USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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 20 CYS SG : rot 23:sc= -1.15! USER MOD Set 1.2: A 42 CYS SG : rot -91:sc= 2.02 USER MOD Set 2.1: A 15 SER OG : rot 180:sc= 1.2 USER MOD Set 2.2: A 17 SER OG : rot -81:sc= 1.21 USER MOD Single : A 1 MET CE :methyl -115:sc= -0.501 (180deg=-0.792) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.061 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.00817 USER MOD Single : A 5 ASN :FLIP amide:sc= -2.09 F(o=-4.8!,f=-2.1) USER MOD Single : A 9 ASN : amide:sc= -1.89 X(o=-1.9,f=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -126:sc= -0.359 (180deg=-2.27!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -16.5! C(o=-16!,f=-17!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.00763 USER MOD Single : A 51 MET CE :methyl -170:sc=-0.00359 (180deg=-0.159) USER MOD Single : A 52 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.52) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= -1.66 (180deg=-1.94) USER MOD Single : A 60 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-4.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.49) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.143 F(o=-1.6,f=-0.14) USER MOD Single : A 70 HIS : no HD1:sc= -0.379 K(o=-0.38,f=-1.9) USER MOD Single : A 74 ASN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 80 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.2!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -3.37! C(o=-3.4!,f=-13!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -149:sc= -0.0924 (180deg=-0.601) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0883 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.464 14.720 -5.677 1.00 0.00 N ATOM 2 CA MET A 1 7.062 14.370 -5.531 1.00 0.00 C ATOM 3 C MET A 1 6.899 13.076 -4.730 1.00 0.00 C ATOM 4 O MET A 1 7.781 12.218 -4.745 1.00 0.00 O ATOM 5 CB MET A 1 6.431 14.197 -6.914 1.00 0.00 C ATOM 6 CG MET A 1 5.949 15.538 -7.470 1.00 0.00 C ATOM 7 SD MET A 1 4.167 15.554 -7.568 1.00 0.00 S ATOM 8 CE MET A 1 3.912 14.270 -8.782 1.00 0.00 C ATOM 0 H1 MET A 1 8.644 15.032 -6.652 1.00 0.00 H new ATOM 0 H2 MET A 1 8.700 15.489 -5.018 1.00 0.00 H new ATOM 0 H3 MET A 1 9.053 13.889 -5.465 1.00 0.00 H new ATOM 0 HA MET A 1 6.562 15.174 -4.992 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.158 13.757 -7.597 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.593 13.503 -6.851 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.293 16.351 -6.831 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.377 15.706 -8.458 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.474 14.702 -9.682 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.868 13.808 -9.029 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.238 13.515 -8.377 1.00 0.00 H new ATOM 16 N SER A 2 5.766 12.977 -4.051 1.00 0.00 N ATOM 17 CA SER A 2 5.477 11.802 -3.245 1.00 0.00 C ATOM 18 C SER A 2 4.001 11.423 -3.384 1.00 0.00 C ATOM 19 O SER A 2 3.123 12.276 -3.256 1.00 0.00 O ATOM 20 CB SER A 2 5.828 12.041 -1.776 1.00 0.00 C ATOM 21 OG SER A 2 5.221 13.226 -1.269 1.00 0.00 O ATOM 0 H SER A 2 5.037 13.690 -4.042 1.00 0.00 H new ATOM 0 HA SER A 2 6.093 10.979 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.505 11.186 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.910 12.113 -1.669 1.00 0.00 H new ATOM 0 HG SER A 2 4.332 13.334 -1.667 1.00 0.00 H new ATOM 26 N GLU A 3 3.772 10.144 -3.643 1.00 0.00 N ATOM 27 CA GLU A 3 2.418 9.642 -3.800 1.00 0.00 C ATOM 28 C GLU A 3 2.310 8.221 -3.242 1.00 0.00 C ATOM 29 O GLU A 3 3.144 7.368 -3.543 1.00 0.00 O ATOM 30 CB GLU A 3 1.982 9.690 -5.266 1.00 0.00 C ATOM 31 CG GLU A 3 3.121 9.257 -6.191 1.00 0.00 C ATOM 32 CD GLU A 3 3.853 10.473 -6.764 1.00 0.00 C ATOM 33 OE1 GLU A 3 3.273 11.227 -7.560 1.00 0.00 O ATOM 34 OE2 GLU A 3 5.067 10.621 -6.356 1.00 0.00 O ATOM 0 H GLU A 3 4.502 9.440 -3.748 1.00 0.00 H new ATOM 0 HA GLU A 3 1.745 10.286 -3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.121 9.039 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.665 10.701 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.823 8.631 -5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.723 8.651 -7.005 1.00 0.00 H new ATOM 40 N VAL A 4 1.278 8.013 -2.438 1.00 0.00 N ATOM 41 CA VAL A 4 1.051 6.710 -1.835 1.00 0.00 C ATOM 42 C VAL A 4 -0.265 6.133 -2.359 1.00 0.00 C ATOM 43 O VAL A 4 -1.307 6.780 -2.277 1.00 0.00 O ATOM 44 CB VAL A 4 1.087 6.826 -0.310 1.00 0.00 C ATOM 45 CG1 VAL A 4 -0.179 7.503 0.218 1.00 0.00 C ATOM 46 CG2 VAL A 4 1.289 5.456 0.339 1.00 0.00 C ATOM 0 H VAL A 4 0.590 8.724 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 4 1.844 6.017 -2.114 1.00 0.00 H new ATOM 0 HB VAL A 4 1.938 7.452 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.128 7.573 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.261 8.504 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.052 6.915 -0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.311 5.567 1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.468 4.796 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.232 5.028 -0.001 1.00 0.00 H new ATOM 56 N ASN A 5 -0.174 4.922 -2.888 1.00 0.00 N ATOM 57 CA ASN A 5 -1.344 4.249 -3.426 1.00 0.00 C ATOM 58 C ASN A 5 -1.291 2.766 -3.055 1.00 0.00 C ATOM 59 O ASN A 5 -0.232 2.144 -3.122 1.00 0.00 O ATOM 60 CB ASN A 5 -1.387 4.354 -4.952 1.00 0.00 C ATOM 61 CG ASN A 5 -0.064 3.899 -5.570 1.00 0.00 C ATOM 62 OD1 ASN A 5 -0.103 2.674 -6.089 1.00 0.00 O flip ATOM 63 ND2 ASN A 5 0.927 4.610 -5.574 1.00 0.00 N flip ATOM 0 H ASN A 5 0.693 4.389 -2.956 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.230 4.727 -3.007 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.203 3.743 -5.339 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.594 5.384 -5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.889 5.541 -5.158 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.794 4.274 -5.993 1.00 0.00 H new ATOM 69 N ILE A 6 -2.447 2.242 -2.673 1.00 0.00 N ATOM 70 CA ILE A 6 -2.545 0.843 -2.292 1.00 0.00 C ATOM 71 C ILE A 6 -3.819 0.244 -2.891 1.00 0.00 C ATOM 72 O ILE A 6 -4.884 0.856 -2.833 1.00 0.00 O ATOM 73 CB ILE A 6 -2.451 0.695 -0.772 1.00 0.00 C ATOM 74 CG1 ILE A 6 -1.789 -0.632 -0.391 1.00 0.00 C ATOM 75 CG2 ILE A 6 -3.825 0.858 -0.119 1.00 0.00 C ATOM 76 CD1 ILE A 6 -0.301 -0.623 -0.746 1.00 0.00 C ATOM 0 H ILE A 6 -3.323 2.761 -2.619 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.706 0.277 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.816 1.494 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.911 -0.810 0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.285 -1.452 -0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.730 0.748 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.223 1.846 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.503 0.096 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.146 -1.577 -0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.184 -0.469 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.197 0.183 -0.207 1.00 0.00 H new ATOM 87 N VAL A 7 -3.667 -0.946 -3.454 1.00 0.00 N ATOM 88 CA VAL A 7 -4.792 -1.634 -4.063 1.00 0.00 C ATOM 89 C VAL A 7 -4.660 -3.138 -3.814 1.00 0.00 C ATOM 90 O VAL A 7 -3.682 -3.756 -4.231 1.00 0.00 O ATOM 91 CB VAL A 7 -4.881 -1.280 -5.549 1.00 0.00 C ATOM 92 CG1 VAL A 7 -3.552 -1.552 -6.258 1.00 0.00 C ATOM 93 CG2 VAL A 7 -6.028 -2.034 -6.225 1.00 0.00 C ATOM 0 H VAL A 7 -2.782 -1.451 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.728 -1.310 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.090 -0.213 -5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.642 -1.292 -7.313 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.766 -0.950 -5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.300 -2.608 -6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.069 -1.764 -7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.863 -3.107 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.970 -1.768 -5.746 1.00 0.00 H new ATOM 103 N VAL A 8 -5.659 -3.683 -3.135 1.00 0.00 N ATOM 104 CA VAL A 8 -5.666 -5.102 -2.826 1.00 0.00 C ATOM 105 C VAL A 8 -7.068 -5.666 -3.066 1.00 0.00 C ATOM 106 O VAL A 8 -8.000 -5.358 -2.324 1.00 0.00 O ATOM 107 CB VAL A 8 -5.167 -5.329 -1.397 1.00 0.00 C ATOM 108 CG1 VAL A 8 -5.314 -6.797 -0.992 1.00 0.00 C ATOM 109 CG2 VAL A 8 -3.720 -4.859 -1.240 1.00 0.00 C ATOM 0 H VAL A 8 -6.469 -3.167 -2.791 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.983 -5.639 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.787 -4.733 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.952 -6.931 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.364 -7.086 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.731 -7.421 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.390 -5.032 -0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.080 -5.415 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.656 -3.795 -1.467 1.00 0.00 H new ATOM 119 N ASN A 9 -7.173 -6.480 -4.106 1.00 0.00 N ATOM 120 CA ASN A 9 -8.446 -7.088 -4.454 1.00 0.00 C ATOM 121 C ASN A 9 -8.336 -8.608 -4.311 1.00 0.00 C ATOM 122 O ASN A 9 -7.632 -9.257 -5.082 1.00 0.00 O ATOM 123 CB ASN A 9 -8.829 -6.775 -5.901 1.00 0.00 C ATOM 124 CG ASN A 9 -9.772 -5.572 -5.972 1.00 0.00 C ATOM 125 OD1 ASN A 9 -10.661 -5.495 -6.804 1.00 0.00 O ATOM 126 ND2 ASN A 9 -9.530 -4.641 -5.054 1.00 0.00 N ATOM 0 H ASN A 9 -6.398 -6.733 -4.719 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.206 -6.685 -3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.930 -6.571 -6.483 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.309 -7.645 -6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.105 -3.799 -5.017 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.769 -4.768 -4.387 1.00 0.00 H new ATOM 132 N GLY A 10 -9.043 -9.130 -3.319 1.00 0.00 N ATOM 133 CA GLY A 10 -9.034 -10.560 -3.066 1.00 0.00 C ATOM 134 C GLY A 10 -8.210 -10.891 -1.820 1.00 0.00 C ATOM 135 O GLY A 10 -7.957 -12.059 -1.531 1.00 0.00 O ATOM 0 H GLY A 10 -9.626 -8.588 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.056 -10.916 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.621 -11.083 -3.929 1.00 0.00 H new ATOM 139 N ARG A 11 -7.812 -9.841 -1.117 1.00 0.00 N ATOM 140 CA ARG A 11 -7.022 -10.006 0.091 1.00 0.00 C ATOM 141 C ARG A 11 -5.835 -10.933 -0.173 1.00 0.00 C ATOM 142 O ARG A 11 -5.699 -11.973 0.470 1.00 0.00 O ATOM 143 CB ARG A 11 -7.867 -10.582 1.228 1.00 0.00 C ATOM 144 CG ARG A 11 -7.193 -10.355 2.583 1.00 0.00 C ATOM 145 CD ARG A 11 -8.188 -10.544 3.729 1.00 0.00 C ATOM 146 NE ARG A 11 -7.661 -9.921 4.965 1.00 0.00 N ATOM 147 CZ ARG A 11 -6.665 -10.445 5.711 1.00 0.00 C ATOM 148 NH1 ARG A 11 -6.078 -11.606 5.352 1.00 0.00 N ATOM 149 NH2 ARG A 11 -6.274 -9.803 6.795 1.00 0.00 N ATOM 0 H ARG A 11 -8.022 -8.873 -1.361 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.660 -9.021 0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.852 -10.116 1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.019 -11.649 1.068 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.361 -11.050 2.700 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.775 -9.349 2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.147 -10.097 3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.367 -11.606 3.895 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.076 -9.041 5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.386 -12.095 4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.326 -11.995 5.921 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.723 -8.925 7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.523 -10.184 7.370 1.00 0.00 H new ATOM 159 N GLU A 12 -5.005 -10.524 -1.121 1.00 0.00 N ATOM 160 CA GLU A 12 -3.833 -11.305 -1.480 1.00 0.00 C ATOM 161 C GLU A 12 -2.560 -10.596 -1.015 1.00 0.00 C ATOM 162 O GLU A 12 -2.546 -9.375 -0.857 1.00 0.00 O ATOM 163 CB GLU A 12 -3.792 -11.576 -2.984 1.00 0.00 C ATOM 164 CG GLU A 12 -3.537 -10.285 -3.766 1.00 0.00 C ATOM 165 CD GLU A 12 -3.080 -10.591 -5.194 1.00 0.00 C ATOM 166 OE1 GLU A 12 -3.557 -9.957 -6.147 1.00 0.00 O ATOM 167 OE2 GLU A 12 -2.195 -11.524 -5.296 1.00 0.00 O ATOM 0 H GLU A 12 -5.121 -9.661 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.895 -12.268 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.008 -12.301 -3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.735 -12.019 -3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.447 -9.685 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.778 -9.691 -3.257 1.00 0.00 H new ATOM 173 N ALA A 13 -1.519 -11.390 -0.809 1.00 0.00 N ATOM 174 CA ALA A 13 -0.244 -10.853 -0.366 1.00 0.00 C ATOM 175 C ALA A 13 0.892 -11.657 -1.001 1.00 0.00 