USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 905 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.264 USER MOD Single : A 3 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-3!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -4.1! C(o=-4.1!,f=-6.6!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -2.26 USER MOD Single : A 14 HIS : no HD1:sc= -12.2! C(o=-12!,f=-11!) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= 0.3 (180deg=0.219) USER MOD Single : A 24 LYS NZ :NH3+ 136:sc= -1.2 (180deg=-3.27!) USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0307) USER MOD Single : A 42 THR OG1 : rot -6:sc= 1 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0491 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -2.77! C(o=-2.8!,f=-2.1!) USER MOD Single : A 58 THR OG1 : rot -57:sc= 0.985 USER MOD Single : A 62 GLN : amide:sc= -0.836 K(o=-0.84,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.556 K(o=-0.56,f=-1.6) USER MOD Single : A 64 GLN : amide:sc= -3.11 K(o=-3.1,f=-15!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 180:sc= -1.86! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -3:sc= 0.626 USER MOD Single : A 91 THR OG1 : rot -52:sc= 1.14 USER MOD Single : A 92 THR OG1 : rot -170:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.141 34.065 -16.262 1.00 0.00 N ATOM 2 CA GLY A 1 4.928 34.662 -17.378 1.00 0.00 C ATOM 3 C GLY A 1 6.416 34.626 -17.030 1.00 0.00 C ATOM 4 O GLY A 1 7.185 33.902 -17.627 1.00 0.00 O ATOM 0 H1 GLY A 1 3.129 34.090 -16.499 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.438 33.079 -16.116 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.306 34.609 -15.391 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.746 34.111 -18.301 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.609 35.690 -17.553 1.00 0.00 H new ATOM 10 N SER A 2 6.826 35.401 -16.064 1.00 0.00 N ATOM 11 CA SER A 2 8.266 35.409 -15.676 1.00 0.00 C ATOM 12 C SER A 2 8.676 34.031 -15.147 1.00 0.00 C ATOM 13 O SER A 2 9.674 33.472 -15.557 1.00 0.00 O ATOM 14 CB SER A 2 8.374 36.461 -14.574 1.00 0.00 C ATOM 15 OG SER A 2 7.536 36.091 -13.486 1.00 0.00 O ATOM 0 H SER A 2 6.228 36.029 -15.527 1.00 0.00 H new ATOM 0 HA SER A 2 8.921 35.635 -16.518 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.407 36.548 -14.239 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.080 37.438 -14.958 1.00 0.00 H new ATOM 0 HG SER A 2 7.605 36.764 -12.777 1.00 0.00 H new ATOM 21 N HIS A 3 7.917 33.479 -14.241 1.00 0.00 N ATOM 22 CA HIS A 3 8.269 32.137 -13.693 1.00 0.00 C ATOM 23 C HIS A 3 7.316 31.758 -12.554 1.00 0.00 C ATOM 24 O HIS A 3 6.986 30.604 -12.368 1.00 0.00 O ATOM 25 CB HIS A 3 9.696 32.288 -13.165 1.00 0.00 C ATOM 26 CG HIS A 3 10.649 31.566 -14.078 1.00 0.00 C ATOM 27 ND1 HIS A 3 10.594 30.195 -14.270 1.00 0.00 N ATOM 28 CD2 HIS A 3 11.689 32.012 -14.854 1.00 0.00 C ATOM 29 CE1 HIS A 3 11.576 29.867 -15.130 1.00 0.00 C ATOM 30 NE2 HIS A 3 12.273 30.938 -15.518 1.00 0.00 N ATOM 0 H HIS A 3 7.070 33.897 -13.857 1.00 0.00 H new ATOM 0 HA HIS A 3 8.190 31.353 -14.446 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.963 33.343 -13.105 1.00 0.00 H new ATOM 0 HB3 HIS A 3 9.766 31.883 -12.155 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.006 33.041 -14.937 1.00 0.00 H new ATOM 0 HE1 HIS A 3 11.776 28.860 -15.466 1.00 0.00 H new ATOM 0 HE2 HIS A 3 13.063 30.963 -16.162 1.00 0.00 H new ATOM 38 N MET A 4 6.874 32.719 -11.789 1.00 0.00 N ATOM 39 CA MET A 4 5.947 32.407 -10.663 1.00 0.00 C ATOM 40 C MET A 4 4.497 32.674 -11.074 1.00 0.00 C ATOM 41 O MET A 4 4.194 33.667 -11.706 1.00 0.00 O ATOM 42 CB MET A 4 6.366 33.349 -9.534 1.00 0.00 C ATOM 43 CG MET A 4 7.626 32.807 -8.860 1.00 0.00 C ATOM 44 SD MET A 4 8.688 34.186 -8.366 1.00 0.00 S ATOM 45 CE MET A 4 8.769 33.787 -6.604 1.00 0.00 C ATOM 0 H MET A 4 7.114 33.705 -11.894 1.00 0.00 H new ATOM 0 HA MET A 4 6.001 31.360 -10.365 1.00 0.00 H new ATOM 0 HB2 MET A 4 6.553 34.347 -9.929 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.561 33.441 -8.805 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.357 32.211 -7.988 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.162 32.148 -9.543 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.387 34.524 -6.092 1.00 0.00 H new ATOM 0 HE2 MET A 4 7.764 33.800 -6.181 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.204 32.796 -6.475 1.00 0.00 H new ATOM 55 N GLN A 5 3.599 31.798 -10.716 1.00 0.00 N ATOM 56 CA GLN A 5 2.167 32.005 -11.081 1.00 0.00 C ATOM 57 C GLN A 5 1.411 32.630 -9.907 1.00 0.00 C ATOM 58 O GLN A 5 1.990 32.986 -8.900 1.00 0.00 O ATOM 59 CB GLN A 5 1.620 30.608 -11.380 1.00 0.00 C ATOM 60 CG GLN A 5 1.582 30.376 -12.892 1.00 0.00 C ATOM 61 CD GLN A 5 0.144 30.075 -13.323 1.00 0.00 C ATOM 62 OE1 GLN A 5 -0.674 30.969 -13.408 1.00 0.00 O ATOM 63 NE2 GLN A 5 -0.203 28.846 -13.598 1.00 0.00 N ATOM 0 H GLN A 5 3.794 30.948 -10.187 1.00 0.00 H new ATOM 0 HA GLN A 5 2.054 32.676 -11.933 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.245 29.853 -10.903 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.619 30.503 -10.962 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.954 31.257 -13.416 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.235 29.546 -13.160 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.483 28.094 -13.527 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.160 28.638 -13.884 1.00 0.00 H new ATOM 72 N VAL A 6 0.118 32.762 -10.027 1.00 0.00 N ATOM 73 CA VAL A 6 -0.680 33.359 -8.916 1.00 0.00 C ATOM 74 C VAL A 6 -1.773 32.385 -8.477 1.00 0.00 C ATOM 75 O VAL A 6 -2.137 31.486 -9.204 1.00 0.00 O ATOM 76 CB VAL A 6 -1.301 34.627 -9.504 1.00 0.00 C ATOM 77 CG1 VAL A 6 -1.793 35.526 -8.368 1.00 0.00 C ATOM 78 CG2 VAL A 6 -0.254 35.376 -10.331 1.00 0.00 C ATOM 0 H VAL A 6 -0.421 32.482 -10.846 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.069 33.576 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.140 34.356 -10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.236 36.430 -8.785 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.541 34.993 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.953 35.796 -7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.699 36.279 -10.749 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.587 35.647 -9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.096 34.736 -11.141 1.00 0.00 H new ATOM 88 N VAL A 7 -2.295 32.555 -7.293 1.00 0.00 N ATOM 89 CA VAL A 7 -3.360 31.629 -6.808 1.00 0.00 C ATOM 90 C VAL A 7 -4.550 31.613 -7.774 1.00 0.00 C ATOM 91 O VAL A 7 -5.550 32.271 -7.560 1.00 0.00 O ATOM 92 CB VAL A 7 -3.780 32.176 -5.443 1.00 0.00 C ATOM 93 CG1 VAL A 7 -4.641 31.134 -4.725 1.00 0.00 C ATOM 94 CG2 VAL A 7 -2.532 32.466 -4.604 1.00 0.00 C ATOM 0 H VAL A 7 -2.031 33.294 -6.641 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.002 30.602 -6.741 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.350 33.095 -5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.943 31.520 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.528 30.921 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.066 30.218 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.830 32.856 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.963 31.546 -4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.913 33.203 -5.116 1.00 0.00 H new ATOM 104 N LEU A 8 -4.447 30.856 -8.832 1.00 0.00 N ATOM 105 CA LEU A 8 -5.565 30.769 -9.815 1.00 0.00 C ATOM 106 C LEU A 8 -6.902 30.593 -9.080 1.00 0.00 C ATOM 107 O LEU A 8 -6.926 30.419 -7.879 1.00 0.00 O ATOM 108 CB LEU A 8 -5.219 29.556 -10.698 1.00 0.00 C ATOM 109 CG LEU A 8 -5.442 28.229 -9.954 1.00 0.00 C ATOM 110 CD1 LEU A 8 -4.859 28.288 -8.541 1.00 0.00 C ATOM 111 CD2 LEU A 8 -6.935 27.922 -9.875 1.00 0.00 C ATOM 0 H LEU A 8 -3.630 30.290 -9.060 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.676 31.670 -10.418 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.832 29.575 -11.599 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.179 29.624 -11.018 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.933 27.440 -10.508 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.030 27.337 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.788 28.481 -8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.343 29.088 -7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.085 26.981 -9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.443 28.724 -9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.344 27.842 -10.882 1.00 0.00 H new ATOM 123 N PRO A 9 -7.979 30.679 -9.820 1.00 0.00 N ATOM 124 CA PRO A 9 -9.326 30.562 -9.209 1.00 0.00 C ATOM 125 C PRO A 9 -9.669 29.110 -8.850 1.00 0.00 C ATOM 126 O PRO A 9 -9.261 28.611 -7.821 1.00 0.00 O ATOM 127 CB PRO A 9 -10.255 31.112 -10.289 1.00 0.00 C ATOM 128 CG PRO A 9 -9.524 30.910 -11.580 1.00 0.00 C ATOM 129 CD PRO A 9 -8.046 30.891 -11.271 1.00 0.00 C ATOM 0 HA PRO A 9 -9.407 31.102 -8.266 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.210 30.586 -10.291 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.472 32.167 -10.121 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.829 29.975 -12.050 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.758 31.711 -12.282 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.537 30.094 -11.813 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.568 31.828 -11.558 1.00 0.00 H new ATOM 137 N ASN A 10 -10.430 28.430 -9.667 1.00 0.00 N ATOM 138 CA ASN A 10 -10.804 27.027 -9.331 1.00 0.00 C ATOM 139 C ASN A 10 -10.156 26.042 -10.302 1.00 0.00 C ATOM 140 O ASN A 10 -10.758 25.617 -11.265 1.00 0.00 O ATOM 141 CB ASN A 10 -12.327 26.990 -9.463 1.00 0.00 C ATOM 142 CG ASN A 10 -12.962 27.020 -8.072 1.00 0.00 C ATOM 143 OD1 ASN A 10 -13.762 26.168 -7.739 1.00 0.00 O ATOM 144 ND2 ASN A 10 -12.638 27.972 -7.239 1.00 0.00 N ATOM 0 H ASN A 10 -10.806 28.784 -10.547 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.467 26.741 -8.335 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.672 27.841 -10.050 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.635 26.090 -9.995 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.056 28.000 -6.309 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.967 28.687 -7.518 1.00 0.00 H new ATOM 151 N THR A 11 -8.933 25.669 -10.052 1.00 0.00 N ATOM 152 CA THR A 11 -8.247 24.697 -10.963 1.00 0.00 C ATOM 153 C THR A 11 -7.127 23.969 -10.212 1.00 0.00 C ATOM 154 O THR A 11 -6.759 24.340 -9.115 1.00 0.00 O ATOM 155 CB THR A 11 -7.648 25.522 -12.115 1.00 0.00 C ATOM 156 OG1 THR A 11 -6.366 26.005 -11.734 1.00 0.00 O ATOM 157 CG2 THR A 11 -8.556 26.706 -12.460 1.00 0.00 C ATOM 0 H THR A 11 -8.376 25.991 -9.260 1.00 0.00 H new ATOM 0 HA THR A 11 -8.947 23.947 -11.332 1.00 0.00 H new ATOM 0 HB THR A 11 -7.558 24.882 -12.993 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.983 26.529 -12.468 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.115 27.277 -13.277 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.536 26.337 -12.763 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.665 27.348 -11.586 1.00 0.00 H new ATOM 165 N ALA A 12 -6.571 22.944 -10.803 1.00 0.00 N ATOM 166 CA ALA A 12 -5.461 22.207 -10.132 1.00 0.00 C ATOM 167 C ALA A 12 -4.482 21.715 -11.194 1.00 0.00 C ATOM 168 O ALA A 12 -4.780 21.748 -12.366 1.00 0.00 O ATOM 169 CB ALA A 12 -6.123 21.022 -9.425 1.00 0.00 C ATOM 0 H ALA A 12 -6.838 22.586 -11.720 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.909 22.829 -9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.363 20.435 -8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.850 21.390 -8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.628 20.396 -10.160 1.00 0.00 H new ATOM 175 N LEU A 13 -3.319 21.267 -10.813 1.00 0.00 N ATOM 176 CA LEU A 13 -2.360 20.782 -11.848 1.00 0.00 C ATOM 177 C LEU A 13 -1.726 19.450 -11.433 1.00 0.00 C ATOM 178 O LEU A 13 -1.598 19.151 -10.263 1.00 0.00 O ATOM 179 CB LEU A 13 -1.306 21.892 -11.980 1.00 0.00 C ATOM 180 CG LEU A 13 -0.202 21.742 -10.925 1.00 0.00 C ATOM 181 CD1 LEU A 13 1.163 21.713 -11.619 1.00 0.00 C ATOM 182 CD2 LEU A 13 -0.260 22.930 -9.968 1.00 0.00 C ATOM 0 H LEU A 13 -2.993 21.215 -9.848 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.855 20.589 -12.800 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.866 21.862 -12.977 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.785 22.865 -11.873 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.347 20.815 -10.369 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.949 21.607 -10.871 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.202 20.870 -12.309 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.310 22.641 -12.171 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.522 22.830 -9.216 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.110 23.854 -10.526 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.233 22.956 -9.478 1.00 0.00 H new ATOM 194 N HIS A 14 -1.307 18.661 -12.385 1.00 0.00 N ATOM 195 CA HIS A 14 -0.657 17.364 -12.043 1.00 0.00 C ATOM 196 C HIS A 14 0.861 17.528 -12.109 1.00 0.00 C ATOM 197 O HIS A 14 1.391 18.113 -13.030 1.00 0.00 O ATOM 198 CB HIS A 14 -1.125 16.373 -13.108 1.00 0.00 C ATOM 199 CG HIS A 14 -2.589 16.101 -12.939 1.00 0.00 C ATOM 200 ND1 HIS A 14 -3.101 14.816 -12.880 1.00 0.00 N ATOM 201 CD2 HIS A 14 -3.664 16.940 -12.827 1.00 0.00 C ATOM 202 CE1 HIS A 14 -4.436 14.920 -12.740 1.00 0.00 C ATOM 203 NE2 HIS A 14 -4.831 16.195 -12.702 1.00 0.00 N ATOM 0 H HIS A 14 -1.387 18.858 -13.383 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.916 17.024 -11.040 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.933 16.776 -14.102 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.561 15.444 -13.026 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.613 18.019 -12.835 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.105 14.076 -12.667 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.783 16.546 -12.603 1.00 0.00 H new ATOM 211 N LEU A 15 1.565 17.014 -11.146 1.00 0.00 N ATOM 212 CA LEU A 15 3.050 17.144 -11.173 1.00 0.00 C ATOM 213 C LEU A 15 3.702 15.836 -10.724 1.00 0.00 C ATOM 214 O LEU A 15 3.056 14.963 -10.181 1.00 0.00 O ATOM 215 CB LEU A 15 3.439 18.309 -10.239 1.00 0.00 C ATOM 216 CG LEU A 15 2.395 18.565 -9.140 1.00 0.00 C ATOM 217 CD1 LEU A 15 1.086 19.092 -9.735 1.00 0.00 C ATOM 218 CD2 LEU A 15 2.146 17.276 -8.364 1.00 0.00 C ATOM 0 H LEU A 15 1.183 16.512 -10.344 1.00 0.00 H new ATOM 0 HA LEU A 15 3.400 17.351 -12.184 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.402 18.092 -9.776 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.567 19.216 -10.830 1.00 0.00 H new ATOM 0 HG LEU A 15 2.781 19.326 -8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.366 19.264 -8.935 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.276 20.028 -10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.683 18.359 -10.434 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.406 17.458 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.777 16.508 -9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.077 16.940 -7.908 1.00 0.00 H new ATOM 230 N LYS A 16 4.976 15.685 -10.964 1.00 0.00 N ATOM 231 CA LYS A 16 5.663 14.421 -10.573 1.00 0.00 C ATOM 232 C LYS A 16 6.705 14.675 -9.484 1.00 0.00 C ATOM 233 O LYS A 16 7.638 15.430 -9.668 1.00 0.00 O ATOM 234 CB LYS A 16 6.343 13.934 -11.851 1.00 0.00 C ATOM 235 CG LYS A 16 5.977 12.471 -12.098 1.00 0.00 C ATOM 236 CD LYS A 16 6.182 12.136 -13.576 1.00 0.00 C ATOM 237 CE LYS A 16 6.064 10.625 -13.778 1.00 0.00 C ATOM 238 NZ LYS A 16 5.336 10.464 -15.068 1.00 0.00 N ATOM 0 H LYS A 16 5.570 16.381 -11.413 1.00 0.00 H new ATOM 0 HA LYS A 16 4.963 13.691 -10.167 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.031 14.546 -12.697 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.424 14.039 -11.763 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.594 11.821 -11.478 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.940 12.292 -11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.440 12.654 -14.183 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.162 12.482 -13.906 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.046 10.154 -13.818 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.520 10.158 -12.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.422 9.480 -15.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.332 10.697 -14.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.746 11.102 -15.780 1.00 0.00 H new ATOM 252 N ALA A 17 6.560 14.036 -8.357 1.00 0.00 N ATOM 253 CA ALA A 17 7.551 14.227 -7.262 1.00 0.00 C ATOM 254 C ALA A 17 8.777 13.348 -7.517 1.00 0.00 C ATOM 255 O ALA A 17 8.706 12.133 -7.470 1.00 0.00 O ATOM 256 CB ALA A 17 6.829 13.790 -5.988 1.00 0.00 C ATOM 0 H ALA A 17 5.799 13.390 -8.147 1.00 0.00 H new ATOM 0 HA ALA A 17 7.902 15.257 -7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.497 13.902 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.944 14.410 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.529 12.746 -6.079 1.00 0.00 H new ATOM 262 N LEU A 18 9.899 13.953 -7.795 1.00 0.00 N ATOM 263 CA LEU A 18 11.131 13.157 -8.057 1.00 0.00 C ATOM 264 C LEU A 18 12.020 13.137 -6.811 1.00 0.00 C ATOM 265 O LEU A 18 12.717 14.089 -6.520 1.00 0.00 O ATOM 266 CB LEU A 18 11.830 13.886 -9.204 1.00 0.00 C ATOM 267 CG LEU A 18 11.776 13.023 -10.465 1.00 0.00 C ATOM 268 CD1 LEU A 18 12.666 11.793 -10.280 1.00 0.00 C ATOM 269 CD2 LEU A 18 10.335 12.575 -10.711 1.00 0.00 C ATOM 0 H LEU A 18 10.016 14.965 -7.852 1.00 0.00 H new ATOM 0 HA LEU A 18 10.911 12.119 -8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.347 14.846 -9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.866 14.096 -8.938 1.00 0.00 H new ATOM 0 HG LEU A 18 12.130 13.602 -11.318 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.628 11.178 -11.179 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.693 12.111 -10.101 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.312 11.213 -9.428 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.294 11.959 -11.610 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.984 11.995 -9.858 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.699 13.451 -10.841 1.00 0.00 H new ATOM 281 N LEU A 19 11.998 12.063 -6.072 1.00 0.00 N ATOM 282 CA LEU A 19 12.840 11.989 -4.845 1.00 0.00 C ATOM 283 C LEU A 19 12.996 10.534 -4.398 1.00 0.00 C ATOM 284 O LEU A 19 12.060 9.760 -4.429 1.00 0.00 O ATOM 285 CB LEU A 19 12.070 12.792 -3.798 1.00 0.00 C ATOM 286 CG LEU A 19 13.051 13.538 -2.893 1.00 0.00 C ATOM 287 CD1 LEU A 19 14.075 12.556 -2.323 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.779 14.614 -3.704 1.00 0.00 C ATOM 0 H LEU A 19 11.435 11.235 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 19 13.845 12.379 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.403 13.501 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.446 12.126 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 19 12.501 14.005 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.773 13.091 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.561 11.789 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.623 12.087 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.478 15.145 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.325 14.145 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.052 15.318 -4.109 1.00 0.00 H new ATOM 300 N ASP A 20 14.172 10.157 -3.977 1.00 0.00 N ATOM 301 CA ASP A 20 14.384 8.755 -3.520 1.00 0.00 C ATOM 302 C ASP A 20 13.840 8.588 -2.102 1.00 0.00 C ATOM 303 O ASP A 20 14.461 8.986 -1.136 1.00 0.00 O ATOM 304 CB ASP A 20 15.899 8.553 -3.544 1.00 0.00 C ATOM 305 CG ASP A 20 16.564 9.576 -2.621 1.00 0.00 C ATOM 306 OD1 ASP A 20 15.928 10.571 -2.314 1.00 0.00 O ATOM 307 OD2 ASP A 20 17.700 9.348 -2.236 1.00 0.00 O ATOM 0 H ASP A 20 14.994 10.759 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 20 13.872 8.028 -4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.147 7.542 -3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.276 8.665 -4.561 1.00 0.00 H new ATOM 312 N PHE A 21 12.680 8.010 -1.969 1.00 0.00 N ATOM 313 CA PHE A 21 12.091 7.829 -0.614 1.00 0.00 C ATOM 314 C PHE A 21 11.829 6.346 -0.336 1.00 0.00 C ATOM 315 O PHE A 21 10.894 5.764 -0.848 1.00 0.00 O ATOM 316 CB PHE A 21 10.777 8.609 -0.655 1.00 0.00 C ATOM 317 CG PHE A 21 10.690 9.513 0.547 1.00 0.00 C ATOM 318 CD1 PHE A 21 10.885 8.991 1.830 1.00 0.00 C ATOM 319 CD2 PHE A 21 10.418 10.873 0.377 1.00 0.00 C ATOM 320 CE1 PHE A 21 10.807 9.833 2.946 1.00 0.00 C ATOM 321 CE2 PHE A 21 10.340 11.716 1.491 1.00 0.00 C ATOM 322 CZ PHE A 21 10.535 11.196 2.777 1.00 0.00 C ATOM 0 H PHE A 21 12.114 7.655 -2.740 1.00 0.00 H new ATOM 0 HA PHE A 21 12.755 8.181 0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.720 9.198 -1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.933 7.919 -0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.095 7.940 1.960 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.268 11.274 -0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.957 9.431 3.937 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.130 12.767 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.476 11.846 3.637 1.00 0.00 H new ATOM 332 N GLU A 22 12.648 5.735 0.476 1.00 0.00 N ATOM 333 CA GLU A 22 12.446 4.292 0.795 1.00 0.00 C ATOM 334 C GLU A 22 12.226 4.119 2.300 1.00 0.00 C ATOM 335 O GLU A 22 13.096 4.398 3.100 1.00 0.00 O ATOM 336 CB GLU A 22 13.739 3.603 0.357 1.00 0.00 C ATOM 337 CG GLU A 22 14.888 4.044 1.267 1.00 0.00 C ATOM 338 CD GLU A 22 16.160 4.221 0.435 1.00 0.00 C ATOM 339 OE1 GLU A 22 16.519 3.289 -0.266 1.00 0.00 O ATOM 340 OE2 GLU A 22 16.751 5.285 0.513 1.00 0.00 O ATOM 0 H GLU A 22 13.448 6.172 0.933 1.00 0.00 H new ATOM 0 HA GLU A 22 11.575 3.872 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.620 2.520 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.965 3.855 -0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.633 4.980 1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.052 3.302 2.048 1.00 0.00 H new ATOM 347 N ASP A 23 11.067 3.665 2.693 1.00 0.00 N ATOM 348 CA ASP A 23 10.794 3.482 4.147 1.00 0.00 C ATOM 349 C ASP A 23 11.565 2.275 4.688 1.00 0.00 C ATOM 350 O ASP A 23 12.212 1.557 3.953 1.00 0.00 O ATOM 351 CB ASP A 23 9.287 3.241 4.245 1.00 0.00 C ATOM 352 CG ASP A 23 8.589 4.534 4.672 1.00 0.00 C ATOM 353 OD1 ASP A 23 9.046 5.142 5.625 1.00 0.00 O ATOM 354 OD2 ASP A 23 7.612 4.894 4.038 1.00 0.00 O ATOM 0 H ASP A 23 10.299 3.413 2.071 1.00 0.00 H new ATOM 0 HA ASP A 23 11.108 4.346 4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.898 2.906 3.283 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.081 2.449 4.965 1.00 0.00 H new ATOM 359 N LYS A 24 11.498 2.051 5.972 1.00 0.00 N ATOM 360 CA LYS A 24 12.224 0.894 6.569 1.00 0.00 C ATOM 361 C LYS A 24 11.638 -0.423 6.049 1.00 0.00 C ATOM 362 O LYS A 24 12.220 -1.478 6.207 1.00 0.00 O ATOM 363 CB LYS A 24 12.002 1.026 8.077 1.00 0.00 C ATOM 364 CG LYS A 24 12.235 2.478 8.501 1.00 0.00 C ATOM 365 CD LYS A 24 12.689 2.519 9.961 1.00 0.00 C ATOM 366 CE LYS A 24 11.585 1.947 10.852 1.00 0.00 C ATOM 367 NZ LYS A 24 11.902 0.497 10.969 1.00 0.00 N ATOM 0 H LYS A 24 10.971 2.620 6.634 1.00 0.00 H new ATOM 0 HA LYS A 24 13.283 0.891 6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.988 0.719 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.682 0.365 8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.989 2.938 7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.318 3.055 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.606 1.943 10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.914 3.544 10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.576 2.430 11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.601 2.102 10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.789 0.196 11.