.307 4.526 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.512 2.992 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.907 4.068 -2.429 1.00 0.00 H new ATOM 1189 N ALA A 77 12.853 0.030 -3.626 1.00 0.00 N ATOM 1190 CA ALA A 77 13.505 -1.201 -3.178 1.00 0.00 C ATOM 1191 C ALA A 77 14.608 -0.923 -2.150 1.00 0.00 C ATOM 1192 O ALA A 77 14.840 -1.765 -1.285 1.00 0.00 O ATOM 1193 CB ALA A 77 14.090 -1.984 -4.356 1.00 0.00 C ATOM 0 H ALA A 77 12.913 0.191 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 77 12.732 -1.803 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.567 -2.892 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.292 -2.248 -5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.829 -1.369 -4.871 1.00 0.00 H new ATOM 1199 N ALA A 78 15.295 0.218 -2.250 1.00 0.00 N ATOM 1200 CA ALA A 78 16.363 0.599 -1.336 1.00 0.00 C ATOM 1201 C ALA A 78 15.808 1.224 -0.052 1.00 0.00 C ATOM 1202 O ALA A 78 16.226 0.874 1.046 1.00 0.00 O ATOM 1203 CB ALA A 78 17.277 1.606 -2.045 1.00 0.00 C ATOM 0 H ALA A 78 15.119 0.909 -2.979 1.00 0.00 H new ATOM 0 HA ALA A 78 16.919 -0.295 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 78 18.083 1.902 -1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.700 1.147 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.699 2.486 -2.328 1.00 0.00 H new ATOM 1209 N ILE A 79 14.850 2.144 -0.181 1.00 0.00 N ATOM 1210 CA ILE A 79 14.240 2.856 0.932 1.00 0.00 C ATOM 1211 C ILE A 79 13.568 1.912 1.935 1.00 0.00 C ATOM 1212 O ILE A 79 13.712 2.124 3.142 1.00 0.00 O ATOM 1213 CB ILE A 79 13.250 3.933 0.424 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.913 5.033 -0.435 1.00 0.00 C ATOM 1215 CG2 ILE A 79 12.598 4.645 1.624 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.918 5.730 -1.376 1.00 0.00 C ATOM 0 H ILE A 79 14.471 2.418 -1.087 1.00 0.00 H new ATOM 0 HA ILE A 79 15.046 3.357 1.468 1.00 0.00 H new ATOM 0 HB ILE A 79 12.528 3.397 -0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.368 5.775 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.717 4.593 -1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.902 5.402 1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.060 3.917 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.370 5.121 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.438 6.493 -1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.482 4.995 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.127 6.197 -0.788 1.00 0.00 H new ATOM 1228 N ALA A 80 12.799 0.927 1.464 1.00 0.00 N ATOM 1229 CA ALA A 80 12.094 0.002 2.345 1.00 0.00 C ATOM 1230 C ALA A 80 13.004 -0.997 3.077 1.00 0.00 C ATOM 1231 O ALA A 80 12.686 -1.379 4.209 1.00 0.00 O ATOM 1232 CB ALA A 80 11.041 -0.738 1.519 1.00 0.00 C ATOM 0 H ALA A 80 12.650 0.752 0.470 1.00 0.00 H new ATOM 0 HA ALA A 80 11.635 0.595 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.501 -1.436 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.341 -0.019 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.530 -1.287 0.714 1.00 0.00 H new ATOM 1238 N ALA A 81 14.126 -1.382 2.464 1.00 0.00 N ATOM 1239 CA ALA A 81 15.101 -2.335 2.986 1.00 0.00 C ATOM 1240 C ALA A 81 15.578 -2.059 4.418 1.00 0.00 C ATOM 1241 O ALA A 81 15.689 -0.890 4.793 1.00 0.00 O ATOM 1242 CB ALA A 81 16.318 -2.337 2.054 1.00 0.00 C ATOM 0 H ALA A 81 14.389 -1.019 1.548 1.00 0.00 H new ATOM 0 HA ALA A 81 14.594 -3.299 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.060 -3.043 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.008 -2.631 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.753 -1.338 2.021 1.00 0.00 H new ATOM 1248 N PRO A 82 15.972 -3.085 5.200 1.00 0.00 N ATOM 1249 CA PRO A 82 15.996 -4.510 4.871 1.00 0.00 C ATOM 1250 C PRO A 82 14.615 -5.131 5.123 1.00 0.00 C ATOM 1251 O PRO A 82 14.156 -5.227 6.264 1.00 0.00 O ATOM 1252 CB PRO A 82 17.055 -5.115 5.789 1.00 0.00 C ATOM 1253 CG PRO A 82 17.001 -4.240 7.037 1.00 0.00 C ATOM 1254 CD PRO A 82 16.558 -2.871 6.516 1.00 0.00 C ATOM 0 HA PRO A 82 16.231 -4.693 3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.834 -6.157 6.022 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.043 -5.094 5.328 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.297 -4.634 7.770 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.973 -4.184 7.527 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.833 -2.417 7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.406 -2.189 6.454 1.00 0.00 H new ATOM 1262 N ALA A 83 13.932 -5.514 4.047 1.00 0.00 N ATOM 1263 CA ALA A 83 12.605 -6.116 4.027 1.00 0.00 C ATOM 1264 C ALA A 83 12.358 -6.594 2.596 1.00 0.00 C ATOM 1265 O ALA A 83 13.291 -6.702 1.794 1.00 0.00 O ATOM 1266 CB ALA A 83 11.573 -5.036 4.399 1.00 0.00 C ATOM 0 H ALA A 83 14.316 -5.405 3.108 1.00 0.00 H new ATOM 0 HA ALA A 83 12.524 -6.945 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.573 -5.470 4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.792 -4.651 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.623 -4.221 3.677 1.00 0.00 H new ATOM 1272 N GLU A 84 11.109 -6.875 2.262 1.00 0.00 N ATOM 1273 CA GLU A 84 10.659 -7.282 0.941 1.00 0.00 C ATOM 1274 C GLU A 84 9.544 -6.301 0.590 1.00 0.00 C ATOM 1275 O GLU A 84 8.787 -5.886 1.472 1.00 0.00 O ATOM 1276 CB GLU A 84 10.199 -8.738 0.899 1.00 0.00 C ATOM 1277 CG GLU A 84 11.372 -9.692 1.150 1.00 0.00 C ATOM 1278 CD GLU A 84 11.029 -11.144 0.812 1.00 0.00 C ATOM 1279 OE1 GLU A 84 10.980 -12.011 1.719 1.00 0.00 O ATOM 1280 OE2 GLU A 84 10.853 -11.417 -0.397 1.00 0.00 O ATOM 0 H GLU A 84 10.346 -6.823 2.936 1.00 0.00 H new ATOM 0 HA GLU A 84 11.468 -7.248 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.426 -8.901 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.751 -8.954 -0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.227 -9.376 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.672 -9.627 2.196 1.00 0.00 H new ATOM 1287 N ILE A 85 9.449 -5.933 -0.686 1.00 0.00 N ATOM 1288 CA ILE A 85 8.465 -4.985 -1.187 1.00 0.00 C ATOM 1289 C ILE A 85 7.731 -5.557 -2.383 1.00 0.00 C ATOM 1290 O ILE A 85 8.362 -5.977 -3.352 1.00 0.00 O ATOM 1291 CB ILE A 85 9.078 -3.611 -1.527 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.439 -3.640 -2.258 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.097 -2.754 -0.261 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.663 -3.757 -1.346 1.00 0.00 C ATOM 0 H ILE A 85 10.067 -6.294 -1.412 1.00 0.00 H new ATOM 0 HA ILE A 85 7.751 -4.818 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 85 8.431 -3.156 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.442 -4.479 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.534 -2.732 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.528 -1.779 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.079 -2.624 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.697 -3.247 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.569 -3.769 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.693 -2.905 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.600 -4.680 -0.769 1.00 0.00 H new ATOM 1306 N PHE A 86 6.401 -5.517 -2.332 1.00 0.00 N ATOM 1307 CA PHE A 86 5.555 -6.029 -3.394 1.00 0.00 C ATOM 1308 C PHE A 86 4.677 -4.900 -3.899 1.00 0.00 C ATOM 1309 O PHE A 86 4.232 -4.052 -3.121 1.00 0.00 O ATOM 1310 CB PHE A 86 4.724 -7.209 -2.887 1.00 0.00 C ATOM 1311 CG PHE A 86 5.566 -8.340 -2.333 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.022 -8.291 -1.003 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.917 -9.428 -3.149 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.908 -9.269 -0.529 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.785 -10.422 -2.663 1.00 0.00 C ATOM 1316 CZ PHE A 86 7.315 -10.319 -1.367 1.00 0.00 C ATOM 0 H PHE A 86 5.883 -5.125 -1.546 1.00 0.00 H new ATOM 0 HA PHE A 86 6.164 -6.397 -4.219 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.043 -6.858 -2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.109 -7.589 -3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.690 -7.500 -0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.520 -9.501 -4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.278 -9.214 0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.044 -11.265 -3.287 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.033 -11.045 -1.016 1.00 0.00 H new ATOM 1326 N LEU A 87 4.434 -4.880 -5.206 1.00 0.00 N ATOM 1327 CA LEU A 87 3.617 -3.879 -5.859 1.00 0.00 C ATOM 1328 C LEU A 87 2.268 -4.527 -6.126 1.00 0.00 C ATOM 1329 O LEU A 87 2.182 -5.389 -7.006 1.00 0.00 O ATOM 1330 CB LEU A 87 4.287 -3.405 -7.162 1.00 0.00 C ATOM 1331 CG LEU A 87 5.642 -2.681 -7.043 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.658 -1.587 -5.970 1.00 0.00 C ATOM 1333 CD2 LEU A 87 6.838 -3.607 -6.809 1.00 0.00 C ATOM 0 H LEU A 87 4.810 -5.577 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 87 3.495 -2.994 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.426 -4.275 -7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.593 -2.738 -7.674 1.00 0.00 H new ATOM 0 HG LEU A 87 5.753 -2.224 -8.026 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.642 -1.120 -5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.906 -0.834 -6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.437 -2.028 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.749 -3.013 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.693 -4.162 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.925 -4.306 -7.640 1.00 0.00 H new ATOM 1345 N LEU A 88 1.246 -4.171 -5.341 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.104 -4.713 -5.509 1.00 0.00 C ATOM 1347 C LEU A 88 -0.528 -4.329 -6.925 1.00 0.00 C ATOM 1348 O LEU A 88 -0.473 -3.149 -7.278 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.046 -4.201 -4.406 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.167 -5.209 -4.073 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.846 -4.812 -2.760 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.241 -5.301 -5.160 1.00 0.00 C ATOM 0 H LEU A 88 1.331 -3.502 -4.575 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.140 -5.797 -5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.468 -3.995 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.492 -3.258 -4.722 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.687 -6.185 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.636 -5.526 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.110 -4.812 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.275 -3.815 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.998 -6.027 -4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.707 -4.325 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.784 -5.617 -6.098 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.853 -5.320 -7.755 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.221 -5.080 -9.139 1.00 0.00 C ATOM 1366 C GLU A 89 -2.580 -4.425 -9.359 1.00 0.00 C ATOM 1367 O GLU A 89 -2.618 -3.370 -9.996 1.00 0.00 O ATOM 1368 CB GLU A 89 -1.068 -6.377 -9.943 1.00 0.00 C ATOM 1369 CG GLU A 89 -0.982 -6.038 -11.436 1.00 0.00 C ATOM 1370 CD GLU A 89 -0.885 -7.268 -12.331 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -0.326 -8.305 -11.910 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -1.332 -7.172 -13.493 1.00 0.00 O ATOM 0 H GLU A 89 -0.867 -6.303 -7.484 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.524 -4.327 -9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.172 -6.911 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.915 -7.037 -9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.860 -5.459 -11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.113 -5.403 -11.608 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.679 -5.046 -8.919 1.00 0.00 N ATOM 1380 CA ASP A 90 -4.987 -4.437 -9.153 1.00 0.00 C ATOM 1381 C ASP A 90 -5.118 -3.148 -8.344 1.00 0.00 C ATOM 1382 O ASP A 90 -4.438 -2.963 -7.336 1.00 0.00 O ATOM 1383 CB ASP A 90 -6.155 -5.407 -8.918 1.00 0.00 C ATOM 1384 CG ASP A 90 -7.360 -5.073 -9.815 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -8.213 -5.959 -10.028 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -7.436 -3.957 -10.391 