C ATOM 176 O ALA A 13 0.706 -12.816 -1.368 1.00 0.00 O ATOM 177 CB ALA A 13 -0.186 -10.870 1.163 1.00 0.00 C ATOM 0 H ALA A 13 -1.533 -12.401 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.133 -9.817 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.771 -10.467 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.996 -10.261 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.292 -11.895 1.520 1.00 0.00 H new ATOM 183 N GLY A 14 2.042 -11.010 -1.112 1.00 0.00 N ATOM 184 CA GLY A 14 3.208 -11.651 -1.698 1.00 0.00 C ATOM 185 C GLY A 14 4.309 -10.629 -1.985 1.00 0.00 C ATOM 186 O GLY A 14 4.698 -10.437 -3.137 1.00 0.00 O ATOM 0 H GLY A 14 2.192 -10.049 -0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.585 -12.417 -1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.925 -12.155 -2.622 1.00 0.00 H new ATOM 190 N SER A 15 4.781 -9.998 -0.920 1.00 0.00 N ATOM 191 CA SER A 15 5.829 -9.000 -1.043 1.00 0.00 C ATOM 192 C SER A 15 6.713 -9.012 0.205 1.00 0.00 C ATOM 193 O SER A 15 6.484 -9.795 1.125 1.00 0.00 O ATOM 194 CB SER A 15 5.239 -7.606 -1.263 1.00 0.00 C ATOM 195 OG SER A 15 4.682 -7.067 -0.068 1.00 0.00 O ATOM 0 H SER A 15 4.456 -10.159 0.033 1.00 0.00 H new ATOM 0 HA SER A 15 6.437 -9.249 -1.913 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.016 -6.938 -1.634 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.468 -7.656 -2.032 1.00 0.00 H new ATOM 0 HG SER A 15 4.317 -6.176 -0.250 1.00 0.00 H new ATOM 200 N LYS A 16 7.706 -8.133 0.198 1.00 0.00 N ATOM 201 CA LYS A 16 8.624 -8.032 1.318 1.00 0.00 C ATOM 202 C LYS A 16 8.007 -7.144 2.400 1.00 0.00 C ATOM 203 O LYS A 16 8.707 -6.678 3.299 1.00 0.00 O ATOM 204 CB LYS A 16 9.999 -7.559 0.843 1.00 0.00 C ATOM 205 CG LYS A 16 11.115 -8.183 1.682 1.00 0.00 C ATOM 206 CD LYS A 16 12.428 -8.233 0.899 1.00 0.00 C ATOM 207 CE LYS A 16 13.120 -9.586 1.075 1.00 0.00 C ATOM 208 NZ LYS A 16 13.905 -9.927 -0.133 1.00 0.00 N ATOM 0 H LYS A 16 7.894 -7.485 -0.567 1.00 0.00 H new ATOM 0 HA LYS A 16 8.788 -9.012 1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.136 -7.824 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.056 -6.472 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.254 -7.605 2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.828 -9.191 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.232 -8.056 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.089 -7.436 1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.775 -9.556 1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.376 -10.360 1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.368 -10.848 0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.271 -9.976 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.627 -9.197 -0.295 1.00 0.00 H new ATOM 217 N SER A 17 6.705 -6.935 2.278 1.00 0.00 N ATOM 218 CA SER A 17 5.986 -6.110 3.234 1.00 0.00 C ATOM 219 C SER A 17 5.633 -6.933 4.473 1.00 0.00 C ATOM 220 O SER A 17 4.836 -6.500 5.305 1.00 0.00 O ATOM 221 CB SER A 17 4.720 -5.519 2.610 1.00 0.00 C ATOM 222 OG SER A 17 3.725 -6.514 2.378 1.00 0.00 O ATOM 0 H SER A 17 6.129 -7.323 1.531 1.00 0.00 H new ATOM 0 HA SER A 17 6.633 -5.283 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.317 -4.749 3.268 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.973 -5.033 1.668 1.00 0.00 H new ATOM 0 HG SER A 17 3.928 -6.992 1.547 1.00 0.00 H new ATOM 227 N LYS A 18 6.242 -8.107 4.560 1.00 0.00 N ATOM 228 CA LYS A 18 6.002 -8.995 5.684 1.00 0.00 C ATOM 229 C LYS A 18 6.898 -8.583 6.854 1.00 0.00 C ATOM 230 O LYS A 18 6.554 -8.807 8.013 1.00 0.00 O ATOM 231 CB LYS A 18 6.174 -10.455 5.260 1.00 0.00 C ATOM 232 CG LYS A 18 5.484 -10.723 3.922 1.00 0.00 C ATOM 233 CD LYS A 18 4.164 -11.470 4.126 1.00 0.00 C ATOM 234 CE LYS A 18 4.219 -12.860 3.491 1.00 0.00 C ATOM 235 NZ LYS A 18 2.891 -13.238 2.957 1.00 0.00 N ATOM 0 H LYS A 18 6.902 -8.464 3.869 1.00 0.00 H new ATOM 0 HA LYS A 18 4.971 -8.907 6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.235 -10.691 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.758 -11.111 6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.297 -9.779 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.142 -11.309 3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.954 -11.561 5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.346 -10.898 3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.957 -12.871 2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.542 -13.592 4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.607 -14.157 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.192 -12.516 3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.940 -13.307 1.920 1.00 0.00 H new ATOM 244 N GLY A 19 8.032 -7.989 6.509 1.00 0.00 N ATOM 245 CA GLY A 19 8.980 -7.545 7.515 1.00 0.00 C ATOM 246 C GLY A 19 8.520 -6.237 8.163 1.00 0.00 C ATOM 247 O GLY A 19 7.321 -5.988 8.284 1.00 0.00 O ATOM 0 H GLY A 19 8.315 -7.805 5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.091 -8.314 8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.960 -7.404 7.059 1.00 0.00 H new ATOM 251 N CYS A 20 9.497 -5.436 8.563 1.00 0.00 N ATOM 252 CA CYS A 20 9.208 -4.160 9.194 1.00 0.00 C ATOM 253 C CYS A 20 9.080 -3.100 8.098 1.00 0.00 C ATOM 254 O CYS A 20 9.361 -3.371 6.932 1.00 0.00 O ATOM 255 CB CYS A 20 10.272 -3.787 10.228 1.00 0.00 C ATOM 256 SG CYS A 20 9.730 -4.302 11.899 1.00 0.00 S ATOM 0 H CYS A 20 10.490 -5.647 8.462 1.00 0.00 H new ATOM 0 HA CYS A 20 8.269 -4.227 9.744 1.00 0.00 H new ATOM 0 HB2 CYS A 20 11.217 -4.269 9.979 1.00 0.00 H new ATOM 0 HB3 CYS A 20 10.448 -2.711 10.209 1.00 0.00 H new ATOM 0 HG CYS A 20 8.848 -5.252 11.796 1.00 0.00 H new ATOM 261 N ALA A 21 8.655 -1.916 8.513 1.00 0.00 N ATOM 262 CA ALA A 21 8.485 -0.813 7.581 1.00 0.00 C ATOM 263 C ALA A 21 9.858 -0.246 7.215 1.00 0.00 C ATOM 264 O ALA A 21 10.056 0.240 6.102 1.00 0.00 O ATOM 265 CB ALA A 21 7.564 0.241 8.199 1.00 0.00 C ATOM 0 H ALA A 21 8.423 -1.696 9.482 1.00 0.00 H new ATOM 0 HA ALA A 21 8.014 -1.157 6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.437 1.068 7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.593 -0.205 8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.005 0.612 9.124 1.00 0.00 H new ATOM 271 N LEU A 22 10.771 -0.325 8.172 1.00 0.00 N ATOM 272 CA LEU A 22 12.119 0.175 7.965 1.00 0.00 C ATOM 273 C LEU A 22 12.959 -0.905 7.278 1.00 0.00 C ATOM 274 O LEU A 22 13.477 -0.692 6.184 1.00 0.00 O ATOM 275 CB LEU A 22 12.716 0.672 9.282 1.00 0.00 C ATOM 276 CG LEU A 22 12.345 2.100 9.689 1.00 0.00 C ATOM 277 CD1 LEU A 22 12.439 3.052 8.495 1.00 0.00 C ATOM 278 CD2 LEU A 22 10.966 2.143 10.348 1.00 0.00 C ATOM 0 H LEU A 22 10.603 -0.728 9.094 1.00 0.00 H new ATOM 0 HA LEU A 22 12.106 1.040 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.404 -0.004 10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.802 0.605 9.214 1.00 0.00 H new ATOM 0 HG LEU A 22 13.067 2.441 10.431 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.170 4.060 8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.458 3.052 8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.755 2.723 7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.728 3.169 10.627 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.216 1.774 9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.969 1.516 11.240 1.00 0.00 H new ATOM 289 N CYS A 23 13.067 -2.041 7.951 1.00 0.00 N ATOM 290 CA CYS A 23 13.834 -3.155 7.421 1.00 0.00 C ATOM 291 C CYS A 23 12.875 -4.316 7.154 1.00 0.00 C ATOM 292 O CYS A 23 11.700 -4.250 7.511 1.00 0.00 O ATOM 293 CB CYS A 23 14.971 -3.559 8.364 1.00 0.00 C ATOM 294 SG CYS A 23 14.296 -4.464 9.804 1.00 0.00 S ATOM 0 H CYS A 23 12.636 -2.214 8.859 1.00 0.00 H new ATOM 0 HA CYS A 23 14.312 -2.858 6.487 1.00 0.00 H new ATOM 0 HB2 CYS A 23 15.689 -4.185 7.834 1.00 0.00 H new ATOM 0 HB3 CYS A 23 15.508 -2.672 8.700 1.00 0.00 H new ATOM 0 HG CYS A 23 15.268 -4.805 10.597 1.00 0.00 H new ATOM 299 N GLY A 24 13.411 -5.354 6.527 1.00 0.00 N ATOM 300 CA GLY A 24 12.617 -6.527 6.208 1.00 0.00 C ATOM 301 C GLY A 24 13.424 -7.810 6.422 1.00 0.00 C ATOM 302 O GLY A 24 13.919 -8.402 5.465 1.00 0.00 O ATOM 0 H GLY A 24 14.386 -5.406 6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.724 -6.547 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.281 -6.473 5.172 1.00 0.00 H new ATOM 306 N ALA A 25 13.529 -8.200 7.683 1.00 0.00 N ATOM 307 CA ALA A 25 14.267 -9.401 8.035 1.00 0.00 C ATOM 308 C ALA A 25 13.286 -10.479 8.501 1.00 0.00 C ATOM 309 O ALA A 25 13.413 -11.644 8.125 1.00 0.00 O ATOM 310 CB ALA A 25 15.312 -9.066 9.100 1.00 0.00 C ATOM 0 H ALA A 25 13.116 -7.706 8.474 1.00 0.00 H new ATOM 0 HA ALA A 25 14.799 -9.791 7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 25 15.865 -9.968 9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 25 16.002 -8.318 8.710 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.815 -8.673 9.987 1.00 0.00 H new ATOM 316 N THR A 26 12.329 -10.053 9.312 1.00 0.00 N ATOM 317 CA THR A 26 11.327 -10.966 9.833 1.00 0.00 C ATOM 318 C THR A 26 10.120 -11.027 8.895 1.00 0.00 C ATOM 319 O THR A 26 10.087 -10.338 7.877 1.00 0.00 O ATOM 320 CB THR A 26 10.971 -10.519 11.252 1.00 0.00 C ATOM 321 OG1 THR A 26 12.230 -10.431 11.915 1.00 0.00 O ATOM 322 CG2 THR A 26 10.214 -11.595 12.034 1.00 0.00 C ATOM 0 H THR A 26 12.227 -9.086 9.621 1.00 0.00 H new ATOM 0 HA THR A 26 11.711 -11.985 9.884 1.00 0.00 H new ATOM 0 HB THR A 26 10.368 -9.612 11.205 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.092 -10.145 12.842 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.986 -11.226 13.034 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.286 -11.836 11.516 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.830 -12.491 12.110 1.00 0.00 H new ATOM 330 N TRP A 27 9.159 -11.857 9.271 1.00 0.00 N ATOM 331 CA TRP A 27 7.953 -12.016 8.476 1.00 0.00 C ATOM 332 C TRP A 27 6.782 -12.245 9.433 1.00 0.00 C ATOM 333 O TRP A 27 6.986 -12.531 10.612 1.00 0.00 O ATOM 334 CB TRP A 27 8.117 -13.139 7.451 1.00 0.00 C ATOM 335 CG TRP A 27 8.563 -14.474 8.055 1.00 0.00 C ATOM 336 CD1 TRP A 27 9.739 -14.769 8.623 1.00 0.00 C ATOM 337 CD2 TRP A 27 7.785 -15.687 8.128 1.00 0.00 C ATOM 338 NE1 TRP A 27 9.778 -16.079 9.055 1.00 0.00 N ATOM 339 CE2 TRP A 27 8.551 -16.655 8.744 1.00 0.00 C ATOM 340 CE3 TRP A 27 6.479 -15.958 7.686 1.00 0.00 C ATOM 341 CZ2 TRP A 27 8.098 -17.959 8.976 1.00 0.00 C ATOM 342 CZ3 TRP A 27 6.040 -17.265 7.925 1.00 0.00 C ATOM 343 CH2 TRP A 27 6.798 -18.251 8.545 1.00 0.00 C ATOM 0 H TRP A 27 9.191 -12.427 10.116 1.00 0.00 H new ATOM 0 HA TRP A 27 7.754 -11.117 7.893 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.169 -13.285 6.933 1.00 0.00 H new ATOM 0 HB3 TRP A 27 8.846 -12.829 6.702 1.00 0.00 H new ATOM 0 HD1 TRP A 27 10.555 -14.069 8.730 1.00 0.00 H new ATOM 0 HE1 TRP A 27 10.562 -16.540 9.517 1.00 0.00 H new ATOM 0 HE3 TRP A 27 5.863 -15.216 7.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.717 -18.699 9.