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.256 -0.049 10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.883 0.331 10.667 1.00 0.00 H new ATOM 381 N ASP A 25 10.491 -0.368 5.429 1.00 0.00 N ATOM 382 CA ASP A 25 9.874 -1.618 4.898 1.00 0.00 C ATOM 383 C ASP A 25 10.757 -2.213 3.797 1.00 0.00 C ATOM 384 O ASP A 25 10.735 -3.401 3.544 1.00 0.00 O ATOM 385 CB ASP A 25 8.526 -1.179 4.327 1.00 0.00 C ATOM 386 CG ASP A 25 7.396 -1.823 5.133 1.00 0.00 C ATOM 387 OD1 ASP A 25 7.620 -2.887 5.686 1.00 0.00 O ATOM 388 OD2 ASP A 25 6.325 -1.240 5.183 1.00 0.00 O ATOM 0 H ASP A 25 9.955 0.485 5.267 1.00 0.00 H new ATOM 0 HA ASP A 25 9.761 -2.385 5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.440 -0.093 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.451 -1.470 3.279 1.00 0.00 H new ATOM 393 N GLY A 26 11.532 -1.395 3.140 1.00 0.00 N ATOM 394 CA GLY A 26 12.414 -1.912 2.056 1.00 0.00 C ATOM 395 C GLY A 26 12.454 -0.901 0.908 1.00 0.00 C ATOM 396 O GLY A 26 13.474 -0.305 0.631 1.00 0.00 O ATOM 0 H GLY A 26 11.593 -0.391 3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.420 -2.082 2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.043 -2.872 1.697 1.00 0.00 H new ATOM 400 N ASP A 27 11.350 -0.703 0.240 1.00 0.00 N ATOM 401 CA ASP A 27 11.327 0.271 -0.888 1.00 0.00 C ATOM 402 C ASP A 27 9.945 0.924 -0.994 1.00 0.00 C ATOM 403 O ASP A 27 8.929 0.261 -0.932 1.00 0.00 O ATOM 404 CB ASP A 27 11.626 -0.561 -2.136 1.00 0.00 C ATOM 405 CG ASP A 27 12.554 0.224 -3.064 1.00 0.00 C ATOM 406 OD1 ASP A 27 12.671 1.424 -2.876 1.00 0.00 O ATOM 407 OD2 ASP A 27 13.133 -0.388 -3.948 1.00 0.00 O ATOM 0 H ASP A 27 10.464 -1.173 0.426 1.00 0.00 H new ATOM 0 HA ASP A 27 12.049 1.077 -0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.091 -1.505 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.698 -0.805 -2.654 1.00 0.00 H new ATOM 412 N LYS A 28 9.900 2.219 -1.151 1.00 0.00 N ATOM 413 CA LYS A 28 8.582 2.908 -1.258 1.00 0.00 C ATOM 414 C LYS A 28 8.524 3.741 -2.548 1.00 0.00 C ATOM 415 O LYS A 28 8.128 3.249 -3.586 1.00 0.00 O ATOM 416 CB LYS A 28 8.495 3.787 -0.006 1.00 0.00 C ATOM 417 CG LYS A 28 7.070 4.326 0.144 1.00 0.00 C ATOM 418 CD LYS A 28 6.296 3.447 1.129 1.00 0.00 C ATOM 419 CE LYS A 28 4.825 3.873 1.152 1.00 0.00 C ATOM 420 NZ LYS A 28 4.374 3.655 2.558 1.00 0.00 N ATOM 0 H LYS A 28 10.716 2.828 -1.210 1.00 0.00 H new ATOM 0 HA LYS A 28 7.743 2.214 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.771 3.209 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.202 4.614 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.094 5.356 0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.569 4.335 -0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.377 2.400 0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.726 3.535 2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.713 4.917 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.233 3.282 0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.407 4.020 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.388 2.638 2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.012 4.155 3.209 1.00 0.00 H new ATOM 434 N VAL A 29 8.918 4.987 -2.508 1.00 0.00 N ATOM 435 CA VAL A 29 8.880 5.813 -3.753 1.00 0.00 C ATOM 436 C VAL A 29 10.310 6.020 -4.272 1.00 0.00 C ATOM 437 O VAL A 29 11.243 6.164 -3.506 1.00 0.00 O ATOM 438 CB VAL A 29 8.205 7.157 -3.371 1.00 0.00 C ATOM 439 CG1 VAL A 29 7.358 6.996 -2.102 1.00 0.00 C ATOM 440 CG2 VAL A 29 9.257 8.247 -3.127 1.00 0.00 C ATOM 0 H VAL A 29 9.262 5.466 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 29 8.317 5.330 -4.552 1.00 0.00 H new ATOM 0 HB VAL A 29 7.565 7.450 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.893 7.950 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.583 6.249 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.995 6.675 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.760 9.180 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.915 7.942 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.845 8.395 -4.033 1.00 0.00 H new ATOM 450 N VAL A 30 10.493 6.027 -5.562 1.00 0.00 N ATOM 451 CA VAL A 30 11.865 6.216 -6.114 1.00 0.00 C ATOM 452 C VAL A 30 11.836 7.151 -7.326 1.00 0.00 C ATOM 453 O VAL A 30 11.717 6.718 -8.455 1.00 0.00 O ATOM 454 CB VAL A 30 12.315 4.816 -6.525 1.00 0.00 C ATOM 455 CG1 VAL A 30 12.432 3.938 -5.279 1.00 0.00 C ATOM 456 CG2 VAL A 30 11.285 4.207 -7.480 1.00 0.00 C ATOM 0 H VAL A 30 9.756 5.911 -6.257 1.00 0.00 H new ATOM 0 HA VAL A 30 12.541 6.670 -5.390 1.00 0.00 H new ATOM 0 HB VAL A 30 13.282 4.876 -7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.753 2.937 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.163 4.371 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.463 3.879 -4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.607 3.208 -7.773 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.318 4.145 -6.981 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.196 4.834 -8.367 1.00 0.00 H new ATOM 466 N ALA A 31 11.952 8.430 -7.098 1.00 0.00 N ATOM 467 CA ALA A 31 11.940 9.398 -8.234 1.00 0.00 C ATOM 468 C ALA A 31 10.875 9.007 -9.262 1.00 0.00 C ATOM 469 O ALA A 31 11.183 8.662 -10.386 1.00 0.00 O ATOM 470 CB ALA A 31 13.337 9.302 -8.847 1.00 0.00 C ATOM 0 H ALA A 31 12.055 8.848 -6.173 1.00 0.00 H new ATOM 0 HA ALA A 31 11.703 10.411 -7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.411 9.986 -9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.082 9.569 -8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.515 8.282 -9.188 1.00 0.00 H new ATOM 476 N GLY A 32 9.623 9.059 -8.891 1.00 0.00 N ATOM 477 CA GLY A 32 8.551 8.689 -9.859 1.00 0.00 C ATOM 478 C GLY A 32 7.168 8.938 -9.249 1.00 0.00 C ATOM 479 O GLY A 32 6.198 8.313 -9.630 1.00 0.00 O ATOM 0 H GLY A 32 9.298 9.340 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.662 9.272 -10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.649 7.639 -10.136 1.00 0.00 H new ATOM 483 N ASP A 33 7.057 9.846 -8.315 1.00 0.00 N ATOM 484 CA ASP A 33 5.719 10.117 -7.711 1.00 0.00 C ATOM 485 C ASP A 33 4.969 11.155 -8.553 1.00 0.00 C ATOM 486 O ASP A 33 5.569 11.953 -9.246 1.00 0.00 O ATOM 487 CB ASP A 33 6.011 10.660 -6.311 1.00 0.00 C ATOM 488 CG ASP A 33 6.654 9.562 -5.462 1.00 0.00 C ATOM 489 OD1 ASP A 33 7.120 8.592 -6.038 1.00 0.00 O ATOM 490 OD2 ASP A 33 6.671 9.710 -4.251 1.00 0.00 O ATOM 0 H ASP A 33 7.826 10.406 -7.947 1.00 0.00 H new ATOM 0 HA ASP A 33 5.093 9.226 -7.670 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.676 11.521 -6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.089 11.003 -5.843 1.00 0.00 H new ATOM 495 N GLU A 34 3.666 11.147 -8.504 1.00 0.00 N ATOM 496 CA GLU A 34 2.881 12.131 -9.307 1.00 0.00 C ATOM 497 C GLU A 34 1.526 12.390 -8.646 1.00 0.00 C ATOM 498 O GLU A 34 0.819 11.470 -8.289 1.00 0.00 O ATOM 499 CB GLU A 34 2.693 11.460 -10.671 1.00 0.00 C ATOM 500 CG GLU A 34 2.048 12.445 -11.649 1.00 0.00 C ATOM 501 CD GLU A 34 2.785 12.392 -12.988 1.00 0.00 C ATOM 502 OE1 GLU A 34 2.870 11.315 -13.554 1.00 0.00 O ATOM 503 OE2 GLU A 34 3.251 13.431 -13.427 1.00 0.00 O ATOM 0 H GLU A 34 3.109 10.502 -7.943 1.00 0.00 H new ATOM 0 HA GLU A 34 3.383 13.095 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.656 11.127 -11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.067 10.574 -10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.996 12.197 -11.791 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.085 13.455 -11.241 1.00 0.00 H new ATOM 510 N TRP A 35 1.154 13.632 -8.482 1.00 0.00 N ATOM 511 CA TRP A 35 -0.163 13.921 -7.845 1.00 0.00 C ATOM 512 C TRP A 35 -0.729 15.254 -8.334 1.00 0.00 C ATOM 513 O TRP A 35 -0.041 16.054 -8.935 1.00 0.00 O ATOM 514 CB TRP A 35 0.111 13.941 -6.336 1.00 0.00 C ATOM 515 CG TRP A 35 0.727 15.237 -5.911 1.00 0.00 C ATOM 516 CD1 TRP A 35 0.067 16.237 -5.279 1.00 0.00 C ATOM 517 CD2 TRP A 35 2.110 15.683 -6.043 1.00 0.00 C ATOM 518 NE1 TRP A 35 0.952 17.264 -5.016 1.00 0.00 N ATOM 519 CE2 TRP A 35 2.224 16.973 -5.468 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.264 15.103 -6.601 1.00 0.00 C ATOM 521 CZ2 TRP A 35 3.442 17.659 -5.445 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.488 15.790 -6.582 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.578 17.064 -6.006 1.00 0.00 C ATOM 0 H TRP A 35 1.698 14.450 -8.758 1.00 0.00 H new ATOM 0 HA TRP A 35 -0.912 13.172 -8.101 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -0.821 13.784 -5.793 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.775 13.117 -6.074 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.982 16.232 -5.022 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.697 18.132 -4.545 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.208 14.121 -7.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.506 18.640 -4.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.366 15.333 -7.014 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.523 17.587 -5.995 1.00 0.00 H new ATOM 534 N LEU A 36 -1.991 15.488 -8.094 1.00 0.00 N ATOM 535 CA LEU A 36 -2.619 16.759 -8.553 1.00 0.00 C ATOM 536 C LEU A 36 -2.521 17.819 -7.460 1.00 0.00 C ATOM 537 O LEU A 36 -2.293 17.519 -6.305 1.00 0.00 O ATOM 538 CB LEU A 36 -4.081 16.403 -8.831 1.00 0.00 C ATOM 539 CG LEU A 36 -4.865 17.678 -9.148 1.00 0.00 C ATOM 540 CD1 LEU A 36 -4.360 18.278 -10.460 1.00 0.00 C ATOM 541 CD2 LEU A 36 -6.352 17.343 -9.280 1.00 0.00 C ATOM 0 H LEU A 36 -2.615 14.852 -7.598 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.127 17.168 -9.435 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.144 15.707 -9.667 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.515 15.902 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.724 18.399 -8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.920 19.186 -10.684 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.301 18.518 -10.366 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.499 17.558 -11.267 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.911 18.251 -9.506 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.492 16.621 -10.084 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.714 16.918 -8.344 1.00 0.00 H new ATOM 553 N PHE A 37 -2.686 19.060 -7.818 1.00 0.00 N ATOM 554 CA PHE A 37 -2.597 20.146 -6.806 1.00 0.00 C ATOM 555 C PHE A 37 -3.723 21.158 -7.028 1.00 0.00 C ATOM 556 O PHE A 37 -3.745 21.873 -8.012 1.00 0.00 O ATOM 557 CB PHE A 37 -1.228 20.786 -7.048 1.00 0.00 C ATOM 558 CG PHE A 37 -0.916 21.815 -5.977 1.00 0.00 C ATOM 559 CD1 PHE A 37 -1.867 22.149 -5.001 1.00 0.00 C ATOM 560 CD2 