1.00 0.00 O ATOM 0 H ASP A 90 -3.691 -5.935 -8.419 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.048 -4.181 -10.211 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.826 -6.427 -9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.458 -5.366 -7.872 1.00 0.00 H new ATOM 1391 N GLY A 91 -5.954 -2.217 -8.793 1.00 0.00 N ATOM 1392 CA GLY A 91 -6.157 -0.942 -8.135 1.00 0.00 C ATOM 1393 C GLY A 91 -7.054 -1.051 -6.912 1.00 0.00 C ATOM 1394 O GLY A 91 -7.862 -1.972 -6.797 1.00 0.00 O ATOM 0 H GLY A 91 -6.515 -2.334 -9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.191 -0.533 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.597 -0.238 -8.842 1.00 0.00 H new ATOM 1398 N ILE A 92 -6.964 -0.061 -6.017 1.00 0.00 N ATOM 1399 CA ILE A 92 -7.763 0.014 -4.785 1.00 0.00 C ATOM 1400 C ILE A 92 -9.264 0.074 -5.130 1.00 0.00 C ATOM 1401 O ILE A 92 -10.150 -0.266 -4.343 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.241 1.188 -3.938 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.623 1.056 -2.445 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.569 2.542 -4.593 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.917 1.731 -1.976 1.00 0.00 C ATOM 0 H ILE A 92 -6.323 0.725 -6.129 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.654 -0.882 -4.174 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.152 1.145 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.695 -0.006 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.801 1.458 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.187 3.350 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.104 2.592 -5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.649 2.644 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.054 1.554 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.855 2.803 -2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.763 1.316 -2.524 1.00 0.00 H new ATOM 1417 N ASP A 93 -9.561 0.483 -6.361 1.00 0.00 N ATOM 1418 CA ASP A 93 -10.899 0.559 -6.914 1.00 0.00 C ATOM 1419 C ASP A 93 -11.497 -0.855 -6.811 1.00 0.00 C ATOM 1420 O ASP A 93 -12.633 -1.024 -6.369 1.00 0.00 O ATOM 1421 CB ASP A 93 -10.760 1.048 -8.354 1.00 0.00 C ATOM 1422 CG ASP A 93 -12.063 1.534 -8.954 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -12.582 2.574 -8.491 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -12.479 0.959 -9.984 1.00 0.00 O ATOM 0 H ASP A 93 -8.843 0.781 -7.022 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.561 1.249 -6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.030 1.857 -8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.366 0.238 -8.968 1.00 0.00 H new ATOM 1429 N GLY A 94 -10.672 -1.869 -7.114 1.00 0.00 N ATOM 1430 CA GLY A 94 -10.955 -3.294 -7.094 1.00 0.00 C ATOM 1431 C GLY A 94 -10.792 -3.934 -5.714 1.00 0.00 C ATOM 1432 O GLY A 94 -11.369 -4.999 -5.494 1.00 0.00 O ATOM 0 H GLY A 94 -9.711 -1.687 -7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.975 -3.458 -7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.293 -3.797 -7.799 1.00 0.00 H new ATOM 1436 N TRP A 95 -10.060 -3.304 -4.780 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.859 -3.794 -3.406 1.00 0.00 C ATOM 1438 C TRP A 95 -11.262 -4.007 -2.820 1.00 0.00 C ATOM 1439 O TRP A 95 -11.646 -5.099 -2.403 1.00 0.00 O ATOM 1440 CB TRP A 95 -9.041 -2.769 -2.596 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.865 -3.024 -1.133 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.723 -2.647 -0.158 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.747 -3.661 -0.449 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -9.237 -3.049 1.067 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -8.040 -3.724 0.945 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.522 -4.209 -0.877 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -7.192 -4.371 1.859 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.629 -4.795 0.045 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.975 -4.907 1.404 1.00 0.00 C ATOM 0 H TRP A 95 -9.582 -2.422 -4.963 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.295 -4.726 -3.378 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -8.051 -2.698 -3.046 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.514 -1.794 -2.712 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.648 -2.112 -0.316 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.705 -2.870 1.955 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.263 -4.180 -1.