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 5.042 -17.526 7.605 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.386 -19.238 8.694 1.00 0.00 H new ATOM 353 N GLY A 28 5.581 -12.112 8.890 1.00 0.00 N ATOM 354 CA GLY A 28 4.377 -12.303 9.681 1.00 0.00 C ATOM 355 C GLY A 28 3.141 -11.811 8.925 1.00 0.00 C ATOM 356 O GLY A 28 2.686 -10.688 9.134 1.00 0.00 O ATOM 0 H GLY A 28 5.416 -11.874 7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.262 -13.359 9.925 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.468 -11.765 10.625 1.00 0.00 H new ATOM 360 N ASP A 29 2.633 -12.678 8.060 1.00 0.00 N ATOM 361 CA ASP A 29 1.458 -12.346 7.273 1.00 0.00 C ATOM 362 C ASP A 29 0.210 -12.464 8.150 1.00 0.00 C ATOM 363 O ASP A 29 -0.898 -12.170 7.702 1.00 0.00 O ATOM 364 CB ASP A 29 1.298 -13.307 6.092 1.00 0.00 C ATOM 365 CG ASP A 29 1.504 -14.785 6.428 1.00 0.00 C ATOM 366 OD1 ASP A 29 1.749 -15.148 7.588 1.00 0.00 O ATOM 367 OD2 ASP A 29 1.401 -15.592 5.427 1.00 0.00 O ATOM 0 H ASP A 29 3.014 -13.608 7.888 1.00 0.00 H new ATOM 0 HA ASP A 29 1.579 -11.329 6.899 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.300 -13.181 5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.008 -13.024 5.314 1.00 0.00 H new ATOM 372 N TYR A 30 0.431 -12.895 9.383 1.00 0.00 N ATOM 373 CA TYR A 30 -0.662 -13.055 10.328 1.00 0.00 C ATOM 374 C TYR A 30 -1.394 -11.730 10.548 1.00 0.00 C ATOM 375 O TYR A 30 -2.569 -11.719 10.912 1.00 0.00 O ATOM 376 CB TYR A 30 -0.020 -13.495 11.644 1.00 0.00 C ATOM 377 CG TYR A 30 0.762 -14.806 11.548 1.00 0.00 C ATOM 378 CD1 TYR A 30 0.098 -16.014 11.627 1.00 0.00 C ATOM 379 CD2 TYR A 30 2.132 -14.783 11.382 1.00 0.00 C ATOM 380 CE1 TYR A 30 0.834 -17.248 11.536 1.00 0.00 C ATOM 381 CE2 TYR A 30 2.868 -16.017 11.291 1.00 0.00 C ATOM 382 CZ TYR A 30 2.183 -17.188 11.373 1.00 0.00 C ATOM 383 OH TYR A 30 2.878 -18.354 11.287 1.00 0.00 O ATOM 0 H TYR A 30 1.351 -13.139 9.750 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.389 -13.777 9.956 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.651 -12.708 11.990 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.800 -13.603 12.398 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.974 -16.033 11.757 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.652 -13.839 11.320 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.327 -18.200 11.596 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.940 -16.012 11.161 1.00 0.00 H new ATOM 0 HH TYR A 30 3.831 -18.159 11.171 1.00 0.00 H new ATOM 392 N HIS A 31 -0.669 -10.645 10.319 1.00 0.00 N ATOM 393 CA HIS A 31 -1.235 -9.317 10.488 1.00 0.00 C ATOM 394 C HIS A 31 -1.397 -8.650 9.120 1.00 0.00 C ATOM 395 O HIS A 31 -1.067 -9.241 8.094 1.00 0.00 O ATOM 396 CB HIS A 31 -0.391 -8.486 11.457 1.00 0.00 C ATOM 397 CG HIS A 31 -1.043 -8.261 12.801 1.00 0.00 C ATOM 398 ND1 HIS A 31 -1.151 -7.008 13.380 1.00 0.00 N ATOM 399 CD2 HIS A 31 -1.619 -9.139 13.670 1.00 0.00 C ATOM 400 CE1 HIS A 31 -1.766 -7.139 14.546 1.00 0.00 C ATOM 401 NE2 HIS A 31 -2.054 -8.460 14.725 1.00 0.00 N ATOM 0 H HIS A 31 0.305 -10.658 10.018 1.00 0.00 H new ATOM 0 HA HIS A 31 -2.226 -9.394 10.935 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.567 -8.984 11.608 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.179 -7.519 11.001 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.707 -10.206 13.525 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -1.999 -6.340 15.234 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -2.526 -8.860 15.536 1.00 0.00 H new ATOM 408 N ALA A 32 -1.905 -7.426 9.151 1.00 0.00 N ATOM 409 CA ALA A 32 -2.114 -6.673 7.927 1.00 0.00 C ATOM 410 C ALA A 32 -1.011 -5.622 7.785 1.00 0.00 C ATOM 411 O ALA A 32 -0.237 -5.400 8.715 1.00 0.00 O ATOM 412 CB ALA A 32 -3.512 -6.050 7.944 1.00 0.00 C ATOM 0 H ALA A 32 -2.178 -6.938 10.004 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.059 -7.329 7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.670 -5.485 7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.261 -6.839 8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.602 -5.383 8.801 1.00 0.00 H new ATOM 418 N ASP A 33 -0.973 -5.005 6.613 1.00 0.00 N ATOM 419 CA ASP A 33 0.023 -3.984 6.336 1.00 0.00 C ATOM 420 C ASP A 33 -0.678 -2.649 6.080 1.00 0.00 C ATOM 421 O ASP A 33 -1.865 -2.619 5.761 1.00 0.00 O ATOM 422 CB ASP A 33 0.841 -4.335 5.092 1.00 0.00 C ATOM 423 CG ASP A 33 0.019 -4.572 3.824 1.00 0.00 C ATOM 424 OD1 ASP A 33 -1.221 -4.556 3.854 1.00 0.00 O ATOM 425 OD2 ASP A 33 0.712 -4.782 2.756 1.00 0.00 O ATOM 0 H ASP A 33 -1.616 -5.193 5.844 1.00 0.00 H new ATOM 0 HA ASP A 33 0.687 -3.919 7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.550 -3.529 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.426 -5.231 5.301 1.00 0.00 H new ATOM 430 N PHE A 34 0.086 -1.577 6.231 1.00 0.00 N ATOM 431 CA PHE A 34 -0.448 -0.242 6.020 1.00 0.00 C ATOM 432 C PHE A 34 -0.259 0.200 4.568 1.00 0.00 C ATOM 433 O PHE A 34 0.335 -0.521 3.767 1.00 0.00 O ATOM 434 CB PHE A 34 0.335 0.702 6.935 1.00 0.00 C ATOM 435 CG PHE A 34 0.126 0.438 8.427 1.00 0.00 C ATOM 436 CD1 PHE A 34 -1.121 0.186 8.906 1.00 0.00 C ATOM 437 CD2 PHE A 34 1.190 0.454 9.275 1.00 0.00 C ATOM 438 CE1 PHE A 34 -1.315 -0.058 10.291 1.00 0.00 C ATOM 439 CE2 PHE A 34 0.996 0.209 10.661 1.00 0.00 C ATOM 440 CZ PHE A 34 -0.252 -0.043 11.139 1.00 0.00 C ATOM 0 H PHE A 34 1.070 -1.606 6.497 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.516 -0.228 6.239 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.397 0.615 6.706 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.045 1.729 6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.965 0.171 8.232 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.181 0.653 8.895 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.306 -0.255 10.671 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.840 0.223 11.335 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.399 -0.231 12.192 1.00 0.00 H new ATOM 449 N LEU A 35 -0.774 1.384 4.272 1.00 0.00 N ATOM 450 CA LEU A 35 -0.671 1.932 2.929 1.00 0.00 C ATOM 451 C LEU A 35 0.789 1.879 2.474 1.00 0.00 C ATOM 452 O LEU A 35 1.070 1.873 1.276 1.00 0.00 O ATOM 453 CB LEU A 35 -1.282 3.333 2.874 1.00 0.00 C ATOM 454 CG LEU A 35 -2.430 3.526 1.881 1.00 0.00 C ATOM 455 CD1 LEU A 35 -3.417 4.580 2.382 1.00 0.00 C ATOM 456 CD2 LEU A 35 -1.897 3.857 0.485 1.00 0.00 C ATOM 0 H LEU A 35 -1.264 1.980 4.939 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.247 1.331 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.643 3.590 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.492 4.043 2.628 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.976 2.586 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.223 4.697 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.833 4.264 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.900 5.532 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.733 3.989 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.313 4.776 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.265 3.041 0.134 1.00 0.00 H new ATOM 467 N GLY A 36 1.681 1.840 3.453 1.00 0.00 N ATOM 468 CA GLY A 36 3.105 1.787 3.168 1.00 0.00 C ATOM 469 C GLY A 36 3.569 0.344 2.959 1.00 0.00 C ATOM 470 O GLY A 36 4.767 0.065 2.977 1.00 0.00 O ATOM 0 H GLY A 36 1.445 1.844 4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.323 2.376 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.661 2.236 3.991 1.00 0.00 H new ATOM 474 N GLU A 37 2.596 -0.535 2.767 1.00 0.00 N ATOM 475 CA GLU A 37 2.890 -1.942 2.555 1.00 0.00 C ATOM 476 C GLU A 37 4.025 -2.392 3.477 1.00 0.00 C ATOM 477 O GLU A 37 5.112 -2.731 3.010 1.00 0.00 O ATOM 478 CB GLU A 37 3.232 -2.216 1.089 1.00 0.00 C ATOM 479 CG GLU A 37 4.349 -1.289 0.605 1.00 0.00 C ATOM 480 CD GLU A 37 4.731 -1.601 -0.844 1.00 0.00 C ATOM 481 OE1 GLU A 37 4.361 -0.849 -1.758 1.00 0.00 O ATOM 482 OE2 GLU A 37 5.438 -2.667 -1.004 1.00 0.00 O ATOM 0 H GLU A 37 1.604 -0.300 2.754 1.00 0.00 H new ATOM 0 HA GLU A 37 1.999 -2.520 2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.540 -3.255 0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.344 -2.075 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.025 -0.251 0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.223 -1.400 1.247 1.00 0.00 H new ATOM 488 N ASP A 38 3.734 -2.380 4.770 1.00 0.00 N ATOM 489 CA ASP A 38 4.718 -2.782 5.761 1.00 0.00 C ATOM 490 C ASP A 38 4.010 -3.502 6.911 1.00 0.00 C ATOM 491 O ASP A 38 2.881 -3.161 7.261 1.00 0.00 O ATOM 492 CB ASP A 38 5.444 -1.567 6.341 1.00 0.00 C ATOM 493 CG ASP A 38 4.571 -0.329 6.547 1.00 0.00 C ATOM 494 OD1 ASP A 38 4.628 0.630 5.763 1.00 0.00 O ATOM 495 OD2 ASP A 38 3.797 -0.373 7.577 1.00 0.00 O ATOM 0 H ASP A 38 2.832 -2.099 5.154 1.00 0.00 H new ATOM 0 HA ASP A 38 5.441 -3.435 5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.882 -1.848 7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.269 -1.305 5.678 1.00 0.00 H new ATOM 500 N LEU A 39 4.703 -4.486 7.467 1.00 0.00 N ATOM 501 CA LEU A 39 4.155 -5.256 8.571 1.00 0.00 C ATOM 502 C LEU A 39 4.848 -4.842 9.870 1.00 0.00 C ATOM 503 O LEU A 39 6.068 -4.952 9.989 1.00 0.00 O ATOM 504 CB LEU A 39 4.247 -6.755 8.274 1.00 0.00 C ATOM 505 CG LEU A 39 3.430 -7.670 9.189 1.00 0.00 C ATOM 506 CD1 LEU A 39 4.278 -8.172 10.360 1.00 0.00 C ATOM 507 CD2 LEU A 39 2.154 -6.974 9.664 1.00 0.00 C ATOM 0 H LEU A 39 5.638 -4.767 7.174 1.00 0.00 H new ATOM 0 HA LEU A 39 3.093 -5.043 8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.927 -6.922 7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.293 -7.054 8.334 1.00 0.00 H new ATOM 0 HG LEU A 39 3.125 -8.544 8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.674 -8.820 10.995 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.131 -8.732 9.977 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.633 -7.322 10.943 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.593 -7.647 10.312 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.416 -6.072 10.217 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.543 -6.707 8.802 1.00 0.00 H new ATOM 518 N PHE A 40 4.041 -4.376 10.811 1.00 0.00 N ATOM 519 CA PHE A 40 4.562 -3.945 12.097 1.00 0.00 C ATOM 520 C PHE A 40 4.263 -4.979 13.185 1.00 0.00 C ATOM 521 O PHE A 40 4.858 -4.945 14.260 1.00 0.00 O ATOM 522 CB PHE A 40 3.856 -2.634 12.450 1.00 0.00 C ATOM 523 CG PHE A 40 2.447 -2.818 13.016 1.00 0.00 C ATOM 524 CD1 PHE A 40 1.402 -3.052 12.178 1.00 0.00 C ATOM 525 CD2 PHE A 40 2.240 -2.749 14.358 1.00 0.00 C ATOM 526 CE1 PHE A 40 0.095 -3.224 12.703 1.00 0.00 C ATOM 527 CE2 PHE A 40 0.931 -2.921 14.884 1.00 0.00 C ATOM 528 CZ PHE A 40 -0.113 -3.154 14.045 1.00 0.00 C ATOM 0 H PHE A 40 3.030 -4.287 10.709 1.00 0.00 H new ATOM 0 HA PHE A 40 5.643 -3.822 12.037 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.461 -2.092 13.177 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.799 -2.012 11.557 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.567 -3.107 11.112 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.070 -2.564 15.024 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.734 -3.410 12.037 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.766 -2.867 15.950 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.108 -3.284 14.444 1.00 0.00 H new ATOM 537 N PHE A 41 3.340 -5.876 12.866 1.00 0.00 N ATOM 538 CA PHE A 41 2.954 -6.918 13.801 1.00 0.00 C ATOM 539 C PHE A 41 4.155 -7.789 14.177 1.00 0.00 C ATOM 540 O PHE A 41 4.097 -8.550 15.142 1.00 0.00 O ATOM 541 CB PHE A 41 1.909 -7.786 13.098 1.00 0.00 C ATOM 542 CG PHE A 41 1.388 -8.945 13.950 1.00 0.00 C ATOM 543 CD1 PHE A 41 0.740 -8.692 15.119 1.00 0.00 C ATOM 544 CD2 PHE A 41 1.573 -10.228 13.539 1.00 0.00 C ATOM 545 CE1 PHE A 41 0.257 -9.768 15.910 1.00 0.00 C ATOM 546 CE2 PHE A 41 1.088 -11.303 14.330 1.00 0.00 C ATOM 547 CZ PHE A 41 0.441 -11.050 15.498 1.00 0.00 C ATOM 0 H PHE A 41 2.849 -5.902 11.972 1.00 0.00 H new ATOM 0 HA PHE A 41 2.563 -6.471 14.715 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.068 -7.158 12.804 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.342 -8.188 12.182 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.593 -7.673 15.445 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.088 -10.429 12.612 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.256 -9.568 16.839 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.233 -12.322 14.003 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.073 -11.868 16.099 1.00 0.00 H new ATOM 556 N CYS A 42 5.215 -7.650 13.394 1.00 0.00 N ATOM 557 CA CYS A 42 6.427 -8.414 13.632 1.00 0.00 C ATOM 558 C CYS A 42 7.056 -7.924 14.938 1.00 0.00 C ATOM 559 O CYS A 42 7.226 -8.699 15.878 1.00 0.00 O ATOM 560 CB CYS A 42 7.401 -8.312 12.456 1.00 0.00 C ATOM 561 SG CYS A 42 7.467 -6.587 11.848 1.00 0.00 S ATOM 0 H CYS A 42 5.259 -7.019 12.594 1.00 0.00 H new ATOM 0 HA CYS A 42 6.180 -9.472 13.723 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.395 -8.635 12.767 1.00 0.00 H new ATOM 0 HB3 CYS A 42 7.086 -8.978 11.653 1.00 0.00 H new ATOM 0 HG CYS A 42 6.578 -6.422 10.914 1.00 0.00 H new ATOM 566 N CYS A 43 7.383 -6.641 14.955 1.00 0.00 N ATOM 567 CA CYS A 43 7.989 -6.039 16.130 1.00 0.00 C ATOM 568 C CYS A 43 6.969 -5.089 16.764 1.00 0.00 C ATOM 569 O CYS A 43 6.582 -5.268 17.917 1.00 0.00 O ATOM 570 CB CYS A 43 9.298 -5.325 15.789 1.00 0.00 C ATOM 571 SG CYS A 43 10.557 -6.544 15.261 1.00 0.00 S ATOM 0 H CYS A 43 7.240 -6.001 14.174 1.00 0.00 H new ATOM 0 HA CYS A 43 8.252 -6.818 16.845 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.129 -4.598 14.995 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.657 -4.772 16.657 1.00 0.00 H new ATOM 0 HG CYS A 43 11.664 -5.927 14.972 1.00 0.00 H new ATOM 576 N ASP A 44 6.564 -4.100 15.980 1.00 0.00 N ATOM 577 CA ASP A 44 5.598 -3.122 16.450 1.00 0.00 C ATOM 578 C ASP A 44 6.292 -2.135 17.389 1.00 0.00 C ATOM 579 O ASP A 44 5.632 -1.393 18.115 1.00 0.00 O ATOM 580 CB ASP A 44 4.464 -3.796 17.226 1.00 0.00 C ATOM 581 CG ASP A 44 4.435 -3.487 18.724 1.00 0.00 C ATOM 582 OD1 ASP A 44 3.810 -2.512 19.163 1.00 0.00 O ATOM 583 OD2 ASP A 44 5.099 -4.310 19.463 1.00 0.00 O ATOM 0 H ASP A 44 6.887 -3.955 15.023 1.00 0.00 H new ATOM 0 HA ASP A 44 5.186 -2.611 15.580 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.513 -3.491 16.789 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.544 -4.875 17.094 1.00 0.00 H new ATOM 588 N ILE A 45 7.617 -2.156 17.344 1.00 0.00 N ATOM 589 CA ILE A 45 8.408 -1.272 18.182 1.00 0.00 C ATOM 590 C ILE A 45 