PHE A 37 0.336 22.442 -5.970 1.00 0.00 C ATOM 561 CE1 PHE A 37 -1.563 23.108 -4.027 1.00 0.00 C ATOM 562 CE2 PHE A 37 0.637 23.399 -4.994 1.00 0.00 C ATOM 563 CZ PHE A 37 -0.313 23.733 -4.025 1.00 0.00 C ATOM 0 H PHE A 37 -2.879 19.370 -8.770 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.700 19.783 -5.783 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.457 20.015 -7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.212 21.260 -8.029 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.833 21.667 -5.001 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.071 22.187 -6.719 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.296 23.365 -3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.604 23.880 -4.990 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.081 24.474 -3.274 1.00 0.00 H new ATOM 573 N GLU A 38 -4.654 21.220 -6.114 1.00 0.00 N ATOM 574 CA GLU A 38 -5.781 22.184 -6.250 1.00 0.00 C ATOM 575 C GLU A 38 -5.359 23.554 -5.714 1.00 0.00 C ATOM 576 O GLU A 38 -4.673 23.657 -4.717 1.00 0.00 O ATOM 577 CB GLU A 38 -6.905 21.596 -5.399 1.00 0.00 C ATOM 578 CG GLU A 38 -8.082 22.570 -5.364 1.00 0.00 C ATOM 579 CD GLU A 38 -8.260 23.101 -3.942 1.00 0.00 C ATOM 580 OE1 GLU A 38 -8.071 22.331 -3.015 1.00 0.00 O ATOM 581 OE2 GLU A 38 -8.582 24.270 -3.803 1.00 0.00 O ATOM 0 H GLU A 38 -4.681 20.641 -5.275 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.089 22.326 -7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.224 20.638 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.547 21.405 -4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.905 23.396 -6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.992 22.069 -5.694 1.00 0.00 H new ATOM 588 N GLY A 39 -5.761 24.606 -6.369 1.00 0.00 N ATOM 589 CA GLY A 39 -5.380 25.968 -5.902 1.00 0.00 C ATOM 590 C GLY A 39 -3.849 26.113 -5.867 1.00 0.00 C ATOM 591 O GLY A 39 -3.314 26.702 -4.949 1.00 0.00 O ATOM 0 H GLY A 39 -6.338 24.582 -7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.808 26.720 -6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.792 26.147 -4.909 1.00 0.00 H new ATOM 595 N PRO A 40 -3.186 25.582 -6.869 1.00 0.00 N ATOM 596 CA PRO A 40 -1.706 25.678 -6.928 1.00 0.00 C ATOM 597 C PRO A 40 -1.302 27.093 -7.335 1.00 0.00 C ATOM 598 O PRO A 40 -0.498 27.737 -6.690 1.00 0.00 O ATOM 599 CB PRO A 40 -1.322 24.681 -8.013 1.00 0.00 C ATOM 600 CG PRO A 40 -2.532 24.568 -8.885 1.00 0.00 C ATOM 601 CD PRO A 40 -3.734 24.856 -8.023 1.00 0.00 C ATOM 0 HA PRO A 40 -1.219 25.468 -5.976 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.459 25.029 -8.580 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.054 23.716 -7.584 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.476 25.274 -9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.601 23.571 -9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.472 25.455 -8.556 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.232 23.937 -7.715 1.00 0.00 H new ATOM 609 N GLY A 41 -1.870 27.579 -8.401 1.00 0.00 N ATOM 610 CA GLY A 41 -1.551 28.955 -8.861 1.00 0.00 C ATOM 611 C GLY A 41 -0.054 29.227 -8.740 1.00 0.00 C ATOM 612 O GLY A 41 0.717 28.935 -9.633 1.00 0.00 O ATOM 0 H GLY A 41 -2.546 27.078 -8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.867 29.081 -9.897 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.107 29.681 -8.268 1.00 0.00 H new ATOM 616 N THR A 42 0.359 29.805 -7.648 1.00 0.00 N ATOM 617 CA THR A 42 1.804 30.128 -7.473 1.00 0.00 C ATOM 618 C THR A 42 2.628 28.892 -7.085 1.00 0.00 C ATOM 619 O THR A 42 3.724 29.014 -6.577 1.00 0.00 O ATOM 620 CB THR A 42 1.849 31.176 -6.359 1.00 0.00 C ATOM 621 OG1 THR A 42 3.195 31.371 -5.952 1.00 0.00 O ATOM 622 CG2 THR A 42 1.017 30.704 -5.167 1.00 0.00 C ATOM 0 H THR A 42 -0.242 30.069 -6.867 1.00 0.00 H new ATOM 0 HA THR A 42 2.239 30.491 -8.404 1.00 0.00 H new ATOM 0 HB THR A 42 1.439 32.115 -6.730 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.771 30.720 -6.404 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.054 31.455 -4.378 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.017 30.557 -5.480 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.420 29.763 -4.792 1.00 0.00 H new ATOM 630 N TYR A 43 2.135 27.707 -7.330 1.00 0.00 N ATOM 631 CA TYR A 43 2.935 26.501 -6.981 1.00 0.00 C ATOM 632 C TYR A 43 4.168 26.439 -7.891 1.00 0.00 C ATOM 633 O TYR A 43 4.063 26.217 -9.080 1.00 0.00 O ATOM 634 CB TYR A 43 1.989 25.321 -7.245 1.00 0.00 C ATOM 635 CG TYR A 43 2.776 24.096 -7.664 1.00 0.00 C ATOM 636 CD1 TYR A 43 3.384 23.283 -6.700 1.00 0.00 C ATOM 637 CD2 TYR A 43 2.902 23.783 -9.022 1.00 0.00 C ATOM 638 CE1 TYR A 43 4.113 22.155 -7.095 1.00 0.00 C ATOM 639 CE2 TYR A 43 3.631 22.655 -9.418 1.00 0.00 C ATOM 640 CZ TYR A 43 4.236 21.840 -8.454 1.00 0.00 C ATOM 641 OH TYR A 43 4.955 20.728 -8.842 1.00 0.00 O ATOM 0 H TYR A 43 1.224 27.525 -7.751 1.00 0.00 H new ATOM 0 HA TYR A 43 3.295 26.500 -5.952 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.413 25.101 -6.346 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.275 25.587 -8.025 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.291 23.526 -5.652 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.436 24.412 -9.766 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.581 21.527 -6.351 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.726 22.414 -10.466 1.00 0.00 H new ATOM 0 HH TYR A 43 4.940 20.654 -9.819 1.00 0.00 H new ATOM 651 N ILE A 44 5.333 26.644 -7.340 1.00 0.00 N ATOM 652 CA ILE A 44 6.569 26.608 -8.174 1.00 0.00 C ATOM 653 C ILE A 44 7.145 25.192 -8.222 1.00 0.00 C ATOM 654 O ILE A 44 7.124 24.474 -7.241 1.00 0.00 O ATOM 655 CB ILE A 44 7.541 27.559 -7.479 1.00 0.00 C ATOM 656 CG1 ILE A 44 6.902 28.944 -7.366 1.00 0.00 C ATOM 657 CG2 ILE A 44 8.830 27.658 -8.297 1.00 0.00 C ATOM 658 CD1 ILE A 44 6.550 29.462 -8.762 1.00 0.00 C ATOM 0 H ILE A 44 5.483 26.835 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 44 6.375 26.901 -9.206 1.00 0.00 H new ATOM 0 HB ILE A 44 7.771 27.181 -6.483 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.005 28.892 -6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.588 29.633 -6.874 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.524 28.337 -7.801 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.285 26.671 -8.380 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.601 28.037 -9.293 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.095 30.449 -8.680 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.456 29.529 -9.364 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.848 28.777 -9.238 1.00 0.00 H new ATOM 670 N PRO A 45 7.645 24.843 -9.375 1.00 0.00 N ATOM 671 CA PRO A 45 8.245 23.502 -9.576 1.00 0.00 C ATOM 672 C PRO A 45 9.617 23.424 -8.905 1.00 0.00 C ATOM 673 O PRO A 45 10.584 23.985 -9.379 1.00 0.00 O ATOM 674 CB PRO A 45 8.381 23.395 -11.091 1.00 0.00 C ATOM 675 CG PRO A 45 8.454 24.807 -11.578 1.00 0.00 C ATOM 676 CD PRO A 45 7.697 25.660 -10.592 1.00 0.00 C ATOM 0 HA PRO A 45 7.648 22.698 -9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.275 22.836 -11.368 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.530 22.871 -11.527 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.491 25.135 -11.653 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.020 24.893 -12.574 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.204 26.608 -10.414 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.697 25.897 -10.956 1.00 0.00 H new ATOM 684 N ARG A 46 9.710 22.728 -7.806 1.00 0.00 N ATOM 685 CA ARG A 46 11.024 22.610 -7.110 1.00 0.00 C ATOM 686 C ARG A 46 11.836 21.468 -7.726 1.00 0.00 C ATOM 687 O ARG A 46 11.291 20.482 -8.178 1.00 0.00 O ATOM 688 CB ARG A 46 10.675 22.299 -5.653 1.00 0.00 C ATOM 689 CG ARG A 46 11.006 23.507 -4.777 1.00 0.00 C ATOM 690 CD ARG A 46 11.582 23.029 -3.442 1.00 0.00 C ATOM 691 NE ARG A 46 12.008 24.272 -2.741 1.00 0.00 N ATOM 692 CZ ARG A 46 13.246 24.676 -2.820 1.00 0.00 C ATOM 693 NH1 ARG A 46 14.165 24.119 -2.077 1.00 0.00 N ATOM 694 NH2 ARG A 46 13.567 25.639 -3.640 1.00 0.00 N ATOM 0 H ARG A 46 8.936 22.237 -7.360 1.00 0.00 H new ATOM 0 HA ARG A 46 11.626 23.515 -7.196 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.617 22.054 -5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.233 21.427 -5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.724 24.152 -5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.109 24.102 -4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.837 22.484 -2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.424 22.353 -3.594 1.00 0.00 H new ATOM 0 HE ARG A 46 11.331 24.808 -2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.915 23.367 -1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.133 24.436 -2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.850 26.076 -4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.535 25.955 -3.702 1.00 0.00 H new ATOM 708 N LYS A 47 13.135 21.590 -7.745 1.00 0.00 N ATOM 709 CA LYS A 47 13.973 20.503 -8.332 1.00 0.00 C ATOM 710 C LYS A 47 13.461 19.138 -7.863 1.00 0.00 C ATOM 711 O LYS A 47 13.647 18.134 -8.522 1.00 0.00 O ATOM 712 CB LYS A 47 15.385 20.757 -7.802 1.00 0.00 C ATOM 713 CG LYS A 47 16.317 19.639 -8.277 1.00 0.00 C ATOM 714 CD LYS A 47 16.646 18.714 -7.103 1.00 0.00 C ATOM 715 CE LYS A 47 16.461 17.256 -7.532 1.00 0.00 C ATOM 716 NZ LYS A 47 17.821 16.795 -7.933 1.00 0.00 N ATOM 0 H LYS A 47 13.652 22.391 -7.382 1.00 0.00 H new ATOM 0 HA LYS A 47 13.944 20.500 -9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.749 21.722 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.374 20.798 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.843 19.072 -9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 47 17.233 20.064 -8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.671 18.879 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.998 18.940 -6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 47 16.064 16.652 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.757 17.175 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.775 15.802 -8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.170 17.384 -8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.468 16.877 -7.123 1.00 0.00 H new ATOM 730 N GLU A 48 12.819 19.095 -6.728 1.00 0.00 N ATOM 731 CA GLU A 48 12.294 17.797 -6.214 1.00 0.00 C ATOM 732 C GLU A 48 11.255 17.217 -7.181 1.00 0.00 C ATOM 733 O GLU A 48 11.286 16.048 -7.506 1.00 0.00 O ATOM 734 CB GLU A 48 11.644 18.139 -4.874 1.00 0.00 C ATOM 735 CG GLU A 48 12.569 17.709 -3.733 1.00 0.00 C ATOM 736 CD GLU A 48 13.197 18.947 -3.090 1.00 0.00 C ATOM 737 OE1 GLU A 48 13.703 19.780 -3.825 1.00 0.00 O ATOM 738 OE2 GLU A 48 13.163 19.041 -1.874 1.00 0.00 O ATOM 0 H GLU A 48 12.635 19.903 -6.133 1.00 0.00 H new ATOM 0 HA GLU A 48 13.079 17.048 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.450 19.210 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.682 17.635 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.007 17.145 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.349 17.048 -4.112 1.00 0.00 H new ATOM 745 N VAL A 49 10.331 18.023 -7.638 1.00 0.00 N ATOM 746 CA VAL A 49 9.291 17.501 -8.578 1.00 0.00 C ATOM 747 C VAL A 49 9.282 18.320 -9.874 1.00 0.00 C ATOM 748 O VAL A 49 9.955 19.326 -9.993 1.00 0.00 O ATOM 749 CB VAL A 49 7.946 17.629 -7.833 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.150 17.412 -6.330 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.343 19.022 -8.060 