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.472 -4.456 2.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.672 -5.161 -0.296 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.309 -5.403 2.094 1.00 0.00 H new ATOM 1460 N LYS A 96 -12.075 -2.946 -2.878 1.00 0.00 N ATOM 1461 CA LYS A 96 -13.452 -2.953 -2.395 1.00 0.00 C ATOM 1462 C LYS A 96 -14.293 -3.966 -3.156 1.00 0.00 C ATOM 1463 O LYS A 96 -15.088 -4.671 -2.538 1.00 0.00 O ATOM 1464 CB LYS A 96 -14.081 -1.571 -2.574 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.505 -0.540 -1.599 1.00 0.00 C ATOM 1466 CD LYS A 96 -14.076 0.855 -1.878 1.00 0.00 C ATOM 1467 CE LYS A 96 -13.218 1.700 -2.830 1.00 0.00 C ATOM 1468 NZ LYS A 96 -13.124 1.188 -4.216 1.00 0.00 N ATOM 0 H LYS A 96 -11.787 -2.049 -3.268 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.429 -3.223 -1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.920 -1.230 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -15.159 -1.643 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.735 -0.834 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.419 -0.517 -1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.075 0.750 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.185 1.388 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.625 2.711 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.212 1.774 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.914 1.975 -4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.365 0.480 -4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.028 0.749 -4.486 1.00 0.00 H new ATOM 1482 N LYS A 97 -14.148 -4.041 -4.484 1.00 0.00 N ATOM 1483 CA LYS A 97 -14.910 -4.971 -5.318 1.00 0.00 C ATOM 1484 C LYS A 97 -14.660 -6.429 -4.933 1.00 0.00 C ATOM 1485 O LYS A 97 -15.527 -7.262 -5.187 1.00 0.00 O ATOM 1486 CB LYS A 97 -14.579 -4.768 -6.798 1.00 0.00 C ATOM 1487 CG LYS A 97 -14.967 -3.407 -7.397 1.00 0.00 C ATOM 1488 CD LYS A 97 -16.480 -3.317 -7.629 1.00 0.00 C ATOM 1489 CE LYS A 97 -16.901 -2.016 -8.319 1.00 0.00 C ATOM 1490 NZ LYS A 97 -16.432 -1.945 -9.717 1.00 0.00 N ATOM 0 H LYS A 97 -13.497 -3.457 -5.009 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.964 -4.754 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.506 -4.909 -6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.077 -5.550 -7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.651 -2.608 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.442 -3.258 -8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.800 -4.164 -8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.995 -3.398 -6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.988 -1.932 -8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.505 -1.167 -7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.812 -1.088 -10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.393 -1.913 -9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.761 -2.784 -10.236 1.00 0.00 H new ATOM 1504 N ALA A 98 -13.496 -6.762 -4.368 1.00 0.00 N ATOM 1505 CA ALA A 98 -13.213 -8.131 -3.939 1.00 0.00 C ATOM 1506 C ALA A 98 -13.995 -8.456 -2.657 1.00 0.00 C ATOM 1507 O ALA A 98 -14.194 -9.624 -2.323 1.00 0.00 O ATOM 1508 CB ALA A 98 -11.720 -8.309 -3.654 1.00 0.00 C ATOM 0 H ALA A 98 -12.737 -6.102 -4.198 1.00 0.00 H new ATOM 0 HA ALA A 98 -13.515 -8.803 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -11.530 -9.334 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -11.149 -8.098 -4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.416 -7.622 -2.864 1.00 0.00 H new ATOM 1514 N GLY A 99 -14.437 -7.417 -1.941 1.00 0.00 N ATOM 1515 CA GLY A 99 -15.182 -7.480 -0.698 1.00 0.00 C ATOM 1516 