8.951 -0.121 17.332 1.00 0.00 C ATOM 591 O ILE A 45 8.625 1.041 17.573 1.00 0.00 O ATOM 592 CB ILE A 45 9.495 -2.060 18.916 1.00 0.00 C ATOM 593 CG1 ILE A 45 8.974 -2.600 20.249 1.00 0.00 C ATOM 594 CG2 ILE A 45 10.759 -1.216 19.092 1.00 0.00 C ATOM 595 CD1 ILE A 45 7.893 -3.658 20.028 1.00 0.00 C ATOM 0 H ILE A 45 8.162 -2.772 16.740 1.00 0.00 H new ATOM 0 HA ILE A 45 7.787 -0.829 18.961 1.00 0.00 H new ATOM 0 HB ILE A 45 9.766 -2.921 18.305 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.798 -3.031 20.818 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.570 -1.781 20.844 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.516 -1.799 19.616 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.140 -0.923 18.114 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.523 -0.324 19.671 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.540 -4.025 20.992 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.060 -3.218 19.480 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.307 -4.487 19.454 1.00 0.00 H new ATOM 606 N CYS A 46 9.768 -0.484 16.355 1.00 0.00 N ATOM 607 CA CYS A 46 10.359 0.503 15.468 1.00 0.00 C ATOM 608 C CYS A 46 9.484 0.612 14.217 1.00 0.00 C ATOM 609 O CYS A 46 9.664 1.516 13.404 1.00 0.00 O ATOM 610 CB CYS A 46 11.808 0.158 15.121 1.00 0.00 C ATOM 611 SG CYS A 46 11.863 -1.371 14.117 1.00 0.00 S ATOM 0 H CYS A 46 10.035 -1.449 16.158 1.00 0.00 H new ATOM 0 HA CYS A 46 10.395 1.470 15.971 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.265 0.981 14.571 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.388 0.024 16.034 1.00 0.00 H new ATOM 0 HG CYS A 46 13.098 -1.654 13.825 1.00 0.00 H new ATOM 616 N ALA A 47 8.553 -0.325 14.103 1.00 0.00 N ATOM 617 CA ALA A 47 7.649 -0.347 12.966 1.00 0.00 C ATOM 618 C ALA A 47 6.307 0.264 13.374 1.00 0.00 C ATOM 619 O ALA A 47 6.061 0.498 14.558 1.00 0.00 O ATOM 620 CB ALA A 47 7.504 -1.782 12.456 1.00 0.00 C ATOM 0 H ALA A 47 8.406 -1.074 14.780 1.00 0.00 H new ATOM 0 HA ALA A 47 8.049 0.252 12.147 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.826 -1.798 11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.480 -2.160 12.151 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.103 -2.412 13.250 1.00 0.00 H new ATOM 626 N ALA A 48 5.473 0.506 12.374 1.00 0.00 N ATOM 627 CA ALA A 48 4.163 1.086 12.614 1.00 0.00 C ATOM 628 C ALA A 48 4.328 2.535 13.078 1.00 0.00 C ATOM 629 O ALA A 48 3.972 2.874 14.205 1.00 0.00 O ATOM 630 CB ALA A 48 3.405 0.231 13.632 1.00 0.00 C ATOM 0 H ALA A 48 5.679 0.311 11.394 1.00 0.00 H new ATOM 0 HA ALA A 48 3.575 1.099 11.696 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.422 0.666 13.812 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.288 -0.780 13.243 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.964 0.198 14.567 1.00 0.00 H new ATOM 636 N GLU A 49 4.867 3.350 12.184 1.00 0.00 N ATOM 637 CA GLU A 49 5.084 4.754 12.488 1.00 0.00 C ATOM 638 C GLU A 49 3.806 5.556 12.234 1.00 0.00 C ATOM 639 O GLU A 49 3.051 5.251 11.312 1.00 0.00 O ATOM 640 CB GLU A 49 6.254 5.317 11.678 1.00 0.00 C ATOM 641 CG GLU A 49 7.256 6.033 12.584 1.00 0.00 C ATOM 642 CD GLU A 49 7.719 5.118 13.720 1.00 0.00 C ATOM 643 OE1 GLU A 49 8.409 4.119 13.469 1.00 0.00 O ATOM 644 OE2 GLU A 49 7.337 5.476 14.899 1.00 0.00 O ATOM 0 H GLU A 49 5.160 3.065 11.249 1.00 0.00 H new ATOM 0 HA GLU A 49 5.341 4.841 13.544 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.754 4.508 11.145 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.879 6.011 10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.117 6.355 11.998 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.799 6.931 12.999 1.00 0.00 H new ATOM 650 N PHE A 50 3.603 6.565 13.068 1.00 0.00 N ATOM 651 CA PHE A 50 2.429 7.412 12.945 1.00 0.00 C ATOM 652 C PHE A 50 2.592 8.413 11.800 1.00 0.00 C ATOM 653 O PHE A 50 1.622 9.039 11.374 1.00 0.00 O ATOM 654 CB PHE A 50 2.291 8.180 14.261 1.00 0.00 C ATOM 655 CG PHE A 50 1.494 7.437 15.335 1.00 0.00 C ATOM 656 CD1 PHE A 50 0.351 6.781 15.001 1.00 0.00 C ATOM 657 CD2 PHE A 50 1.927 7.432 16.624 1.00 0.00 C ATOM 658 CE1 PHE A 50 -0.390 6.092 15.996 1.00 0.00 C ATOM 659 CE2 PHE A 50 1.188 6.743 17.620 1.00 0.00 C ATOM 660 CZ PHE A 50 0.044 6.087 17.285 1.00 0.00 C ATOM 0 H PHE A 50 4.232 6.815 13.831 1.00 0.00 H new ATOM 0 HA PHE A 50 1.551 6.801 12.736 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.286 8.399 14.648 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.809 9.137 14.062 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.007 6.784 13.977 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.835 7.953 16.890 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.298 5.572 15.730 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.533 6.739 18.643 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.519 5.562 18.043 1.00 0.00 H new ATOM 669 N MET A 51 3.826 8.534 11.333 1.00 0.00 N ATOM 670 CA MET A 51 4.130 9.448 10.246 1.00 0.00 C ATOM 671 C MET A 51 3.155 9.258 9.081 1.00 0.00 C ATOM 672 O MET A 51 2.984 10.153 8.256 1.00 0.00 O ATOM 673 CB MET A 51 5.560 9.207 9.759 1.00 0.00 C ATOM 674 CG MET A 51 6.430 10.446 9.982 1.00 0.00 C ATOM 675 SD MET A 51 7.156 10.398 11.612 1.00 0.00 S ATOM 676 CE MET A 51 6.094 11.558 12.457 1.00 0.00 C ATOM 0 H MET A 51 4.628 8.013 11.688 1.00 0.00 H new ATOM 0 HA MET A 51 4.031 10.468 10.617 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.990 8.356 10.288 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.549 8.951 8.699 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.215 10.490 9.227 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.828 11.348 9.869 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.511 11.785 13.438 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.020 12.476 11.873 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.102 11.123 12.576 1.00 0.00 H new ATOM 684 N ASN A 52 2.542 8.084 9.052 1.00 0.00 N ATOM 685 CA ASN A 52 1.588 7.763 8.003 1.00 0.00 C ATOM 686 C ASN A 52 0.199 8.250 8.416 1.00 0.00 C ATOM 687 O ASN A 52 0.006 8.707 9.541 1.00 0.00 O ATOM 688 CB ASN A 52 1.512 6.253 7.770 1.00 0.00 C ATOM 689 CG ASN A 52 2.901 5.616 7.841 1.00 0.00 C ATOM 690 OD1 ASN A 52 3.214 4.844 8.732 1.00 0.00 O ATOM 691 ND2 ASN A 52 3.715 5.982 6.854 1.00 0.00 N ATOM 0 H ASN A 52 2.687 7.343 9.738 1.00 0.00 H new ATOM 0 HA ASN A 52 1.918 8.252 7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.861 5.799 8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.066 6.054 6.795 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.665 5.612 6.812 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.389 6.633 6.139 1.00 0.00 H new ATOM 697 N MET A 53 -0.736 8.133 7.484 1.00 0.00 N ATOM 698 CA MET A 53 -2.103 8.556 7.737 1.00 0.00 C ATOM 699 C MET A 53 -2.900 7.446 8.426 1.00 0.00 C ATOM 700 O MET A 53 -2.537 6.274 8.344 1.00 0.00 O ATOM 701 CB MET A 53 -2.777 8.925 6.415 1.00 0.00 C ATOM 702 CG MET A 53 -4.063 9.718 6.657 1.00 0.00 C ATOM 703 SD MET A 53 -4.176 11.068 5.494 1.00 0.00 S ATOM 704 CE MET A 53 -3.425 12.370 6.457 1.00 0.00 C ATOM 0 H MET A 53 -0.573 7.751 6.552 1.00 0.00 H new ATOM 0 HA MET A 53 -2.080 9.424 8.396 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.092 9.514 5.805 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.005 8.019 5.854 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.929 9.064 6.553 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.076 10.103 7.677 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.414 13.292 5.876 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.999 12.524 7.371 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.403 12.090 6.713 1.00 0.00 H new ATOM 712 N MET A 54 -3.973 7.855 9.088 1.00 0.00 N ATOM 713 CA MET A 54 -4.825 6.911 9.789 1.00 0.00 C ATOM 714 C MET A 54 -5.499 5.947 8.809 1.00 0.00 C ATOM 715 O MET A 54 -5.579 4.748 9.069 1.00 0.00 O ATOM 716 CB MET A 54 -5.895 7.673 10.573 1.00 0.00 C ATOM 717 CG MET A 54 -6.793 8.479 9.633 1.00 0.00 C ATOM 718 SD MET A 54 -7.920 9.488 10.582 1.00 0.00 S ATOM 719 CE MET A 54 -8.036 10.913 9.512 1.00 0.00 C ATOM 0 H MET A 54 -4.271 8.828 9.153 1.00 0.00 H new ATOM 0 HA MET A 54 -4.206 6.330 10.473 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.500 6.971 11.146 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.419 8.342 11.289 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.183 9.110 8.986 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.353 7.805 8.985 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.706 11.648 9.957 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.047 11.354 9.384 1.00 0.00 H new ATOM 0 HE3 MET A 54 -8.425 10.608 8.541 1.00 0.00 H new ATOM 727 N ASP A 55 -5.965 6.509 7.704 1.00 0.00 N ATOM 728 CA ASP A 55 -6.628 5.714 6.684 1.00 0.00 C ATOM 729 C ASP A 55 -5.819 4.442 6.427 1.00 0.00 C ATOM 730 O ASP A 55 -6.388 3.383 6.165 1.00 0.00 O ATOM 731 CB ASP A 55 -6.730 6.485 5.365 1.00 0.00 C ATOM 732 CG ASP A 55 -8.099 7.107 5.083 1.00 0.00 C ATOM 733 OD1 ASP A 55 -9.140 6.446 5.216 1.00 0.00 O ATOM 734 OD2 ASP A 55 -8.071 8.340 4.707 1.00 0.00 O ATOM 0 H ASP A 55 -5.897 7.504 7.492 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.630 5.475 7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.981 7.277 5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.479 5.810 4.547 1.00 0.00 H new ATOM 739 N GLU A 56 -4.505 4.588 6.512 1.00 0.00 N ATOM 740 CA GLU A 56 -3.611 3.463 6.291 1.00 0.00 C ATOM 741 C GLU A 56 -4.119 2.228 7.038 1.00 0.00 C ATOM 742 O GLU A 56 -4.177 1.137 6.473 1.00 0.00 O ATOM 743 CB GLU A 56 -2.182 3.808 6.712 1.00 0.00 C ATOM 744 CG GLU A 56 -1.619 4.947 5.860 1.00 0.00 C ATOM 745 CD GLU A 56 -0.193 4.637 5.402 1.00 0.00 C ATOM 746 OE1 GLU A 56 0.235 5.115 4.340 1.00 0.00 O ATOM 747 OE2 GLU A 56 0.479 3.870 6.192 1.00 0.00 O ATOM 0 H GLU A 56 -4.038 5.468 6.731 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.597 3.239 5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.168 4.095 7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.547 2.927 6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.257 5.105 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.627 5.873 6.434 1.00 0.00 H new ATOM 753 N ALA A 57 -4.476 2.441 8.296 1.00 0.00 N ATOM 754 CA ALA A 57 -4.977 1.359 9.126 1.00 0.00 C ATOM 755 C ALA A 57 -6.307 0.860 8.556 1.00 0.00 C ATOM 756 O ALA A 57 -6.527 -0.347 8.451 1.00 0.00 O ATOM 757 CB ALA A 57 -5.107 1.842 10.571 1.00 0.00 C ATOM 0 H ALA A 57 -4.428 3.348 8.761 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.281 0.520 9.125 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.483 1.030 11.194 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.131 2.159 10.938 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.800 2.682 10.613 1.00 0.00 H new ATOM 763 N PHE A 58 -7.158 1.811 8.204 1.00 0.00 N ATOM 764 CA PHE A 58 -8.459 1.483 7.648 1.00 0.00 C ATOM 765 C PHE A 58 -8.335 0.428 6.548 1.00 0.00 C ATOM 766 O PHE A 58 -9.151 -0.489 6.466 1.00 0.00 O ATOM 767 CB PHE A 58 -9.025 2.770 7.043 1.00 0.00 C ATOM 768 CG PHE A 58 -10.466 3.071 7.458 1.00 0.00 C ATOM 769 CD1 PHE A 58 -11.431 2.126 7.300 1.00 0.00 C ATOM 770 CD2 PHE A 58 -10.783 4.284 7.984 1.00 0.00 C ATOM 771 CE1 PHE A 58 -12.769 2.406 7.684 1.00 0.00 C ATOM 772 CE2 PHE A 58 -12.120 4.565 8.369 1.00 0.00 C ATOM 773 CZ PHE A 58 -13.086 3.619 8.212 1.00 0.00 C ATOM 0 H PHE A 58 -6.972 2.810 8.293 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.106 1.081 8.428 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.391 3.607 7.336 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.978 2.700 5.956 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -11.180 1.162 6.882 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -10.017 5.035 8.109 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -13.535 1.656 7.557 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -12.371 5.529 8.786 1.00 0.00 H new ATOM 0 HZ PHE A 58 -14.103 3.831 8.506 1.00 0.00 H new ATOM 782 N LYS A 59 -7.308 0.591 5.727 1.00 0.00 N ATOM 783 CA LYS A 59 -7.066 -0.336 4.635 1.00 0.00 C ATOM 784 C LYS A 59 -7.215 -1.769 5.147 1.00 0.00 C ATOM 785 O LYS A 59 -7.852 -2.600 4.501 1.00 0.00 O ATOM 786 CB LYS A 59 -5.711 -0.053 3.983 1.00 0.00 C ATOM 787 CG LYS A 59 -4.868 -1.327 3.896 1.00 0.00 C ATOM 788 CD LYS A 59 -5.363 -2.236 2.768 1.00 0.00 C ATOM 789 CE LYS A 59 -5.185 -1.565 1.405 1.00 0.00 C ATOM 790 NZ LYS A 59 -4.192 -2.302 0.591 1.00 0.00 N ATOM 0 H LYS A 59 -6.633 1.353 5.797 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.807 -0.200 3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.862 0.356 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.177 0.702 4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.824 -1.065 3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.912 -1.862 4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.815 -3.178 2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.415 -2.476 2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.141 -1.532 0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.860 -0.534 1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.157 -1.896 -0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.254 -2.225 1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.466 -3.303 0.532 1.00 0.00 H new ATOM 799 N HIS A 60 -6.618 -2.016 6.303 1.00 0.00 N ATOM 800 CA HIS A 60 -6.677 -3.336 6.909 1.00 0.00 C ATOM 801 C HIS A 60 -8.136 -3.770 7.054 1.00 0.00 C ATOM 802 O HIS A 60 -8.522 -4.836 6.579 1.00 0.00 O ATOM 803 CB HIS A 60 -5.917 -3.359 8.237 1.00 0.00 C ATOM 804 CG HIS A 60 -6.334 -4.475 9.164 1.00 0.00 C ATOM 805 ND1 HIS A 60 -6.288 -5.809 8.800 1.00 0.00 N ATOM 806 CD2 HIS A 60 -6.804 -4.441 10.445 1.00 0.00 C ATOM 807 CE1 HIS A 60 -6.715 -6.537 9.822 1.00 0.00 C ATOM 808 NE2 HIS A 60 -7.034 -5.687 10.841 1.00 0.00 N ATOM 0 H HIS A 60 -6.091 -1.325 6.837 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.182 -4.059 6.261 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.850 -3.450 8.032 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.063 -2.405 8.744 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.962 -3.551 11.036 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.796 -7.614 9.844 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.390 -5.963 11.756 1.00 0.00 H new ATOM 815 N THR A 61 -8.910 -2.919 7.714 1.00 0.00 N ATOM 816 CA THR A 61 -10.320 -3.202 7.928 1.00 0.00 C ATOM 817 C THR A 61 -11.065 -3.234 6.592 1.00 0.00 C ATOM 818 O THR A 61 -11.993 -4.022 6.414 1.00 0.00 O ATOM 819 CB THR A 61 -10.867 -2.159 8.904 1.00 0.00 C ATOM 820 OG1 THR A 61 -10.232 -2.473 10.140 1.00 0.00 O ATOM 821 CG2 THR A 61 -12.357 -2.352 9.192 1.00 0.00 C ATOM 0 H THR A 61 -8.588 -2.035 8.107 1.00 0.00 H new ATOM 0 HA THR A 61 -10.464 -4.188 8.369 1.00 0.00 H new ATOM 0 HB THR A 61 -10.701 -1.161 8.499 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.529 -1.843 10.830 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.695 -1.586 9.890 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.921 -2.270 8.263 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.518 -3.338 9.629 1.00 0.00 H new ATOM 829 N ALA A 62 -10.631 -2.369 5.687 1.00 0.00 N ATOM 830 CA ALA A 62 -11.246 -2.289 4.373 1.00 0.00 C ATOM 831 C ALA A 62 -11.077 -3.628 3.653 1.00 0.00 C ATOM 832 O ALA A 62 -12.053 -4.215 3.187 1.00 0.00 O ATOM 833 CB ALA A 62 -10.634 -1.124 3.593 1.00 0.00 C ATOM 0 H ALA A 62 -9.861 -1.717 5.838 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.315 -2.096 4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.095 -1.064 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.809 -0.193 4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.561 -1.284 3.483 1.00 0.00 H new ATOM 839 N ARG A 63 -9.830 -4.072 3.584 1.00 0.00 N ATOM 840 CA ARG A 63 -9.520 -5.331 2.928 1.00 0.00 C ATOM 841 C ARG A 63 -9.941 -6.508 3.811 1.00 0.00 C ATOM 842 O ARG A 63 -9.598 -7.655 3.528 1.00 0.00 O ATOM 843 CB ARG A 63 -8.024 -5.439 2.624 1.00 0.00 C ATOM 844 CG ARG A 63 -7.299 -6.228 3.716 1.00 0.00 C ATOM 845 CD ARG A 63 -5.817 -5.853 3.771 1.00 0.00 C ATOM 846 NE ARG A 63 -5.046 -6.694 2.829 1.00 0.00 N ATOM 847 CZ ARG A 63 -4.623 -7.946 3.104 1.00 0.00 C ATOM 848 NH1 ARG A 63 -4.896 -8.515 4.299 1.00 0.00 N ATOM 849 NH2 ARG A 63 -3.941 -8.607 2.188 1.00 0.00 N ATOM 0 H ARG A 63 -9.023 -3.583 3.971 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.073 -5.361 1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.879 -5.927 1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.592 -4.441 2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.764 -6.030 4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.401 -7.296 3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.690 -4.800 3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.437 -5.986 4.784 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.820 -6.303 1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.425 -7.998 5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.573 -9.462 4.499 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.741 -8.171 1.288 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.614 -9.554 2.380 1.00 0.00 H new ATOM 859 N HIS A 64 -10.677 -6.182 4.863 1.00 0.00 N ATOM 860 CA HIS A 64 -11.148 -7.198 5.790 1.00 0.00 C ATOM 861 C HIS A 64 -12.300 -7.979 5.153 1.00 0.00 C ATOM 862 O HIS A 64 -12.199 -9.188 4.955 1.00 0.00 O ATOM 863 CB HIS A 64 -11.527 -6.573 7.134 1.00 0.00 C ATOM 864 CG HIS A 64 -11.512 -7.545 8.289 1.00 0.00 C ATOM 865 ND1 HIS A 64 -10.719 -8.680 8.304 1.00 0.00 N ATOM 866 CD2 HIS A 64 -12.199 -7.541 9.468 1.00 0.00 C ATOM 867 CE1 HIS A 64 -10.929 -9.322 9.443 1.00 0.00 C ATOM 868 NE2 HIS A 64 -11.846 -8.615 10.164 1.00 0.00 N ATOM 0 H HIS A 64 -10.959 -5.229 5.094 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.346 -7.906 5.998 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.838 -5.757 7.351 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -12.523 -6.137 7.052 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -12.910 -6.791 9.782 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.457 -10.244 9.748 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -12.202 -8.869 11.086 1.00 0.00 H new ATOM 875 N ASN A 65 -13.368 -7.255 4.850 1.00 0.00 N ATOM 876 CA ASN A 65 -14.536 -7.865 4.239 1.00 0.00 C ATOM 877 C ASN A 65 -14.706 -7.323 2.819 1.00 0.00 C ATOM 878 O ASN A 65 -14.791 -8.093 1.863 1.00 0.00 O ATOM 879 CB ASN A 65 -15.806 -7.531 5.027 1.00 0.00 C ATOM 880 CG ASN A 65 -15.625 -6.249 5.841 1.00 0.00 C ATOM 881 OD1 ASN A 65 -16.022 -5.148 5.211 1.00 0.00 O flip ATOM 882 ND2 ASN A 65 -15.155 -6.258 6.967 1.00 0.00 N flip ATOM 0 H ASN A 65 -13.448 -6.252 5.016 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.388 -8.945 4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.644 -7.415 4.340 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.053 -8.357 5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.870 -7.140 7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.048 -5.384 7.482 1.00 0.00 H new ATOM 888 N VAL A 66 -14.748 -6.002 2.725 1.00 0.00 N ATOM 889 CA VAL A 66 -14.905 -5.349 1.436 1.00 0.00 C ATOM 890 C VAL A 66 -13.527 -4.969 0.890 1.00 0.00 C ATOM 891 O VAL A 66 -12.512 -5.504 1.332 1.00 0.00 O ATOM 892 CB VAL A 66 -15.847 -4.149 1.569 1.00 0.00 C ATOM 893 CG1 VAL A 66 -15.066 -2.872 1.883 1.00 0.00 C ATOM 894 CG2 VAL A 66 -16.697 -3.978 0.309 1.00 0.00 C ATOM 0 H VAL A 66 -14.676 -5.366 3.520 1.00 0.00 H new ATOM 0 HA VAL A 66 -15.363 -6.028 0.717 1.00 0.00 H new ATOM 0 HB VAL A 66 -16.521 -4.342 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.758 -2.035 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.525 -2.998 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -14.357 -2.672 1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -17.357 -3.119 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -16.046 -3.818 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -17.295 -4.875 0.149 1.00 0.00 H new ATOM 904 N ASP A 67 -13.537 -4.049 -0.063 1.00 0.00 N ATOM 905 CA ASP A 67 -12.301 -3.592 -0.675 1.00 0.00 C ATOM 906 C ASP A 67 -12.339 -2.069 -0.816 1.00 0.00 C ATOM 907 O ASP A 67 -13.362 -1.503 -1.198 1.00 0.00 O ATOM 908 CB ASP A 67 -12.122 -4.192 -2.071 1.00 0.00 C ATOM 909 CG ASP A 67 -13.040 -3.609 -3.147 1.00 0.00 C ATOM 910 OD1 ASP A 67 -14.155 -4.103 -3.371 1.00 0.00 O ATOM 911 OD2 ASP A 67 -12.561 -2.590 -3.779 1.00 0.00 O ATOM 0 H ASP A 67 -14.382 -3.608 -0.427 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.474 -3.907 -0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.087 -4.050 -2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.292 -5.267 -2.013 1.00 0.00 H new ATOM 916 N GLU A 68 -11.212 -1.448 -0.499 1.00 0.00 N ATOM 917 CA GLU A 68 -11.104 -0.003 -0.586 1.00 0.00 C ATOM 918 C GLU A 68 -9.696 0.400 -1.031 1.00 0.00 C ATOM 919 O GLU A 68 -8.711 -0.196 -0.597 1.00 0.00 O ATOM 920 CB GLU A 68 -11.466 0.655 0.747 1.00 0.00 C ATOM 921 CG GLU A 68 -12.984 0.764 0.911 1.00 0.00 C ATOM 922 CD GLU A 68 -13.608 1.525 -0.261 1.00 0.00 C ATOM 923 OE1 GLU A 68 -13.037 2.522 -0.728 1.00 0.00 O ATOM 924 OE2 GLU A 68 -14.726 1.045 -0.689 1.00 0.00 O ATOM 0 H GLU A 68 -10.366 -1.920 -0.181 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.815 0.350 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.049 0.073 1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.019 1.648 0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.419 -0.233 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.217 1.274 1.846 1.00 0.00 H new ATOM 930 N LEU A 69 -9.646 1.406 -1.891 1.00 0.00 N ATOM 931 CA LEU A 69 -8.376 1.894 -2.399 1.00 0.00 C ATOM 932 C LEU A 69 -8.368 3.424 -2.357 1.00 0.00 C ATOM 933 O LEU A 69 -9.303 4.066 -2.832 1.00 0.00 O ATOM 934 CB LEU A 69 -8.096 1.315 -3.787 1.00 0.00 C ATOM 935 CG LEU A 69 -8.921 1.900 -4.935 1.00 0.00 C ATOM 936 CD1 LEU A 69 -8.206 1.712 -6.276 1.00 0.00 C ATOM 937 CD2 LEU A 69 -10.333 1.310 -4.952 1.00 0.00 C ATOM 0 H LEU A 69 -10.465 1.897 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.557 1.554 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.040 1.461 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.269 0.239 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.022 2.973 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.814 2.137 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.240 2.217 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.054 0.649 -6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.898 1.743 -5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.274 0.229 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.834 1.537 -4.011 1.00 0.00 H new ATOM 948 N HIS A 70 -7.302 3.962 -1.784 1.00 0.00 N ATOM 949 CA HIS A 70 -7.160 5.404 -1.674 1.00 0.00 C ATOM 950 C HIS A 70 -5.686 5.788 -1.825 1.00 0.00 C ATOM 951 O HIS A 70 -4.806 5.102 -1.306 1.00 0.00 O ATOM 952 CB HIS A 70 -7.775 5.912 -0.369 1.00 0.00 C ATOM 953 CG HIS A 70 -7.776 4.894 0.747 1.00 0.00 C ATOM 954 ND1 HIS A 70 -6.645 4.190 1.120 1.00 0.00 N ATOM 955 CD2 HIS A 70 -8.780 4.472 1.568 1.00 0.00 C ATOM 956 CE1 HIS A 70 -6.966 3.381 2.119 1.00 0.00 C ATOM 957 NE2 HIS A 70 -8.290 3.557 2.394 1.00 0.00 N ATOM 0 H HIS A 70 -6.528 3.426 -1.391 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.710 5.890 -2.480 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.227 6.795 -0.041 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.801 6.226 -0.561 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.801 4.823 1.549 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.297 2.702 2.626 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.817 3.066 3.116 1.00 0.00 H new ATOM 964 N ILE A 71 -5.463 6.883 -2.535 1.00 0.00 N ATOM 965 CA ILE A 71 -4.111 7.366 -2.761 1.00 0.00 C ATOM 966 C ILE A 71 -4.072 8.880 -2.537 1.00 0.00 C ATOM 967 O ILE A 71 -4.898 9.613 -3.077 1.00 0.00 O ATOM 968 CB ILE A 71 -3.612 6.936 -4.141 1.00 0.00 C ATOM 969 CG1 ILE A 71 -3.618 8.113 -5.119 1.00 0.00 C ATOM 970 CG2 ILE A 71 -4.417 5.748 -4.670 1.00 0.00 C ATOM 971 CD1 ILE A 71 -5.049 8.518 -5.480 1.00 0.00 C ATOM 0 H ILE A 71 -6.196 7.450 -2.962 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.422 6.919 -2.045 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.578 6.606 -4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.097 8.962 -4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.074 7.842 -6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.041 5.463 -5.653 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.317 4.906 -3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.468 6.027 -4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.025 9.356 -6.176 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.560 7.675 -5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.583 8.812 -4.576 1.00 0.00 H new ATOM 982 N ASP A 72 -3.102 9.302 -1.740 1.00 0.00 N ATOM 983 CA ASP A 72 -2.944 10.714 -1.437 1.00 0.00 C ATOM 984 C ASP A 72 -1.454 11.040 -1.307 1.00 0.00 C ATOM 985 O ASP A 72 -0.691 10.257 -0.742 1.00 0.00 O ATOM 986 CB ASP A 72 -3.623 11.074 -0.114 1.00 0.00 C ATOM 987 CG ASP A 72 -5.123 11.355 -0.214 1.00 0.00 C ATOM 988 OD1 ASP A 72 -5.782 10.973 -1.193 1.00 0.00 O ATOM 989 OD2 ASP A 72 -5.625 12.005 0.782 1.00 0.00 O ATOM 0 H ASP A 72 -2.417 8.691 -1.295 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.403 11.285 -2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.468 10.257 0.591 