1.00 0.00 C ATOM 0 H VAL A 49 10.251 19.013 -7.404 1.00 0.00 H new ATOM 0 HA VAL A 49 9.486 16.467 -8.863 1.00 0.00 H new ATOM 0 HB VAL A 49 7.266 16.871 -8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.193 17.505 -5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.559 16.416 -6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.843 18.160 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.394 19.099 -7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.030 19.781 -7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.176 19.177 -9.126 1.00 0.00 H new ATOM 761 N GLU A 50 8.520 17.897 -10.845 1.00 0.00 N ATOM 762 CA GLU A 50 8.459 18.647 -12.132 1.00 0.00 C ATOM 763 C GLU A 50 7.007 18.789 -12.593 1.00 0.00 C ATOM 764 O GLU A 50 6.235 17.853 -12.535 1.00 0.00 O ATOM 765 CB GLU A 50 9.244 17.791 -13.128 1.00 0.00 C ATOM 766 CG GLU A 50 10.734 17.838 -12.785 1.00 0.00 C ATOM 767 CD GLU A 50 11.512 18.453 -13.951 1.00 0.00 C ATOM 768 OE1 GLU A 50 10.925 18.623 -15.008 1.00 0.00 O ATOM 769 OE2 GLU A 50 12.682 18.743 -13.768 1.00 0.00 O ATOM 0 H GLU A 50 7.935 17.062 -10.803 1.00 0.00 H new ATOM 0 HA GLU A 50 8.869 19.653 -12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.886 16.762 -13.099 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.083 18.156 -14.142 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.891 18.426 -11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.102 16.833 -12.580 1.00 0.00 H new ATOM 776 N VAL A 51 6.630 19.946 -13.064 1.00 0.00 N ATOM 777 CA VAL A 51 5.229 20.127 -13.539 1.00 0.00 C ATOM 778 C VAL A 51 4.929 19.096 -14.627 1.00 0.00 C ATOM 779 O VAL A 51 5.756 18.819 -15.473 1.00 0.00 O ATOM 780 CB VAL A 51 5.176 21.546 -14.105 1.00 0.00 C ATOM 781 CG1 VAL A 51 3.721 21.941 -14.359 1.00 0.00 C ATOM 782 CG2 VAL A 51 5.798 22.517 -13.098 1.00 0.00 C ATOM 0 H VAL A 51 7.227 20.769 -13.140 1.00 0.00 H new ATOM 0 HA VAL A 51 4.493 19.990 -12.747 1.00 0.00 H new ATOM 0 HB VAL A 51 5.731 21.585 -15.042 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.684 22.953 -14.763 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.275 21.249 -15.073 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.165 21.903 -13.422 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.762 23.530 -13.499 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.241 22.477 -12.162 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.835 22.236 -12.915 1.00 0.00 H new ATOM 792 N VAL A 52 3.763 18.512 -14.610 1.00 0.00 N ATOM 793 CA VAL A 52 3.438 17.490 -15.644 1.00 0.00 C ATOM 794 C VAL A 52 2.187 17.894 -16.435 1.00 0.00 C ATOM 795 O VAL A 52 2.192 17.908 -17.650 1.00 0.00 O ATOM 796 CB VAL A 52 3.197 16.201 -14.859 1.00 0.00 C ATOM 797 CG1 VAL A 52 2.978 15.046 -15.834 1.00 0.00 C ATOM 798 CG2 VAL A 52 4.419 15.900 -13.986 1.00 0.00 C ATOM 0 H VAL A 52 3.026 18.696 -13.930 1.00 0.00 H new ATOM 0 HA VAL A 52 4.237 17.378 -16.377 1.00 0.00 H new ATOM 0 HB VAL A 52 2.316 16.320 -14.228 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.806 14.126 -15.275 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.111 15.258 -16.460 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.860 14.929 -16.463 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.248 14.981 -13.426 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.298 15.781 -14.619 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.581 16.724 -13.291 1.00 0.00 H new ATOM 808 N GLU A 53 1.115 18.221 -15.763 1.00 0.00 N ATOM 809 CA GLU A 53 -0.128 18.620 -16.494 1.00 0.00 C ATOM 810 C GLU A 53 -0.880 19.696 -15.707 1.00 0.00 C ATOM 811 O GLU A 53 -0.608 19.937 -14.549 1.00 0.00 O ATOM 812 CB GLU A 53 -1.003 17.359 -16.604 1.00 0.00 C ATOM 813 CG GLU A 53 -0.183 16.089 -16.354 1.00 0.00 C ATOM 814 CD GLU A 53 -1.071 14.861 -16.562 1.00 0.00 C ATOM 815 OE1 GLU A 53 -2.032 14.718 -15.826 1.00 0.00 O ATOM 816 OE2 GLU A 53 -0.775 14.085 -17.456 1.00 0.00 O ATOM 0 H GLU A 53 1.044 18.230 -14.746 1.00 0.00 H new ATOM 0 HA GLU A 53 0.114 19.024 -17.477 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.819 17.416 -15.883 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.456 17.313 -17.594 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.669 16.054 -17.032 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.217 16.095 -15.340 1.00 0.00 H new ATOM 823 N ILE A 54 -1.836 20.334 -16.327 1.00 0.00 N ATOM 824 CA ILE A 54 -2.624 21.384 -15.615 1.00 0.00 C ATOM 825 C ILE A 54 -4.115 21.178 -15.902 1.00 0.00 C ATOM 826 O ILE A 54 -4.517 21.002 -17.035 1.00 0.00 O ATOM 827 CB ILE A 54 -2.155 22.740 -16.168 1.00 0.00 C ATOM 828 CG1 ILE A 54 -0.722 22.643 -16.713 1.00 0.00 C ATOM 829 CG2 ILE A 54 -2.191 23.777 -15.043 1.00 0.00 C ATOM 830 CD1 ILE A 54 0.253 22.409 -15.558 1.00 0.00 C ATOM 0 H ILE A 54 -2.106 20.174 -17.297 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.476 21.337 -14.536 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.819 23.034 -16.981 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.651 21.828 -17.433 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.461 23.559 -17.242 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.860 24.742 -15.427 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.209 23.867 -14.664 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.530 23.461 -14.236 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.269 22.341 -15.947 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.189 23.239 -14.854 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.003 21.480 -15.048 1.00 0.00 H new ATOM 842 N ILE A 55 -4.937 21.181 -14.889 1.00 0.00 N ATOM 843 CA ILE A 55 -6.397 20.967 -15.119 1.00 0.00 C ATOM 844 C ILE A 55 -7.215 22.194 -14.704 1.00 0.00 C ATOM 845 O ILE A 55 -6.891 22.887 -13.756 1.00 0.00 O ATOM 846 CB ILE A 55 -6.771 19.748 -14.267 1.00 0.00 C ATOM 847 CG1 ILE A 55 -8.143 19.234 -14.703 1.00 0.00 C ATOM 848 CG2 ILE A 55 -6.817 20.113 -12.781 1.00 0.00 C ATOM 849 CD1 ILE A 55 -8.556 18.063 -13.813 1.00 0.00 C ATOM 0 H ILE A 55 -4.665 21.321 -13.916 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.612 20.806 -16.175 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.014 18.977 -14.411 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.881 20.034 -14.635 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.110 18.918 -15.746 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.084 19.232 -12.198 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.838 20.474 -12.465 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.561 20.893 -12.621 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.534 17.697 -14.124 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.823 17.261 -13.903 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.606 18.394 -12.776 1.00 0.00 H new ATOM 861 N GLN A 56 -8.282 22.456 -15.411 1.00 0.00 N ATOM 862 CA GLN A 56 -9.144 23.626 -15.073 1.00 0.00 C ATOM 863 C GLN A 56 -10.438 23.144 -14.410 1.00 0.00 C ATOM 864 O GLN A 56 -10.639 21.963 -14.209 1.00 0.00 O ATOM 865 CB GLN A 56 -9.446 24.297 -16.414 1.00 0.00 C ATOM 866 CG GLN A 56 -8.193 25.016 -16.922 1.00 0.00 C ATOM 867 CD GLN A 56 -7.185 23.988 -17.439 1.00 0.00 C ATOM 868 OE1 GLN A 56 -7.448 23.292 -18.401 1.00 0.00 O ATOM 869 NE2 GLN A 56 -6.035 23.861 -16.837 1.00 0.00 N ATOM 0 H GLN A 56 -8.595 21.907 -16.212 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.661 24.312 -14.377 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.770 23.552 -17.140 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.265 25.008 -16.300 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.458 25.712 -17.718 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.748 25.604 -16.119 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.814 24.445 -16.030 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.356 23.178 -17.173 1.00 0.00 H new ATOM 878 N ALA A 57 -11.311 24.046 -14.059 1.00 0.00 N ATOM 879 CA ALA A 57 -12.583 23.631 -13.398 1.00 0.00 C ATOM 880 C ALA A 57 -13.728 23.538 -14.411 1.00 0.00 C ATOM 881 O ALA A 57 -13.899 24.407 -15.242 1.00 0.00 O ATOM 882 CB ALA A 57 -12.873 24.729 -12.379 1.00 0.00 C ATOM 0 H ALA A 57 -11.201 25.050 -14.200 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.493 22.646 -12.939 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.796 24.498 -11.848 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.050 24.791 -11.666 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.980 25.684 -12.894 1.00 0.00 H new ATOM 888 N THR A 58 -14.522 22.498 -14.336 1.00 0.00 N ATOM 889 CA THR A 58 -15.665 22.356 -15.288 1.00 0.00 C ATOM 890 C THR A 58 -16.399 21.024 -15.077 1.00 0.00 C ATOM 891 O THR A 58 -16.523 20.235 -15.994 1.00 0.00 O ATOM 892 CB THR A 58 -15.034 22.383 -16.684 1.00 0.00 C ATOM 893 OG1 THR A 58 -16.040 22.140 -17.657 1.00 0.00 O ATOM 894 CG2 THR A 58 -13.959 21.299 -16.783 1.00 0.00 C ATOM 0 H THR A 58 -14.427 21.743 -13.657 1.00 0.00 H new ATOM 0 HA THR A 58 -16.399 23.149 -15.145 1.00 0.00 H new ATOM 0 HB THR A 58 -14.580 23.358 -16.859 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.475 21.282 -17.471 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.512 21.320 -17.777 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.188 21.481 -16.034 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.410 20.322 -16.609 1.00 0.00 H new ATOM 902 N ILE A 59 -16.900 20.756 -13.897 1.00 0.00 N ATOM 903 CA ILE A 59 -17.626 19.463 -13.701 1.00 0.00 C ATOM 904 C ILE A 59 -18.283 19.366 -12.313 1.00 0.00 C ATOM 905 O ILE A 59 -19.440 19.011 -12.200 1.00 0.00 O ATOM 906 CB ILE A 59 -16.562 18.375 -13.891 1.00 0.00 C ATOM 907 CG1 ILE A 59 -17.245 17.076 -14.322 1.00 0.00 C ATOM 908 CG2 ILE A 59 -15.802 18.141 -12.582 1.00 0.00 C ATOM 909 CD1 ILE A 59 -16.721 16.652 -15.694 1.00 0.00 C ATOM 0 H ILE A 59 -16.841 21.361 -13.078 1.00 0.00 H new ATOM 0 HA ILE A 59 -18.449 19.362 -14.409 1.00 0.00 H new ATOM 0 HB ILE A 59 -15.855 18.696 -14.656 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.053 16.292 -13.590 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -18.325 17.217 -14.362 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.050 17.366 -12.731 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.314 19.066 -12.274 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.500 17.824 -11.807 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -17.209 15.726 -16.000 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -16.936 17.433 -16.423 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.644 16.494 -15.639 1.00 0.00 H new ATOM 921 N ILE A 60 -17.570 19.659 -11.255 1.00 0.00 N ATOM 922 CA ILE A 60 -18.192 19.552 -9.898 1.00 0.00 C ATOM 923 C ILE A 60 -19.134 20.733 -9.650 1.00 0.00 C ATOM 924 O ILE A 60 -19.204 21.655 -10.435 1.00 0.00 O ATOM 925 CB ILE A 60 -17.021 19.571 -8.912 1.00 0.00 C ATOM 926 CG1 ILE A 60 -16.222 18.272 -9.050 1.00 0.00 C ATOM 927 CG2 ILE A 60 -17.552 19.683 -7.481 1.00 0.00 C ATOM 928 CD1 ILE A 60 -14.997 18.318 -8.135 1.00 0.00 C ATOM 0 H ILE A 60 -16.597 19.964 -11.269 1.00 0.00 H new ATOM 0 HA ILE A 60 -18.790 18.647 -9.791 1.00 0.00 H new ATOM 0 HB ILE A 60 -16.381 20.426 -9.130 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.849 17.419 -8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.909 18.135 -10.085 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.715 19.696 -6.782 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -18.126 20.604 -7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -18.193 