C GLY A 99 -14.358 -6.993 0.491 1.00 0.00 C ATOM 1517 O GLY A 99 -14.801 -7.140 1.630 1.00 0.00 O ATOM 0 H GLY A 99 -14.270 -6.456 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.084 -6.875 -0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.503 -8.506 -0.520 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.155 -6.454 0.255 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.288 -5.968 1.321 1.00 0.00 C ATOM 1523 C LEU A 100 -12.810 -4.623 1.868 1.00 0.00 C ATOM 1524 O LEU A 100 -13.383 -3.836 1.107 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.840 -5.856 0.830 1.00 0.00 C ATOM 1526 CG LEU A 100 -10.247 -7.144 0.228 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.823 -6.877 -0.262 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -10.222 -8.288 1.242 1.00 0.00 C ATOM 0 H LEU A 100 -12.762 -6.345 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.301 -6.687 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.788 -5.067 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.214 -5.543 1.665 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.885 -7.442 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.407 -7.791 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.840 -6.098 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.205 -6.552 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.797 -9.177 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.614 -8.001 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.238 -8.503 1.573 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.593 -4.328 3.163 1.00 0.00 N ATOM 1541 CA PRO A 101 -13.038 -3.108 3.834 1.00 0.00 C ATOM 1542 C PRO A 101 -12.164 -1.887 3.519 1.00 0.00 C ATOM 1543 O PRO A 101 -11.090 -2.001 2.921 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.975 -3.459 5.328 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.775 -4.402 5.402 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.917 -5.201 4.108 1.00 0.00 C ATOM 0 HA PRO A 101 -14.034 -2.817 3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.832 -2.573 5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.891 -3.942 5.669 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.831 -3.858 5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.813 -5.043 6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.941 -5.504 3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.491 -6.113 4.275 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.601 -0.709 3.975 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.921 0.573 3.793 1.00 0.00 C ATOM 1556 C VAL A 102 -11.824 1.340 5.118 1.00 0.00 C ATOM 1557 O VAL A 102 -12.567 1.068 6.060 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.599 1.413 2.697 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -12.066 1.000 1.320 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -14.128 1.338 2.725 1.00 0.00 C ATOM 0 H VAL A 102 -13.471 -0.621 4.500 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.903 0.368 3.460 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.346 2.454 2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.550 1.598 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.989 1.163 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.280 -0.055 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.537 1.954 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.444 0.304 2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.493 1.702 3.686 1.00 0.00 H new ATOM 1570 N ALA A 103 -10.869 2.269 5.200 1.00 0.00 N ATOM 1571 CA ALA A 103 -10.576 3.124 6.347 1.00 0.00 C ATOM 1572 C ALA A 103 -11.548 4.298 6.355 1.00 0.00 C ATOM 1573 O ALA A 103 -11.162 5.462 6.257 1.00 0.00 O ATOM 1574 CB ALA A 103 -9.121 3.609 6.311 1.00 0.00 C ATOM 0 H ALA A 103 -10.242 2.454 4.417 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.702 2.551 7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.928 4.244 7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.450 2.750 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.950 4.178 5.397 1.00 0.00 H new