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.131 11.953 0.303 1.00 0.00 H new ATOM 994 N GLY A 73 -1.085 12.195 -1.839 1.00 0.00 N ATOM 995 CA GLY A 73 0.300 12.633 -1.790 1.00 0.00 C ATOM 996 C GLY A 73 0.395 14.106 -1.386 1.00 0.00 C ATOM 997 O GLY A 73 -0.318 14.950 -1.927 1.00 0.00 O ATOM 0 H GLY A 73 -1.721 12.842 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.854 12.021 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.766 12.489 -2.765 1.00 0.00 H new ATOM 1001 N ASN A 74 1.281 14.370 -0.437 1.00 0.00 N ATOM 1002 CA ASN A 74 1.478 15.726 0.046 1.00 0.00 C ATOM 1003 C ASN A 74 2.961 15.942 0.356 1.00 0.00 C ATOM 1004 O ASN A 74 3.613 15.069 0.926 1.00 0.00 O ATOM 1005 CB ASN A 74 0.686 15.973 1.332 1.00 0.00 C ATOM 1006 CG ASN A 74 -0.025 17.328 1.286 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -1.003 17.521 0.584 1.00 0.00 O ATOM 1008 ND2 ASN A 74 0.521 18.252 2.073 1.00 0.00 N ATOM 0 H ASN A 74 1.870 13.668 0.010 1.00 0.00 H new ATOM 0 HA ASN A 74 1.134 16.413 -0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.047 15.178 1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.358 15.940 2.189 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.120 19.189 2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.340 18.023 2.636 1.00 0.00 H new ATOM 1014 N TYR A 75 3.450 17.110 -0.034 1.00 0.00 N ATOM 1015 CA TYR A 75 4.844 17.452 0.194 1.00 0.00 C ATOM 1016 C TYR A 75 5.165 17.472 1.691 1.00 0.00 C ATOM 1017 O TYR A 75 6.332 17.516 2.078 1.00 0.00 O ATOM 1018 CB TYR A 75 5.031 18.859 -0.375 1.00 0.00 C ATOM 1019 CG TYR A 75 3.960 19.857 0.067 1.00 0.00 C ATOM 1020 CD1 TYR A 75 3.815 20.169 1.404 1.00 0.00 C ATOM 1021 CD2 TYR A 75 3.137 20.447 -0.871 1.00 0.00 C ATOM 1022 CE1 TYR A 75 2.806 21.108 1.819 1.00 0.00 C ATOM 1023 CE2 TYR A 75 2.128 21.386 -0.456 1.00 0.00 C ATOM 1024 CZ TYR A 75 2.012 21.671 0.869 1.00 0.00 C ATOM 1025 OH TYR A 75 1.059 22.558 1.262 1.00 0.00 O ATOM 0 H TYR A 75 2.906 17.832 -0.507 1.00 0.00 H new ATOM 0 HA TYR A 75 5.501 16.721 -0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.009 19.234 -0.074 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.033 18.802 -1.464 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.459 19.708 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.250 20.204 -1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.682 21.360 2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.478 21.854 -1.180 1.00 0.00 H new ATOM 0 HH TYR A 75 0.568 22.880 0.477 1.00 0.00 H new ATOM 1034 N GLN A 76 4.109 17.440 2.491 1.00 0.00 N ATOM 1035 CA GLN A 76 4.264 17.455 3.934 1.00 0.00 C ATOM 1036 C GLN A 76 3.950 16.075 4.516 1.00 0.00 C ATOM 1037 O GLN A 76 4.168 15.833 5.702 1.00 0.00 O ATOM 1038 CB GLN A 76 3.382 18.531 4.570 1.00 0.00 C ATOM 1039 CG GLN A 76 4.223 19.528 5.371 1.00 0.00 C ATOM 1040 CD GLN A 76 3.444 20.819 5.630 1.00 0.00 C ATOM 1041 OE1 GLN A 76 3.737 21.870 5.083 1.00 0.00 O ATOM 1042 NE2 GLN A 76 2.441 20.682 6.491 1.00 0.00 N ATOM 0 H GLN A 76 3.143 17.404 2.166 1.00 0.00 H new ATOM 0 HA GLN A 76 5.301 17.699 4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.829 19.058 3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.646 18.063 5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.518 19.080 6.320 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.140 19.755 4.827 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.251 19.773 6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.861 21.486 6.731 1.00 0.00 H new ATOM 1049 N LEU A 77 3.443 15.207 3.655 1.00 0.00 N ATOM 1050 CA LEU A 77 3.096 13.857 4.068 1.00 0.00 C ATOM 1051 C LEU A 77 4.313 13.199 4.720 1.00 0.00 C ATOM 1052 O LEU A 77 4.190 12.543 5.752 1.00 0.00 O ATOM 1053 CB LEU A 77 2.527 13.065 2.889 1.00 0.00 C ATOM 1054 CG LEU A 77 1.308 12.193 3.193 1.00 0.00 C ATOM 1055 CD1 LEU A 77 0.077 13.053 3.486 1.00 0.00 C ATOM 1056 CD2 LEU A 77 1.052 11.194 2.062 1.00 0.00 C ATOM 0 H LEU A 77 3.264 15.411 2.672 1.00 0.00 H new ATOM 0 HA LEU A 77 2.305 13.880 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.258 13.768 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.316 12.426 2.492 1.00 0.00 H new ATOM 0 HG LEU A 77 1.519 11.615 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.775 12.408 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.275 13.689 4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.147 13.675 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.180 10.587 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.872 11.735 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.922 10.548 1.943 1.00 0.00 H new ATOM 1067 N GLY A 78 5.462 13.399 4.090 1.00 0.00 N ATOM 1068 CA GLY A 78 6.702 12.834 4.596 1.00 0.00 C ATOM 1069 C GLY A 78 7.664 12.511 3.452 1.00 0.00 C ATOM 1070 O GLY A 78 8.866 12.365 3.670 1.00 0.00 O ATOM 0 H GLY A 78 5.560 13.944 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.172 13.537 5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.488 11.928 5.163 1.00 0.00 H new ATOM 1074 N ARG A 79 7.101 12.411 2.257 1.00 0.00 N ATOM 1075 CA ARG A 79 7.895 12.108 1.078 1.00 0.00 C ATOM 1076 C ARG A 79 8.044 10.595 0.913 1.00 0.00 C ATOM 1077 O ARG A 79 9.157 10.088 0.783 1.00 0.00 O ATOM 1078 CB ARG A 79 9.283 12.743 1.171 1.00 0.00 C ATOM 1079 CG ARG A 79 9.877 12.971 -0.220 1.00 0.00 C ATOM 1080 CD ARG A 79 11.394 12.772 -0.208 1.00 0.00 C ATOM 1081 NE ARG A 79 11.893 12.605 -1.591 1.00 0.00 N ATOM 1082 CZ ARG A 79 11.629 11.531 -2.366 1.00 0.00 C ATOM 1083 NH1 ARG A 79 10.867 10.520 -1.899 1.00 0.00 N ATOM 1084 NH2 ARG A 79 12.129 11.486 -3.587 1.00 0.00 N ATOM 0 H ARG A 79 6.104 12.534 2.080 1.00 0.00 H new ATOM 0 HA ARG A 79 7.376 12.522 0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.217 13.693 1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.943 12.098 1.751 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.422 12.282 -0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.642 13.980 -0.559 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.878 13.629 0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.650 11.896 0.388 1.00 0.00 H new ATOM 0 HE ARG A 79 12.472 13.347 -1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.486 10.563 -0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.672 9.712 -2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.704 12.255 -3.931 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.940 10.683 -4.186 1.00 0.00 H new ATOM 1094 N ASN A 80 6.906 9.916 0.923 1.00 0.00 N ATOM 1095 CA ASN A 80 6.897 8.470 0.777 1.00 0.00 C ATOM 1096 C ASN A 80 6.077 8.092 -0.459 1.00 0.00 C ATOM 1097 O ASN A 80 4.890 8.404 -0.540 1.00 0.00 O ATOM 1098 CB ASN A 80 6.256 7.797 1.992 1.00 0.00 C ATOM 1099 CG ASN A 80 6.962 6.481 2.326 1.00 0.00 C ATOM 1100 OD1 ASN A 80 7.892 6.059 1.658 1.00 0.00 O ATOM 1101 ND2 ASN A 80 6.473 5.862 3.396 1.00 0.00 N ATOM 0 H ASN A 80 5.984 10.340 1.030 1.00 0.00 H new ATOM 0 HA ASN A 80 7.930 8.135 0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.303 8.467 2.850 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.201 7.608 1.793 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.878 4.978 3.703 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.693 6.271 3.910 1.00 0.00 H new ATOM 1107 N VAL A 81 6.743 7.427 -1.391 1.00 0.00 N ATOM 1108 CA VAL A 81 6.092 7.005 -2.620 1.00 0.00 C ATOM 1109 C VAL A 81 6.053 5.476 -2.671 1.00 0.00 C ATOM 1110 O VAL A 81 7.087 4.831 -2.837 1.00 0.00 O ATOM 1111 CB VAL A 81 6.796 7.627 -3.827 1.00 0.00 C ATOM 1112 CG1 VAL A 81 8.312 7.443 -3.731 1.00 0.00 C ATOM 1113 CG2 VAL A 81 6.255 7.047 -5.136 1.00 0.00 C ATOM 0 H VAL A 81 7.727 7.170 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 81 5.061 7.358 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 81 6.587 8.697 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.789 7.894 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.680 7.924 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.548 6.379 -3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.772 7.506 -5.979 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.420 5.970 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.187 7.252 -5.211 1.00 0.00 H new ATOM 1123 N LEU A 82 4.850 4.941 -2.527 1.00 0.00 N ATOM 1124 CA LEU A 82 4.662 3.500 -2.555 1.00 0.00 C ATOM 1125 C LEU A 82 3.735 3.134 -3.715 1.00 0.00 C ATOM 1126 O LEU A 82 2.590 3.579 -3.763 1.00 0.00 O ATOM 1127 CB LEU A 82 4.175 2.997 -1.195 1.00 0.00 C ATOM 1128 CG LEU A 82 5.265 2.644 -0.180 1.00 0.00 C ATOM 1129 CD1 LEU A 82 6.073 1.431 -0.643 1.00 0.00 C ATOM 1130 CD2 LEU A 82 6.159 3.853 0.107 1.00 0.00 C ATOM 0 H LEU A 82 3.995 5.480 -2.390 1.00 0.00 H new ATOM 0 HA LEU A 82 5.611 2.995 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.532 3.760 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.557 2.114 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 82 4.783 2.370 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.841 1.201 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.410 0.573 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.545 1.652 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.925 3.575 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.635 4.181 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.554 4.665 0.512 1.00 0.00 H new ATOM 1141 N LEU A 83 4.265 2.324 -4.621 1.00 0.00 N ATOM 1142 CA LEU A 83 3.498 1.892 -5.778 1.00 0.00 C ATOM 1143 C LEU A 83 3.279 0.380 -5.701 1.00 0.00 C ATOM 1144 O LEU A 83 4.218 -0.397 -5.863 1.00 0.00 O ATOM 1145 CB LEU A 83 4.177 2.351 -7.071 1.00 0.00 C ATOM 1146 CG LEU A 83 3.472 1.961 -8.371 1.00 0.00 C ATOM 1147 CD1 LEU A 83 2.093 2.617 -8.467 1.00 0.00 C ATOM 1148 CD2 LEU A 83 4.345 2.283 -9.586 1.00 0.00 C ATOM 0 H LEU A 83 5.215 1.956 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 83 2.513 2.358 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.272 3.437 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.188 1.943 -7.092 1.00 0.00 H new ATOM 0 HG LEU A 83 3.315 0.882 -8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.614 2.323 -9.401 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.478 2.295 -7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.203 3.701 -8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.820 1.996 -10.497 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.555 3.352 -9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.282 1.730 -9.517 1.00 0.00 H new ATOM 1159 N LYS A 84 2.030 0.008 -5.456 1.00 0.00 N ATOM 1160 CA LYS A 84 1.674 -1.398 -5.357 1.00 0.00 C ATOM 1161 C LYS A 84 0.554 -1.707 -6.353 1.00 0.00 C ATOM 1162 O LYS A 84 -0.526 -1.124 -6.277 1.00 0.00 O ATOM 1163 CB LYS A 84 1.331 -1.763 -3.912 1.00 0.00 C ATOM 1164 CG LYS A 84 1.788 -3.185 -3.582 1.00 0.00 C ATOM 1165 CD LYS A 84 1.912 -3.385 -2.071 1.00 0.00 C ATOM 1166 CE LYS A 84 1.425 -4.776 -1.659 1.00 0.00 C ATOM 1167 NZ LYS A 84 -0.010 -4.737 -1.300 1.00 0.00 N ATOM 0 H LYS A 84 1.253 0.655 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 84 2.523 -2.026 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.808 -1.057 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.255 -1.678 -3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.077 -3.903 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.748 -3.382 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.951 -3.255 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.331 -2.624 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.583 -5.480 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.008 -5.136 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.325 -5.689 -1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.151 -4.081 -0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.564 -4.414 -2.119 1.00 0.00 H new ATOM 1176 N ASN A 85 0.851 -2.623 -7.263 1.00 0.00 N ATOM 1177 CA ASN A 85 -0.117 -3.017 -8.272 1.00 0.00 C ATOM 1178 C ASN A 85 -0.499 -4.483 -8.061 1.00 0.00 C ATOM 1179 O ASN A 85 0.311 -5.379 -8.294 1.00 0.00 O ATOM 1180 CB ASN A 85 0.465 -2.877 -9.679 1.00 0.00 C ATOM 1181 CG ASN A 85 -0.104 -1.648 -10.390 1.00 0.00 C ATOM 1182 OD1 ASN A 85 0.581 -0.670 -10.638 1.00 0.00 O ATOM 1183 ND2 ASN A 85 -1.393 -1.753 -10.701 1.00 0.00 N ATOM 0 H ASN A 85 1.749 -3.104 -7.322 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.987 -2.367 -8.176 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.551 -2.797 -9.621 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.242 -3.772 -10.259 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.867 -0.985 -11.177 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -1.907 -2.601 -10.464 1.00 0.00 H new ATOM 1189 N GLY A 86 -1.734 -4.683 -7.623 1.00 0.00 N ATOM 1190 CA GLY A 86 -2.232 -6.026 -7.378 1.00 0.00 C ATOM 1191 C