18.829 -7.263 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.432 17.392 -8.237 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -14.365 19.161 -8.415 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.320 18.434 -7.100 1.00 0.00 H new ATOM 940 N ARG A 61 -19.868 20.711 -8.570 1.00 0.00 N ATOM 941 CA ARG A 61 -20.806 21.835 -8.285 1.00 0.00 C ATOM 942 C ARG A 61 -20.413 22.536 -6.981 1.00 0.00 C ATOM 943 O ARG A 61 -19.395 22.241 -6.388 1.00 0.00 O ATOM 944 CB ARG A 61 -22.181 21.181 -8.161 1.00 0.00 C ATOM 945 CG ARG A 61 -22.537 20.498 -9.485 1.00 0.00 C ATOM 946 CD ARG A 61 -23.985 20.006 -9.441 1.00 0.00 C ATOM 947 NE ARG A 61 -23.962 18.687 -10.133 1.00 0.00 N ATOM 948 CZ ARG A 61 -24.139 18.624 -11.424 1.00 0.00 C ATOM 949 NH1 ARG A 61 -25.041 19.373 -11.998 1.00 0.00 N ATOM 950 NH2 ARG A 61 -23.416 17.807 -12.143 1.00 0.00 N ATOM 0 H ARG A 61 -19.859 19.965 -7.874 1.00 0.00 H new ATOM 0 HA ARG A 61 -20.791 22.597 -9.065 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -22.178 20.451 -7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -22.932 21.931 -7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -22.405 21.196 -10.312 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -21.864 19.660 -9.665 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -24.338 19.908 -8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -24.655 20.704 -9.943 1.00 0.00 H new ATOM 0 HE ARG A 61 -23.808 17.833 -9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -25.608 20.008 -11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -25.178 19.323 -13.007 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -22.713 17.219 -11.695 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.554 17.757 -13.152 1.00 0.00 H new ATOM 964 N GLN A 62 -21.207 23.471 -6.536 1.00 0.00 N ATOM 965 CA GLN A 62 -20.873 24.200 -5.277 1.00 0.00 C ATOM 966 C GLN A 62 -21.237 23.364 -4.047 1.00 0.00 C ATOM 967 O GLN A 62 -20.616 23.473 -3.008 1.00 0.00 O ATOM 968 CB GLN A 62 -21.720 25.473 -5.322 1.00 0.00 C ATOM 969 CG GLN A 62 -21.566 26.229 -4.001 1.00 0.00 C ATOM 970 CD GLN A 62 -22.605 27.348 -3.927 1.00 0.00 C ATOM 971 OE1 GLN A 62 -22.949 27.802 -2.854 1.00 0.00 O ATOM 972 NE2 GLN A 62 -23.125 27.814 -5.029 1.00 0.00 N ATOM 0 H GLN A 62 -22.073 23.763 -6.989 1.00 0.00 H new ATOM 0 HA GLN A 62 -19.806 24.412 -5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -21.406 26.103 -6.154 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -22.767 25.221 -5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -21.693 25.545 -3.162 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -20.562 26.646 -3.924 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -22.836 27.433 -5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -23.820 28.559 -4.990 1.00 0.00 H new ATOM 981 N ASN A 63 -22.241 22.538 -4.146 1.00 0.00 N ATOM 982 CA ASN A 63 -22.641 21.710 -2.973 1.00 0.00 C ATOM 983 C ASN A 63 -22.215 20.253 -3.171 1.00 0.00 C ATOM 984 O ASN A 63 -22.080 19.501 -2.229 1.00 0.00 O ATOM 985 CB ASN A 63 -24.167 21.822 -2.913 1.00 0.00 C ATOM 986 CG ASN A 63 -24.760 21.514 -4.290 1.00 0.00 C ATOM 987 OD1 ASN A 63 -24.865 20.368 -4.677 1.00 0.00 O ATOM 988 ND2 ASN A 63 -25.158 22.499 -5.050 1.00 0.00 N ATOM 0 H ASN A 63 -22.802 22.400 -4.987 1.00 0.00 H new ATOM 0 HA ASN A 63 -22.168 22.049 -2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -24.564 21.128 -2.172 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -24.456 22.825 -2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -25.557 22.305 -5.969 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -25.070 23.462 -4.725 1.00 0.00 H new ATOM 995 N GLN A 64 -22.004 19.843 -4.389 1.00 0.00 N ATOM 996 CA GLN A 64 -21.592 18.432 -4.633 1.00 0.00 C ATOM 997 C GLN A 64 -20.294 18.112 -3.891 1.00 0.00 C ATOM 998 O GLN A 64 -19.346 18.874 -3.912 1.00 0.00 O ATOM 999 CB GLN A 64 -21.390 18.329 -6.146 1.00 0.00 C ATOM 1000 CG GLN A 64 -20.593 17.064 -6.475 1.00 0.00 C ATOM 1001 CD GLN A 64 -21.306 15.844 -5.891 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -20.673 14.952 -5.361 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -22.605 15.766 -5.967 1.00 0.00 N ATOM 0 H GLN A 64 -22.098 20.421 -5.224 1.00 0.00 H new ATOM 0 HA GLN A 64 -22.337 17.723 -4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -22.356 18.304 -6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -20.862 19.209 -6.513 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -20.491 16.956 -7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -19.586 17.140 -6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -23.136 16.515 -6.412 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -23.091 14.956 -5.582 1.00 0.00 H new ATOM 1012 N ALA A 65 -20.245 16.982 -3.243 1.00 0.00 N ATOM 1013 CA ALA A 65 -19.012 16.589 -2.505 1.00 0.00 C ATOM 1014 C ALA A 65 -18.382 15.371 -3.184 1.00 0.00 C ATOM 1015 O ALA A 65 -19.068 14.437 -3.555 1.00 0.00 O ATOM 1016 CB ALA A 65 -19.487 16.239 -1.093 1.00 0.00 C ATOM 0 H ALA A 65 -21.010 16.310 -3.192 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.259 17.377 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.633 15.938 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.963 17.110 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -20.203 15.419 -1.143 1.00 0.00 H new ATOM 1022 N LEU A 66 -17.087 15.375 -3.367 1.00 0.00 N ATOM 1023 CA LEU A 66 -16.436 14.217 -4.044 1.00 0.00 C ATOM 1024 C LEU A 66 -15.320 13.626 -3.178 1.00 0.00 C ATOM 1025 O LEU A 66 -14.329 14.272 -2.898 1.00 0.00 O ATOM 1026 CB LEU A 66 -15.852 14.799 -5.330 1.00 0.00 C ATOM 1027 CG LEU A 66 -16.604 14.237 -6.539 1.00 0.00 C ATOM 1028 CD1 LEU A 66 -18.104 14.487 -6.372 1.00 0.00 C ATOM 1029 CD2 LEU A 66 -16.110 14.934 -7.807 1.00 0.00 C ATOM 0 H LEU A 66 -16.457 16.124 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 66 -17.143 13.408 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.928 15.886 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.792 14.554 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 66 -16.423 13.165 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.638 14.086 -7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -18.456 13.994 -5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.288 15.559 -6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.643 14.537 -8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.294 16.006 -7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.041 14.757 -7.927 1.00 0.00 H new ATOM 1041 N ARG A 67 -15.463 12.392 -2.773 1.00 0.00 N ATOM 1042 CA ARG A 67 -14.400 11.749 -1.950 1.00 0.00 C ATOM 1043 C ARG A 67 -13.487 10.932 -2.867 1.00 0.00 C ATOM 1044 O ARG A 67 -13.945 10.104 -3.629 1.00 0.00 O ATOM 1045 CB ARG A 67 -15.144 10.835 -0.972 1.00 0.00 C ATOM 1046 CG ARG A 67 -14.340 10.708 0.325 1.00 0.00 C ATOM 1047 CD ARG A 67 -15.287 10.386 1.484 1.00 0.00 C ATOM 1048 NE ARG A 67 -15.067 8.941 1.770 1.00 0.00 N ATOM 1049 CZ ARG A 67 -15.420 8.443 2.924 1.00 0.00 C ATOM 1050 NH1 ARG A 67 -16.657 8.541 3.327 1.00 0.00 N ATOM 1051 NH2 ARG A 67 -14.536 7.845 3.674 1.00 0.00 N ATOM 0 H ARG A 67 -16.270 11.803 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.778 12.471 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -16.133 11.241 -0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.292 9.851 -1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.590 9.923 0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -13.805 11.636 0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.065 11.000 2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -16.324 10.581 1.212 1.00 0.00 H new ATOM 0 HE ARG A 67 -14.641 8.341 1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.349 9.007 2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -16.932 8.152 4.229 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.569 7.767 3.359 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.812 7.456 4.576 1.00 0.00 H new ATOM 1065 N LEU A 68 -12.206 11.164 -2.819 1.00 0.00 N ATOM 1066 CA LEU A 68 -11.284 10.401 -3.712 1.00 0.00 C ATOM 1067 C LEU A 68 -10.286 9.588 -2.886 1.00 0.00 C ATOM 1068 O LEU A 68 -9.682 10.089 -1.958 1.00 0.00 O ATOM 1069 CB LEU A 68 -10.555 11.463 -4.535 1.00 0.00 C ATOM 1070 CG LEU A 68 -11.552 12.518 -5.017 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -10.804 13.623 -5.764 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -12.565 11.865 -5.959 1.00 0.00 C ATOM 0 H LEU A 68 -11.757 11.844 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.822 9.693 -4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.777 11.932 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.061 10.999 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.072 12.946 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.514 14.375 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.079 14.087 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.285 13.195 -6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.277 12.615 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.043 11.439 -6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -13.098 11.075 -5.429 1.00 0.00 H new ATOM 1084 N ARG A 69 -10.100 8.340 -3.223 1.00 0.00 N ATOM 1085 CA ARG A 69 -9.133 7.499 -2.459 1.00 0.00 C ATOM 1086 C ARG A 69 -7.964 7.094 -3.357 1.00 0.00 C ATOM 1087 O ARG A 69 -8.106 6.969 -4.558 1.00 0.00 O ATOM 1088 CB ARG A 69 -9.922 6.263 -2.024 1.00 0.00 C ATOM 1089 CG ARG A 69 -9.336 5.729 -0.716 1.00 0.00 C ATOM 1090 CD ARG A 69 -9.758 4.272 -0.519 1.00 0.00 C ATOM 1091 NE ARG A 69 -9.001 3.815 0.680 1.00 0.00 N ATOM 1092 CZ ARG A 69 -9.059 4.499 1.789 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -10.189 4.606 2.433 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -7.984 5.075 2.255 1.00 0.00 N ATOM 0 H ARG A 69 -10.574 7.867 -3.992 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.715 8.032 -1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.973 6.517 -1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.876 5.496 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.249 5.803 -0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.681 6.334 0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.834 4.189 -0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.516 3.668 -1.394 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.437 2.966 0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.028 4.154 2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.233 5.141 3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.101 4.990 1.752 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.027 5.610 3.122 1.00 0.00 H new ATOM 1108 N ALA A 70 -6.808 6.894 -2.785 1.00 0.00 N ATOM 1109 CA ALA A 70 -5.625 6.503 -3.605 1.00 0.00 C ATOM 1110 C ALA A 70 -5.777 5.072 -4.129 1.00 0.00 C ATOM 1111 O ALA A 70 -5.934 4.137 -3.369 1.00 0.00 O ATOM 1112 CB ALA A 70 -4.436 6.582 -2.646 1.00 0.00 C ATOM 0 H ALA A 70 -6.631 6.984 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.505 7.149 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.523 6.308 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.343 7.599 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.593 5.896 -1.814 1.00 0.00 H new ATOM 1118 N ARG A 71 -5.710 4.890 -5.419 1.00 0.00 N ATOM 1119 CA ARG A 71 -5.827 3.513 -5.978 1.00 0.00 C ATOM 1120 C ARG A 71 -4.467 2.819 -5.877 1.00 0.00 C ATOM 1121 O ARG A 71 -4.372 1.646 -5.572 1.00 0.00 O ATOM 1122 CB ARG A 71 -6.233 3.699 -7.439 1.00 