GLY A 86 -3.444 -6.330 -8.262 1.00 0.00 C ATOM 1192 O GLY A 86 -4.464 -5.648 -8.179 1.00 0.00 O ATOM 0 H GLY A 86 -2.404 -3.938 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.443 -6.752 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.507 -6.130 -6.328 1.00 0.00 H new ATOM 1196 N GLU A 87 -3.291 -7.354 -9.089 1.00 0.00 N ATOM 1197 CA GLU A 87 -4.358 -7.757 -9.987 1.00 0.00 C ATOM 1198 C GLU A 87 -4.831 -9.172 -9.649 1.00 0.00 C ATOM 1199 O GLU A 87 -4.064 -10.129 -9.756 1.00 0.00 O ATOM 1200 CB GLU A 87 -3.912 -7.662 -11.447 1.00 0.00 C ATOM 1201 CG GLU A 87 -4.771 -6.658 -12.219 1.00 0.00 C ATOM 1202 CD GLU A 87 -3.902 -5.753 -13.096 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -4.163 -4.545 -13.188 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -2.925 -6.348 -13.694 1.00 0.00 O ATOM 0 H GLU A 87 -2.443 -7.917 -9.155 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.196 -7.073 -9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.865 -7.361 -11.492 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.982 -8.643 -11.917 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.490 -7.191 -12.841 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.344 -6.050 -11.519 1.00 0.00 H new ATOM 1210 N ASP A 88 -6.091 -9.262 -9.249 1.00 0.00 N ATOM 1211 CA ASP A 88 -6.674 -10.545 -8.894 1.00 0.00 C ATOM 1212 C ASP A 88 -8.177 -10.513 -9.182 1.00 0.00 C ATOM 1213 O ASP A 88 -8.909 -9.724 -8.586 1.00 0.00 O ATOM 1214 CB ASP A 88 -6.483 -10.845 -7.406 1.00 0.00 C ATOM 1215 CG ASP A 88 -6.251 -12.319 -7.069 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -5.129 -12.730 -6.738 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -7.297 -13.069 -7.157 1.00 0.00 O ATOM 0 H ASP A 88 -6.725 -8.467 -9.163 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.177 -11.316 -9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.635 -10.266 -7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.363 -10.498 -6.865 1.00 0.00 H new ATOM 1222 N ARG A 89 -8.592 -11.381 -10.093 1.00 0.00 N ATOM 1223 CA ARG A 89 -9.993 -11.462 -10.465 1.00 0.00 C ATOM 1224 C ARG A 89 -10.414 -12.923 -10.635 1.00 0.00 C ATOM 1225 O ARG A 89 -9.702 -13.709 -11.258 1.00 0.00 O ATOM 1226 CB ARG A 89 -10.262 -10.706 -11.768 1.00 0.00 C ATOM 1227 CG ARG A 89 -10.963 -9.374 -11.495 1.00 0.00 C ATOM 1228 CD ARG A 89 -12.368 -9.599 -10.932 1.00 0.00 C ATOM 1229 NE ARG A 89 -12.876 -8.348 -10.326 1.00 0.00 N ATOM 1230 CZ ARG A 89 -12.353 -7.776 -9.221 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -11.299 -8.338 -8.592 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -12.887 -6.657 -8.765 1.00 0.00 N ATOM 0 H ARG A 89 -7.982 -12.034 -10.584 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.575 -11.003 -9.665 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.322 -10.526 -12.289 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.879 -11.317 -12.426 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -10.374 -8.787 -10.790 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -11.025 -8.796 -12.417 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.039 -9.927 -11.726 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.347 -10.392 -10.185 1.00 0.00 H new ATOM 0 HE ARG A 89 -13.671 -7.889 -10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.892 -9.201 -8.951 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.910 -7.899 -7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.683 -6.238 -9.247 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.504 -6.212 -7.931 1.00 0.00 H new ATOM 1242 N LEU A 90 -11.569 -13.243 -10.070 1.00 0.00 N ATOM 1243 CA LEU A 90 -12.092 -14.596 -10.150 1.00 0.00 C ATOM 1244 C LEU A 90 -13.442 -14.573 -10.869 1.00 0.00 C ATOM 1245 O LEU A 90 -14.102 -13.537 -10.926 1.00 0.00 O ATOM 1246 CB LEU A 90 -12.144 -15.234 -8.761 1.00 0.00 C ATOM 1247 CG LEU A 90 -10.807 -15.709 -8.190 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -10.681 -15.342 -6.710 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -10.610 -17.208 -8.427 1.00 0.00 C ATOM 0 H LEU A 90 -12.157 -12.588 -9.555 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.427 -15.228 -10.739 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.577 -14.513 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -12.823 -16.086 -8.800 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.007 -15.191 -8.720 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.721 -15.691 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.744 -14.260 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.488 -15.813 -6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.652 -17.519 -8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.413 -17.762 -7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.624 -17.412 -9.498 1.00 0.00 H new ATOM 1260 N ARG A 91 -13.815 -15.730 -11.398 1.00 0.00 N ATOM 1261 CA ARG A 91 -15.076 -15.855 -12.109 1.00 0.00 C ATOM 1262 C ARG A 91 -16.248 -15.789 -11.129 1.00 0.00 C ATOM 1263 O ARG A 91 -17.404 -15.717 -11.542 1.00 0.00 O ATOM 1264 CB ARG A 91 -15.142 -17.174 -12.884 1.00 0.00 C ATOM 1265 CG ARG A 91 -15.350 -18.357 -11.936 1.00 0.00 C ATOM 1266 CD ARG A 91 -16.670 -19.072 -12.232 1.00 0.00 C ATOM 1267 NE ARG A 91 -16.432 -20.522 -12.409 1.00 0.00 N ATOM 1268 CZ ARG A 91 -17.404 -21.421 -12.669 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -18.689 -21.028 -12.784 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -17.077 -22.693 -12.807 1.00 0.00 N ATOM 0 H ARG A 91 -13.266 -16.588 -11.348 1.00 0.00 H new ATOM 0 HA ARG A 91 -15.142 -15.027 -12.815 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -15.957 -17.135 -13.607 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -14.221 -17.314 -13.450 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.522 -19.058 -12.037 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -15.346 -18.006 -10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -17.373 -18.908 -11.415 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -17.124 -18.657 -13.132 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.474 -20.863 -12.330 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -18.933 -20.044 -12.674 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -19.417 -21.715 -12.981 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -16.103 -22.982 -12.717 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -17.799 -23.387 -13.004 1.00 0.00 H new ATOM 1280 N PHE A 92 -15.909 -15.814 -9.849 1.00 0.00 N ATOM 1281 CA PHE A 92 -16.918 -15.757 -8.805 1.00 0.00 C ATOM 1282 C PHE A 92 -17.383 -14.319 -8.568 1.00 0.00 C ATOM 1283 O PHE A 92 -18.175 -14.058 -7.664 1.00 0.00 O ATOM 1284 CB PHE A 92 -16.271 -16.289 -7.525 1.00 0.00 C ATOM 1285 CG PHE A 92 -15.567 -17.636 -7.697 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -16.229 -18.682 -8.260 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -14.279 -17.787 -7.287 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -15.576 -19.933 -8.419 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -13.626 -19.038 -7.446 1.00 0.00 C ATOM 1290 CZ PHE A 92 -14.288 -20.085 -8.009 1.00 0.00 C ATOM 0 H PHE A 92 -14.949 -15.873 -9.511 1.00 0.00 H new ATOM 0 HA PHE A 92 -17.787 -16.347 -9.097 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.549 -15.557 -7.164 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -17.038 -16.387 -6.756 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -17.251 -18.561 -8.586 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -13.753 -16.956 -6.841 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.102 -20.764 -8.866 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.603 -19.158 -7.120 1.00 0.00 H new ATOM 0 HZ PHE A 92 -13.791 -21.036 -8.130 1.00 0.00 H new ATOM 1299 N TYR A 93 -16.869 -13.422 -9.398 1.00 0.00 N ATOM 1300 CA TYR A 93 -17.220 -12.016 -9.291 1.00 0.00 C ATOM 1301 C TYR A 93 -18.073 -11.571 -10.480 1.00 0.00 C ATOM 1302 O TYR A 93 -17.854 -12.015 -11.606 1.00 0.00 O ATOM 1303 CB TYR A 93 -15.898 -11.248 -9.311 1.00 0.00 C ATOM 1304 CG TYR A 93 -15.378 -10.865 -7.924 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -15.767 -11.592 -6.818 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -14.520 -9.794 -7.780 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -15.278 -11.232 -5.511 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -14.031 -9.435 -6.475 1.00 0.00 C ATOM 1309 CZ TYR A 93 -14.433 -10.171 -5.405 1.00 0.00 C ATOM 1310 OH TYR A 93 -13.971 -9.831 -4.171 1.00 0.00 O ATOM 0 H TYR A 93 -16.213 -13.642 -10.147 1.00 0.00 H new ATOM 0 HA TYR A 93 -17.796 -11.833 -8.384 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -15.145 -11.854 -9.815 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -16.025 -10.342 -9.903 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -16.438 -12.431 -6.932 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.216 -9.225 -8.646 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.575 -11.791 -4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.359 -8.599 -6.348 1.00 0.00 H new ATOM 0 HH TYR A 93 -13.376 -9.056 -4.246 1.00 0.00 H new ATOM 1319 N VAL A 94 -19.029 -10.701 -10.190 1.00 0.00 N ATOM 1320 CA VAL A 94 -19.917 -10.192 -11.222 1.00 0.00 C ATOM 1321 C VAL A 94 -19.352 -8.882 -11.773 1.00 0.00 C ATOM 1322 O VAL A 94 -19.554 -8.557 -12.942 1.00 0.00 O ATOM 1323 CB VAL A 94 -21.335 -10.046 -10.667 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -22.260 -9.386 -11.692 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -21.891 -11.398 -10.217 1.00 0.00 C ATOM 0 H VAL A 94 -19.208 -10.335 -9.255 1.00 0.00 H new ATOM 0 HA VAL A 94 -19.979 -10.894 -12.053 1.00 0.00 H new ATOM 0 HB VAL A 94 -21.286 -9.397 -9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -23.262 -9.294 -11.272 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -21.879 -8.396 -11.941 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -22.299 -9.997 -12.594 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -22.900 -11.265 -9.827 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -21.917 -12.081 -11.066 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -21.252 -11.813 -9.437 1.00 0.00 H new ATOM 1335 N LYS A 95 -18.655 -8.163 -10.904 1.00 0.00 N ATOM 1336 CA LYS A 95 -18.060 -6.895 -11.290 1.00 0.00 C ATOM 1337 C LYS A 95 -17.124 -7.116 -12.480 1.00 0.00 C ATOM 1338 O LYS A 95 -17.357 -6.584 -13.565 1.00 0.00 O ATOM 1339 CB LYS A 95 -17.381 -6.235 -10.088 1.00 0.00 C ATOM 1340 CG LYS A 95 -18.102 -4.946 -9.689 1.00 0.00 C ATOM 1341 CD LYS A 95 -17.111 -3.895 -9.185 1.00 0.00 C ATOM 1342 CE LYS A 95 -17.494 -2.499 -9.676 1.00 0.00 C ATOM 1343 NZ LYS A 95 -17.387 -2.421 -11.150 1.00 0.00 N ATOM 0 H LYS A 95 -18.489 -8.435 -9.935 1.00 0.00 H new ATOM 0 HA LYS A 95 -18.830 -6.196 -11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.373 -6.927 -9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -16.341 -6.014 -10.329 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -18.651 -4.552 -10.545 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.835 -5.161 -8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.086 -3.907 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -16.107 -4.142 -9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -18.513 -2.265 -9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.843 -1.755 -9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -17.128 -1.453 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.657 -3.083 -11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.301 -2.672 -11.578 1.00 0.00 H new ATOM 1352 N PHE A 96 -16.087 -7.902 -12.237 1.00 0.00 N ATOM 1353 CA PHE A 96 -15.115 -8.201 -13.276 1.00 0.00 C ATOM 1354 C PHE A 96 -14.468 -6.919 -13.806 1.00 0.00 C ATOM 1355 O PHE A 96 -14.516 -6.647 -15.005 1.00 0.00 O ATOM 1356 CB PHE A 96 -15.873 -8.885 -14.415 1.00 0.00 C ATOM 1357 CG PHE A 96 -15.168 -10.120 -14.979 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -14.764 -11.114 -14.142 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -14.945 -10.224 -16.316 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -14.109 -12.260 -14.665 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -14.290 -11.371 -16.839 1.00 0.00 C ATOM 1362 CZ PHE A 96 -13.886 -12.365 -16.003 1.00 0.00 C ATOM 0 H PHE A 96 -15.898 -8.341 -11.336 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.325 -8.836 -12.875 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.861 -9.175 -14.057 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.024 -8.166 -15.220 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.942 -11.031 -13.080 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -15.266 -9.435 -16.980 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -13.788 -13.049 -14.001 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -14.113 -11.454 -17.901 1.00 0.00 H new ATOM 0 HZ PHE A 96 -13.389 -13.237 -16.401 1.00 0.00 H new ATOM 1371 N GLY A 97 -13.880 -6.168 -12.888 1.00 0.00 N ATOM 1372 CA GLY A 97 -13.225 -4.922 -13.248 1.00 0.00 C ATOM 1373 C GLY A 97 -11.862 -4.800 -12.564 1.00 0.00 C ATOM 1374 O GLY A 97 -11.781 -4.756 -11.338 1.00 0.00 O ATOM 0 H GLY A 97 -13.843 -6.398 -11.895 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -13.099 -4.873 -14.330 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.856 -4.080 -12.962 1.00 0.00 H new ATOM 1378 N PRO A 98 -10.797 -4.749 -13.409 1.00 0.00 N ATOM 1379 CA PRO A 98 -9.442 -4.634 -12.899 1.00 0.00 C ATOM 1380 C PRO A 98 -9.161 -3.214 -12.403 1.00 0.00 C ATOM 1381 O PRO A 98 -9.856 -2.273 -12.781 1.00 0.00 O ATOM 1382 CB PRO A 98 -8.549 -5.047 -14.058 1.00 0.00 C ATOM 1383 CG PRO A 98 -9.406 -4.929 -15.306 1.00 0.00 C ATOM 1384 CD PRO A 98 -10.855 -4.799 -14.867 1.00 0.00 C ATOM 0 HA PRO A 98 -9.264 -5.269 -12.031 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -7.672 -4.403 -14.124 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -8.187 -6.067 -13.928 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.106 -4.062 -15.894 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.277 -5.805 -15.942 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -11.314 -3.899 -15.276 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -11.450 -5.645 -15.211 1.00 0.00 H new ATOM 1389 N GLY A 99 -8.141 -3.105 -11.565 1.00 0.00 N ATOM 1390 CA GLY A 99 -7.760 -1.816 -11.013 1.00 0.00 C ATOM 1391 C GLY A 99 -6.280 -1.525 -11.271 1.00 0.00 C ATOM 1392 O GLY A 99 -5.416 -1.968 -10.516 1.00 0.00 O ATOM 0 H GLY A 99 -7.566 -3.888 -11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.372 -1.031 -11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.955 -1.803 -9.941 1.00 0.00 H new ATOM 1396 N ALA A 100 -6.033 -0.782 -12.340 1.00 0.00 N ATOM 1397 CA ALA A 100 -4.672 -0.427 -12.706 1.00 0.00 C ATOM 1398 C ALA A 100 -4.307 0.910 -12.059 1.00 0.00 C ATOM 1399 O ALA A 100 -5.148 1.551 -11.430 1.00 0.00 O ATOM 1400 CB ALA A 100 -4.547 -0.392 -14.231 1.00 0.00 C ATOM 0 H ALA A 100 -6.752 -0.416 -12.964 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.968 -1.173 -12.338 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.527 -0.126 -14.506 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.788 -1.374 -14.638 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.237 0.349 -14.636 1.00 0.00 H new ATOM 1406 N VAL A 101 -3.051 1.293 -12.236 1.00 0.00 N ATOM 1407 CA VAL A 101 -2.564 2.543 -11.678 1.00 0.00 C ATOM 1408 C VAL A 101 -3.475 3.688 -12.128 1.00 0.00 C ATOM 1409 O VAL A 101 -3.797 4.576 -11.340 1.00 0.00 O ATOM 1410 CB VAL A 101 -1.100 2.756 -12.069 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -0.257 1.525 -11.728 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -0.974 3.112 -13.551 1.00 0.00 C ATOM 0 H VAL A 101 -2.356 0.760 -12.758 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.595 2.512 -10.589 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.718 3.596 -11.489 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.779 1.702 -12.016 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.308 1.335 -10.656 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.641 0.660 -12.269 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.077 3.258 -13.802 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.382 2.302 -14.156 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.526 4.030 -13.753 1.00 0.00 H new ATOM 1422 N ILE A 102 -3.865 3.628 -13.393 1.00 0.00 N ATOM 1423 CA ILE A 102 -4.732 4.648 -13.957 1.00 0.00 C ATOM 1424 C ILE A 102 -6.090 4.602 -13.254 1.00 0.00 C ATOM 1425 O ILE A 102 -6.581 5.624 -12.778 1.00 0.00 O ATOM 1426 CB ILE A 102 -4.821 4.495 -15.477 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -4.792 5.859 -16.168 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -6.051 3.676 -15.875 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -3.359 6.380 -16.296 1.00 0.00 C ATOM 0 H ILE A 102 -3.596 2.889 -14.043 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.316 5.640 -13.783 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.944 3.944 -15.817 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.243 5.779 -17.157 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.392 6.571 -15.601 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.090 3.582 -16.960 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.988 2.684 -15.427 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.952 4.177 -15.521 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.368 7.351 -16.791 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.919 6.482 -15.304 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.768 5.678 -16.885 1.00 0.00 H new ATOM 1440 N LYS A 103 -6.659 3.406 -13.211 1.00 0.00 N ATOM 1441 CA LYS A 103 -7.950 3.215 -12.575 1.00 0.00 C ATOM 1442 C LYS A 103 -7.851 3.611 -11.100 1.00 0.00 C ATOM 1443 O LYS A 103 -8.715 4.320 -10.585 1.00 0.00 O ATOM 1444 CB LYS A 103 -8.448 1.784 -12.794 1.00 0.00 C ATOM 1445 CG LYS A 103 -9.946 1.675 -12.501 1.00 0.00 C ATOM 1446 CD LYS A 103 -10.644 0.793 -13.539 1.00 0.00 C ATOM 1447 CE LYS A 103 -10.838 1.545 -14.856 1.00 0.00 C ATOM 1448 NZ LYS A 103 -10.746 0.614 -16.004 1.00 0.00 N ATOM 0 H LYS A 103 -6.249 2.560 -13.607 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.699 3.863 -13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.252 1.480 -13.822 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.897 1.100 -12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -10.096 1.259 -11.505 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -10.394 2.669 -12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.053 -0.106 -13.713 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -11.611 0.470 -13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -11.809 2.040 -14.859 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.082 2.325 -14.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.880 1.141 -16.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.810 0.161 -16.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -11.483 -0.115 -15.920 1.00 0.00 H new ATOM 1457 N GLU A 104 -6.790 3.139 -10.463 1.00 0.00 N ATOM 1458 CA GLU A 104 -6.567 3.437 -9.059 1.00 0.00 C ATOM 1459 C GLU A 104 -6.657 4.945 -8.815 1.00 0.00 C ATOM 1460 O GLU A 104 -7.163 5.381 -7.782 1.00 0.00 O ATOM 1461 CB GLU A 104 -5.219 2.885 -8.589 1.00 0.00 C ATOM 1462 CG GLU A 104 -4.865 3.416 -7.198 1.00 0.00 C ATOM 1463 CD GLU A 104 -3.912 2.462 -6.474 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -2.768 2.276 -6.914 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -4.399 1.906 -5.417 1.00 0.00 O ATOM 0 H GLU A 104 -6.075 2.552 -10.893 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.347 2.947 -8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.255 1.796 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.440 3.165 -9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.403 4.399 -7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.774 3.543 -6.611 1.00 0.00 H new ATOM 1471 N PHE A 105 -6.158 5.699 -9.782 1.00 0.00 N ATOM 1472 CA PHE A 105 -6.175 7.149 -9.685 1.00 0.00 C ATOM 1473 C PHE A 105 -7.610 7.681 -9.688 1.00 0.00 C ATOM 1474 O PHE A 105 -7.910 8.670 -9.020 1.00 0.00 O ATOM 1475 CB PHE A 105 -5.441 7.688 -10.914 1.00 0.00 C ATOM 1476 CG PHE A 105 -4.515 8.870 -10.618 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -4.952 9.898 -9.841 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -3.256 8.893 -11.130 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -4.093 10.994 -9.566 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -2.397 9.989 -10.854 1.00 0.00 C ATOM 1481 CZ PHE A 105 -2.834 11.017 -10.078 1.00 0.00 C ATOM 0 H PHE A 105 -5.739 5.334 -10.637 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.700 7.466 -8.756 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.855 6.883 -11.356 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -6.176 7.993 -11.659 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -5.952 9.880 -9.434 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -2.909 8.077 -11.747 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.440 11.810 -8.950 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.396 10.007 -11.260 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.181 11.851 -9.869 1.00 0.00 H new ATOM 1490 N LYS A 106 -8.457 7.002 -10.448 1.00 0.00 N ATOM 1491 CA LYS A 106 -9.853 7.394 -10.546 1.00 0.00 C ATOM 1492 C LYS A 106 -10.335 7.895 -9.183 1.00 0.00 C ATOM 1493 O LYS A 106 -11.148 8.816 -9.107 1.00 0.00 O ATOM 1494 CB LYS A 106 -10.693 6.248 -11.113 1.00 0.00 C ATOM 1495 CG LYS A 106 -12.149 6.676 -11.300 1.00 0.00 C ATOM 1496 CD LYS A 106 -13.077 5.460 -11.346 1.00 0.00 C ATOM 1497 CE LYS A 106 -13.831 5.294 -10.025 1.00 0.00 C ATOM 1498 NZ LYS A 106 -15.282 5.497 -10.228 1.00 0.00 N ATOM 0 H LYS A 106 -8.204 6.183 -11.001 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.968 8.220 -11.248 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.279 5.927 -12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.646 5.391 -10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.446 7.334 -10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.248 7.248 -12.222 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.789 5.573 -12.163 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.495 4.562 -11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.650 4.299 -9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.456 6.010 -9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.779 5.381 -9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.450 6.455 -10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.638 4.798 -10.910 1.00 0.00 H new ATOM 1507 N ILE A 107 -9.814 7.266 -8.139 1.00 0.00 N ATOM 1508 CA ILE A 107 -10.181 7.637 -6.783 1.00 0.00 C ATOM 1509 C ILE A 107 -10.294 9.160 -6.687 1.00 0.00 C ATOM 1510 O ILE A 107 -11.131 9.678 -5.950 1.00 0.00 O ATOM 1511 CB ILE A 107 -9.201 7.028 -5.777 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -9.511 7.500 -4.356 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -7.753 7.322 -6.176 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -10.403 6.494 -3.626 1.00 0.00 C ATOM 0 H ILE A 107 -9.141 6.502 -8.205 1.00 0.00 H new ATOM 0 HA ILE A 107 -11.159 7.228 -6.528 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.325 5.945 -5.791 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.581 7.635 -3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -10.005 8.471 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.077 6.878 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.553 6.897 -7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.596 8.400 -6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -10.608 6.854 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -11.342 6.379 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.896 5.531 -3.571 1.00 0.00 H new ATOM 1525 N THR A 108 -9.439 9.833 -7.443 1.00 0.00 N ATOM 1526 CA THR A 108 -9.433 11.286 -7.453 1.00 0.00 C ATOM 1527 C THR A 108 -9.314 11.809 -8.886 1.00 0.00 C ATOM 1528 O THR A 108 -10.031 12.728 -9.277 1.00 0.00 O ATOM 1529 CB THR A 108 -8.303 11.760 -6.536 1.00 0.00 C ATOM 1530 OG1 THR A 108 -7.133 11.169 -7.094 1.00 0.00 O ATOM 1531 CG2 THR A 108 -8.395 11.155 -5.134 1.00 0.00 C ATOM 0 H THR A 108 -8.746 9.399 -8.053 1.00 0.00 H new ATOM 0 HA THR A 108 -10.371 11.689 -7.071 1.00 0.00 H new ATOM 0 HB THR A 108 -8.325 12.847 -6.464 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.351 11.426 -6.562 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.570 11.524 -4.524 1.00 0.00 H new ATOM 0 HG22 THR A 108 -9.342 11.441 -4.676 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.339 10.069 -5.202 1.00 0.00 H new ATOM 1539 N ASP A 109 -8.399 11.202 -9.629 1.00 0.00 N ATOM 1540 CA ASP A 109 -8.176 11.596 -11.009 1.00 0.00 C ATOM 1541 C ASP A 109 -9.523 11.865 -11.683 1.00 0.00 C ATOM 1542 O ASP A 109 -9.702 12.894 -12.331 1.00 0.00 O ATOM 1543 CB ASP A 109 -7.470 10.486 -11.791 1.00 0.00 C ATOM 1544 CG ASP A 109 -7.713 10.503 -13.302 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -6.834 10.893 -14.085 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -8.878 10.089 -13.672 1.00 0.00 O ATOM 0 H ASP A 109 -7.804 10.441 -9.301 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.552 12.490 -11.008 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.398 10.560 -11.610 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.794 9.523 -11.397 1.00 0.00 H new TER 1551 ASP A 109