0.00 C ATOM 1123 CG ARG A 71 -6.470 2.328 -8.078 1.00 0.00 C ATOM 1124 CD ARG A 71 -7.954 2.167 -8.413 1.00 0.00 C ATOM 1125 NE ARG A 71 -8.131 0.712 -8.684 1.00 0.00 N ATOM 1126 CZ ARG A 71 -9.215 0.285 -9.270 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -10.382 0.530 -8.740 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -9.132 -0.387 -10.385 1.00 0.00 N ATOM 0 H ARG A 71 -5.580 5.631 -6.108 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.553 2.900 -5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.138 4.304 -7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.453 4.235 -7.980 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.870 2.229 -8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.153 1.538 -7.397 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.583 2.494 -7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.231 2.767 -9.280 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.404 0.050 -8.411 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.446 1.055 -7.868 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.230 0.196 -9.198 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.219 -0.578 -10.798 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.980 -0.721 -10.843 1.00 0.00 H new ATOM 1142 N LYS A 72 -3.412 3.550 -6.116 1.00 0.00 N ATOM 1143 CA LYS A 72 -2.046 2.962 -6.021 1.00 0.00 C ATOM 1144 C LYS A 72 -1.125 3.941 -5.286 1.00 0.00 C ATOM 1145 O LYS A 72 -1.240 5.141 -5.435 1.00 0.00 O ATOM 1146 CB LYS A 72 -1.589 2.758 -7.468 1.00 0.00 C ATOM 1147 CG LYS A 72 -1.599 4.097 -8.211 1.00 0.00 C ATOM 1148 CD LYS A 72 -2.610 4.037 -9.359 1.00 0.00 C ATOM 1149 CE LYS A 72 -2.020 4.714 -10.600 1.00 0.00 C ATOM 1150 NZ LYS A 72 -2.258 3.755 -11.715 1.00 0.00 N ATOM 0 H LYS A 72 -3.439 4.536 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.028 2.022 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.587 2.330 -7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.247 2.049 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.859 4.903 -7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.605 4.317 -8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.860 3.000 -9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.536 4.533 -9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.503 5.672 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.956 4.914 -10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.880 4.150 -12.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.781 2.855 -11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.280 3.589 -11.818 1.00 0.00 H new ATOM 1164 N GLU A 73 -0.223 3.444 -4.484 1.00 0.00 N ATOM 1165 CA GLU A 73 0.690 4.354 -3.732 1.00 0.00 C ATOM 1166 C GLU A 73 1.431 5.289 -4.694 1.00 0.00 C ATOM 1167 O GLU A 73 1.018 5.484 -5.818 1.00 0.00 O ATOM 1168 CB GLU A 73 1.668 3.428 -3.005 1.00 0.00 C ATOM 1169 CG GLU A 73 2.189 2.361 -3.969 1.00 0.00 C ATOM 1170 CD GLU A 73 1.932 0.974 -3.378 1.00 0.00 C ATOM 1171 OE1 GLU A 73 2.132 0.814 -2.184 1.00 0.00 O ATOM 1172 OE2 GLU A 73 1.541 0.095 -4.126 1.00 0.00 O ATOM 0 H GLU A 73 -0.078 2.448 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 73 0.149 4.995 -3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.501 4.006 -2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.172 2.954 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.693 2.454 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.256 2.502 -4.143 1.00 0.00 H new ATOM 1179 N CYS A 74 2.516 5.875 -4.250 1.00 0.00 N ATOM 1180 CA CYS A 74 3.306 6.818 -5.110 1.00 0.00 C ATOM 1181 C CYS A 74 2.634 8.197 -5.155 1.00 0.00 C ATOM 1182 O CYS A 74 3.294 9.215 -5.100 1.00 0.00 O ATOM 1183 CB CYS A 74 3.363 6.200 -6.512 1.00 0.00 C ATOM 1184 SG CYS A 74 3.706 4.426 -6.385 1.00 0.00 S ATOM 0 H CYS A 74 2.895 5.739 -3.313 1.00 0.00 H new ATOM 0 HA CYS A 74 4.309 6.962 -4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.417 6.361 -7.029 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.137 6.688 -7.104 1.00 0.00 H new ATOM 0 HG CYS A 74 3.751 3.906 -7.576 1.00 0.00 H new ATOM 1190 N TRP A 75 1.330 8.249 -5.254 1.00 0.00 N ATOM 1191 CA TRP A 75 0.646 9.568 -5.298 1.00 0.00 C ATOM 1192 C TRP A 75 0.663 10.216 -3.911 1.00 0.00 C ATOM 1193 O TRP A 75 -0.078 9.834 -3.026 1.00 0.00 O ATOM 1194 CB TRP A 75 -0.786 9.246 -5.728 1.00 0.00 C ATOM 1195 CG TRP A 75 -1.681 10.401 -5.407 1.00 0.00 C ATOM 1196 CD1 TRP A 75 -1.597 11.614 -5.989 1.00 0.00 C ATOM 1197 CD2 TRP A 75 -2.779 10.482 -4.448 1.00 0.00 C ATOM 1198 NE1 TRP A 75 -2.569 12.439 -5.455 1.00 0.00 N ATOM 1199 CE2 TRP A 75 -3.324 11.787 -4.501 1.00 0.00 C ATOM 1200 CE3 TRP A 75 -3.351 9.564 -3.545 1.00 0.00 C ATOM 1201 CZ2 TRP A 75 -4.395 12.169 -3.693 1.00 0.00 C ATOM 1202 CZ3 TRP A 75 -4.431 9.948 -2.730 1.00 0.00 C ATOM 1203 CH2 TRP A 75 -4.950 11.246 -2.804 1.00 0.00 C ATOM 0 H TRP A 75 0.715 7.437 -5.306 1.00 0.00 H new ATOM 0 HA TRP A 75 1.129 10.269 -5.978 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.816 9.036 -6.797 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -1.136 8.349 -5.217 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -0.885 11.896 -6.750 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.711 13.410 -5.732 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.958 8.560 -3.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.792 13.171 -3.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.863 9.236 -2.042 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.779 11.533 -2.174 1.00 0.00 H new ATOM 1214 N ASP A 76 1.503 11.194 -3.717 1.00 0.00 N ATOM 1215 CA ASP A 76 1.568 11.867 -2.389 1.00 0.00 C ATOM 1216 C ASP A 76 0.492 12.953 -2.295 1.00 0.00 C ATOM 1217 O ASP A 76 0.531 13.942 -3.000 1.00 0.00 O ATOM 1218 CB ASP A 76 2.966 12.483 -2.329 1.00 0.00 C ATOM 1219 CG ASP A 76 4.005 11.371 -2.173 1.00 0.00 C ATOM 1220 OD1 ASP A 76 3.610 10.217 -2.153 1.00 0.00 O ATOM 1221 OD2 ASP A 76 5.178 11.693 -2.079 1.00 0.00 O ATOM 0 H ASP A 76 2.147 11.557 -4.420 1.00 0.00 H new ATOM 0 HA ASP A 76 1.392 11.177 -1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.163 13.055 -3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.033 13.179 -1.493 1.00 0.00 H new ATOM 1226 N ARG A 77 -0.471 12.772 -1.433 1.00 0.00 N ATOM 1227 CA ARG A 77 -1.551 13.792 -1.296 1.00 0.00 C ATOM 1228 C ARG A 77 -1.143 14.873 -0.291 1.00 0.00 C ATOM 1229 O ARG A 77 -1.808 15.878 -0.143 1.00 0.00 O ATOM 1230 CB ARG A 77 -2.766 13.019 -0.783 1.00 0.00 C ATOM 1231 CG ARG A 77 -3.836 14.006 -0.314 1.00 0.00 C ATOM 1232 CD ARG A 77 -4.241 14.911 -1.480 1.00 0.00 C ATOM 1233 NE ARG A 77 -5.038 16.004 -0.860 1.00 0.00 N ATOM 1234 CZ ARG A 77 -5.091 17.177 -1.430 1.00 0.00 C ATOM 1235 NH1 ARG A 77 -5.565 17.294 -2.641 1.00 0.00 N ATOM 1236 NH2 ARG A 77 -4.672 18.234 -0.789 1.00 0.00 N ATOM 0 H ARG A 77 -0.557 11.963 -0.818 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.756 14.299 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.165 12.381 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.474 12.365 0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.706 13.466 0.060 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.455 14.607 0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.366 15.305 -1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.828 14.365 -2.218 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.543 15.837 0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.894 16.469 -3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.606 18.211 -3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.303 18.143 0.158 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.714 19.151 -1.235 1.00 0.00 H new ATOM 1250 N ASP A 78 -0.055 14.675 0.401 1.00 0.00 N ATOM 1251 CA ASP A 78 0.388 15.695 1.394 1.00 0.00 C ATOM 1252 C ASP A 78 1.808 16.165 1.071 1.00 0.00 C ATOM 1253 O ASP A 78 2.388 16.958 1.786 1.00 0.00 O ATOM 1254 CB ASP A 78 0.352 14.980 2.745 1.00 0.00 C ATOM 1255 CG ASP A 78 -0.377 15.855 3.767 1.00 0.00 C ATOM 1256 OD1 ASP A 78 0.204 16.838 4.196 1.00 0.00 O ATOM 1257 OD2 ASP A 78 -1.503 15.527 4.102 1.00 0.00 O ATOM 0 H ASP A 78 0.545 13.854 0.323 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.248 16.580 1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.154 14.019 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.366 14.773 3.086 1.00 0.00 H new ATOM 1262 N GLY A 79 2.374 15.683 -0.002 1.00 0.00 N ATOM 1263 CA GLY A 79 3.756 16.103 -0.367 1.00 0.00 C ATOM 1264 C GLY A 79 4.763 15.079 0.160 1.00 0.00 C ATOM 1265 O GLY A 79 5.951 15.191 -0.068 1.00 0.00 O ATOM 0 H GLY A 79 1.939 15.017 -0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.845 16.191 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.970 17.086 0.052 1.00 0.00 H new ATOM 1269 N LYS A 80 4.298 14.081 0.862 1.00 0.00 N ATOM 1270 CA LYS A 80 5.233 13.053 1.401 1.00 0.00 C ATOM 1271 C LYS A 80 4.859 11.669 0.862 1.00 0.00 C ATOM 1272 O LYS A 80 3.701 11.356 0.678 1.00 0.00 O ATOM 1273 CB LYS A 80 5.053 13.111 2.918 1.00 0.00 C ATOM 1274 CG LYS A 80 5.224 14.554 3.399 1.00 0.00 C ATOM 1275 CD LYS A 80 6.712 14.881 3.518 1.00 0.00 C ATOM 1276 CE LYS A 80 7.205 14.534 4.924 1.00 0.00 C ATOM 1277 NZ LYS A 80 8.355 13.614 4.710 1.00 0.00 N ATOM 0 H LYS A 80 3.314 13.934 1.085 1.00 0.00 H new ATOM 0 HA LYS A 80 6.267 13.237 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.065 12.740 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.783 12.465 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.745 15.240 2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.734 14.687 4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.278 14.320 2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.879 15.939 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.510 15.428 5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.421 14.056 5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.749 13.331 5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.033 12.769 4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.088 14.099 4.154 1.00 0.00 H new ATOM 1291 N GLU A 81 5.834 10.839 0.603 1.00 0.00 N ATOM 1292 CA GLU A 81 5.530 9.479 0.071 1.00 0.00 C ATOM 1293 C GLU A 81 4.396 8.835 0.870 1.00 0.00 C ATOM 1294 O GLU A 81 4.556 8.479 2.021 1.00 0.00 O ATOM 1295 CB GLU A 81 6.826 8.683 0.237 1.00 0.00 C ATOM 1296 CG GLU A 81 7.382 8.893 1.647 1.00 0.00 C ATOM 1297 CD GLU A 81 7.375 7.563 2.402 1.00 0.00 C ATOM 1298 OE1 GLU A 81 6.297 7.079 2.701 1.00 0.00 O ATOM 1299 OE2 GLU A 81 8.450 7.052 2.670 1.00 0.00 O ATOM 0 H GLU A 81 6.824 11.043 0.736 1.00 0.00 H new ATOM 0 HA GLU A 81 5.204 9.510 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.638 7.623 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.558 9.003 -0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.397 9.288 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.781 9.629 2.180 1.00 0.00 H new ATOM 1306 N ARG A 82 3.249 8.677 0.266 1.00 0.00 N ATOM 1307 CA ARG A 82 2.107 8.049 0.987 1.00 0.00 C ATOM 1308 C ARG A 82 1.736 6.723 0.322 1.00 0.00 C ATOM 1309 O ARG A 82 2.336 6.318 -0.654 1.00 0.00 O ATOM 1310 CB ARG A 82 0.960 9.055 0.871 1.00 0.00 C ATOM 1311 CG ARG A 82 0.635 9.620 2.256 1.00 0.00 C ATOM 1312 CD ARG A 82 1.087 11.081 2.333 1.00 0.00 C ATOM 1313 NE ARG A 82 0.531 11.587 3.618 1.00 0.00 N ATOM 1314 CZ ARG A 82 1.314 11.756 4.649 1.00 0.00 C ATOM 1315 NH1 ARG A 82 2.321 10.948 4.844 1.00 0.00 N ATOM 1316 NH2 ARG A 82 1.090 12.733 5.484 1.00 0.00 N ATOM 0 H ARG A 82 3.054 8.956 -0.696 1.00 0.00 H new ATOM 0 HA ARG A 82 2.343 7.827 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.237 9.862 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.079 8.572 0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.436 9.549 2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.135 9.033 3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.174 11.160 2.315 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.711 11.656 1.486 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.463 11.802 3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.496 10.184 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.933 11.080 5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.304 13.364 5.331 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.701 12.866 6.290 1.00 0.00 H new ATOM 1330 N VAL A 83 0.756 6.036 0.841 1.00 0.00 N ATOM 1331 CA VAL A 83 0.360 4.733 0.234 1.00 0.00 C ATOM 1332 C VAL A 83 -1.074 4.803 -0.298 1.00 0.00 C ATOM 1333 O VAL A 83 -1.780 5.770 -0.085 1.00 0.00 O ATOM 1334 CB VAL A 83 0.451 3.721 1.374 1.00 0.00 C ATOM 1335 CG1 VAL A 83 -0.544 4.100 2.471 1.00 0.00 C ATOM 1336 CG2 VAL A 83 0.114 2.328 0.839 1.00 0.00 C ATOM 0 H VAL A 83 0.213 6.319 1.657 1.00 0.00 H new ATOM 0 HA VAL A 83 0.998 4.465 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 83 1.461 3.721 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.480 3.378 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.308 5.095 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.555 4.097 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.178 1.602 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.897 2.329 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.821 2.059 0.054 1.00 0.00 H new ATOM 1346 N THR A 84 -1.511 3.782 -0.985 1.00 0.00 N ATOM 1347 CA THR A 84 -2.898 3.786 -1.526 1.00 0.00 C ATOM 1348 C THR A 84 -3.903 3.969 -0.386 1.00 0.00 C ATOM 1349 O THR A 84 -5.053 4.296 -0.603 1.00 0.00 O ATOM 1350 CB THR A 84 -3.072 2.412 -2.179 1.00 0.00 C ATOM 1351 OG1 THR A 84 -4.235 2.423 -2.996 1.00 0.00 O ATOM 1352 CG2 THR A 84 -3.218 1.342 -1.096 1.00 0.00 C ATOM 0 H THR A 84 -0.966 2.946 -1.194 1.00 0.00 H new ATOM 0 HA THR A 84 -3.066 4.597 -2.234 1.00 0.00 H new ATOM 0 HB THR A 84 -2.198 2.188 -2.790 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.684 3.290 -2.914 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.342 0.365 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.326 1.334 -0.470 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.091 1.563 -0.481 1.00 0.00 H new ATOM 1360 N GLY A 85 -3.474 3.762 0.827 1.00 0.00 N ATOM 1361 CA GLY A 85 -4.395 3.923 1.986 1.00 0.00 C ATOM 1362 C GLY A 85 -4.694 5.407 2.191 1.00 0.00 C ATOM 1363 O GLY A 85 -5.609 5.775 2.900 1.00 0.00 O ATOM 0 H GLY A 85 -2.521 3.487 1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.320 3.375 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.943 3.504 2.885 1.00 0.00 H new ATOM 1367 N GLU A 86 -3.928 6.261 1.573 1.00 0.00 N ATOM 1368 CA GLU A 86 -4.162 7.723 1.727 1.00 0.00 C ATOM 1369 C GLU A 86 -5.384 8.141 0.897 1.00 0.00 C ATOM 1370 O GLU A 86 -5.667 7.574 -0.139 1.00 0.00 O ATOM 1371 CB GLU A 86 -2.870 8.376 1.210 1.00 0.00 C ATOM 1372 CG GLU A 86 -3.168 9.744 0.583 1.00 0.00 C ATOM 1373 CD GLU A 86 -3.648 10.711 1.667 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -3.102 10.667 2.757 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -4.553 11.481 1.388 1.00 0.00 O ATOM 0 H GLU A 86 -3.148 6.009 0.966 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.373 8.022 2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.162 8.493 2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.399 7.727 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.273 10.137 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.929 9.643 -0.191 1.00 0.00 H new ATOM 1382 N GLU A 87 -6.115 9.121 1.353 1.00 0.00 N ATOM 1383 CA GLU A 87 -7.321 9.567 0.598 1.00 0.00 C ATOM 1384 C GLU A 87 -7.673 11.011 0.978 1.00 0.00 C ATOM 1385 O GLU A 87 -7.231 11.521 1.988 1.00 0.00 O ATOM 1386 CB GLU A 87 -8.421 8.583 1.028 1.00 0.00 C ATOM 1387 CG GLU A 87 -9.797 9.262 1.011 1.00 0.00 C ATOM 1388 CD GLU A 87 -10.837 8.318 1.618 1.00 0.00 C ATOM 1389 OE1 GLU A 87 -10.845 8.180 2.830 1.00 0.00 O ATOM 1390 OE2 GLU A 87 -11.607 7.750 0.861 1.00 0.00 O ATOM 0 H GLU A 87 -5.930 9.632 2.216 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.179 9.565 -0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.427 7.722 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.208 8.207 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.762 10.194 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.075 9.519 -0.011 1.00 0.00 H new ATOM 1397 N TRP A 88 -8.465 11.673 0.177 1.00 0.00 N ATOM 1398 CA TRP A 88 -8.838 13.079 0.499 1.00 0.00 C ATOM 1399 C TRP A 88 -10.201 13.424 -0.125 1.00 0.00 C ATOM 1400 O TRP A 88 -10.521 13.003 -1.220 1.00 0.00 O ATOM 1401 CB TRP A 88 -7.683 13.927 -0.075 1.00 0.00 C ATOM 1402 CG TRP A 88 -8.133 14.754 -1.244 1.00 0.00 C ATOM 1403 CD1 TRP A 88 -8.467 14.266 -2.461 1.00 0.00 C ATOM 1404 CD2 TRP A 88 -8.296 16.200 -1.323 1.00 0.00 C ATOM 1405 NE1 TRP A 88 -8.824 15.321 -3.282 1.00 0.00 N ATOM 1406 CE2 TRP A 88 -8.735 16.533 -2.626 1.00 0.00 C ATOM 1407 CE3 TRP A 88 -8.107 17.244 -0.400 1.00 0.00 C ATOM 1408 CZ2 TRP A 88 -8.978 17.855 -3.000 1.00 0.00 C ATOM 1409 CZ3 TRP A 88 -8.351 18.575 -0.772 1.00 0.00 C ATOM 1410 CH2 TRP A 88 -8.785 18.880 -2.071 1.00 0.00 C ATOM 0 H TRP A 88 -8.868 11.302 -0.683 1.00 0.00 H new ATOM 0 HA TRP A 88 -8.959 13.262 1.567 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.289 14.580 0.703 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.868 13.272 -0.384 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -8.457 13.224 -2.745 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -9.117 15.216 -4.253 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.772 17.020 0.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.313 18.084 -4.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.204 19.369 -0.055 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -8.970 19.906 -2.352 1.00 0.00 H new ATOM 1421 N LEU A 89 -11.001 14.179 0.575 1.00 0.00 N ATOM 1422 CA LEU A 89 -12.346 14.555 0.046 1.00 0.00 C ATOM 1423 C LEU A 89 -12.304 15.974 -0.530 1.00 0.00 C ATOM 1424 O LEU A 89 -12.012 16.928 0.163 1.00 0.00 O ATOM 1425 CB LEU A 89 -13.268 14.475 1.269 1.00 0.00 C ATOM 1426 CG LEU A 89 -14.602 15.184 0.996 1.00 0.00 C ATOM 1427 CD1 LEU A 89 -14.420 16.698 1.127 1.00 0.00 C ATOM 1428 CD2 LEU A 89 -15.092 14.845 -0.415 1.00 0.00 C ATOM 0 H LEU A 89 -10.781 14.555 1.497 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.686 13.907 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.452 13.431 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.778 14.931 2.129 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.340 14.846 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -15.369 17.197 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.084 16.938 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.677 17.039 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -16.039 15.351 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.353 15.175 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.233 13.768 -0.502 1.00 0.00 H new ATOM 1440 N VAL A 90 -12.588 16.119 -1.797 1.00 0.00 N ATOM 1441 CA VAL A 90 -12.557 17.472 -2.423 1.00 0.00 C ATOM 1442 C VAL A 90 -13.967 18.068 -2.498 1.00 0.00 C ATOM 1443 O VAL A 90 -14.952 17.359 -2.604 1.00 0.00 O ATOM 1444 CB VAL A 90 -12.003 17.239 -3.828 1.00 0.00 C ATOM 1445 CG1 VAL A 90 -12.845 16.176 -4.536 1.00 0.00 C ATOM 1446 CG2 VAL A 90 -12.060 18.546 -4.623 1.00 0.00 C ATOM 0 H VAL A 90 -12.841 15.357 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.952 18.174 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.969 16.900 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.451 16.008 -5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.806 15.245 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.878 16.516 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.665 18.380 -5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -13.094 18.885 -4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.462 19.305 -4.119 1.00 0.00 H new ATOM 1456 N THR A 91 -14.066 19.370 -2.451 1.00 0.00 N ATOM 1457 CA THR A 91 -15.403 20.029 -2.526 1.00 0.00 C ATOM 1458 C THR A 91 -15.273 21.397 -3.204 1.00 0.00 C ATOM 1459 O THR A 91 -15.728 22.400 -2.692 1.00 0.00 O ATOM 1460 CB THR A 91 -15.848 20.193 -1.071 1.00 0.00 C ATOM 1461 OG1 THR A 91 -17.039 20.968 -1.028 1.00 0.00 O ATOM 1462 CG2 THR A 91 -14.751 20.900 -0.274 1.00 0.00 C ATOM 0 H THR A 91 -13.275 20.008 -2.364 1.00 0.00 H new ATOM 0 HA THR A 91 -16.120 19.449 -3.107 1.00 0.00 H new ATOM 0 HB THR A 91 -16.034 19.211 -0.636 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.907 21.799 -1.531 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.071 21.015 0.762 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.837 20.307 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.562 21.882 -0.707 1.00 0.00 H new ATOM 1470 N THR A 92 -14.650 21.445 -4.351 1.00 0.00 N ATOM 1471 CA THR A 92 -14.486 22.749 -5.057 1.00 0.00 C ATOM 1472 C THR A 92 -15.747 23.086 -5.859 1.00 0.00 C ATOM 1473 O THR A 92 -16.349 22.231 -6.479 1.00 0.00 O ATOM 1474 CB THR A 92 -13.296 22.542 -5.996 1.00 0.00 C ATOM 1475 OG1 THR A 92 -12.239 21.910 -5.285 1.00 0.00 O ATOM 1476 CG2 THR A 92 -12.821 23.896 -6.525 1.00 0.00 C ATOM 0 H THR A 92 -14.248 20.639 -4.829 1.00 0.00 H new ATOM 0 HA THR A 92 -14.324 23.574 -4.363 1.00 0.00 H new ATOM 0 HB THR A 92 -13.597 21.913 -6.834 1.00 0.00 H new ATOM 0 HG1 THR A 92 -11.426 21.918 -5.832 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.973 23.748 -7.194 1.00 0.00 H new ATOM 0 HG22 THR A 92 -13.633 24.379 -7.069 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.518 24.527 -5.690 1.00 0.00 H new ATOM 1484 N VAL A 93 -16.149 24.329 -5.855 1.00 0.00 N ATOM 1485 CA VAL A 93 -17.369 24.722 -6.618 1.00 0.00 C ATOM 1486 C VAL A 93 -17.060 24.775 -8.117 1.00 0.00 C ATOM 1487 O VAL A 93 -16.110 25.403 -8.541 1.00 0.00 O ATOM 1488 CB VAL A 93 -17.728 26.116 -6.101 1.00 0.00 C ATOM 1489 CG1 VAL A 93 -19.136 26.484 -6.568 1.00 0.00 C ATOM 1490 CG2 VAL A 93 -17.682 26.122 -4.572 1.00 0.00 C ATOM 0 H VAL A 93 -15.686 25.089 -5.357 1.00 0.00 H new ATOM 0 HA VAL A 93 -18.185 24.012 -6.484 1.00 0.00 H new ATOM 0 HB VAL A 93 -17.013 26.842 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -19.393 27.477 -6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -19.171 26.480 -7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -19.850 25.757 -6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -17.938 27.116 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -18.396 25.396 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -16.679 25.858 -4.237 1.00 0.00 H new ATOM 1500 N GLY A 94 -17.852 24.122 -8.924 1.00 0.00 N ATOM 1501 CA GLY A 94 -17.596 24.143 -10.392 1.00 0.00 C ATOM 1502 C GLY A 94 -16.123 23.828 -10.654 1.00 0.00 C ATOM 1503 O GLY A 94 -15.311 24.718 -10.807 1.00 0.00 O ATOM 0 H GLY A 94 -18.663 23.577 -8.631 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -18.231 23.412 -10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.849 25.120 -10.803 1.00 0.00 H new ATOM 1507 N ALA A 95 -15.766 22.572 -10.706 1.00 0.00 N ATOM 1508 CA ALA A 95 -14.338 22.226 -10.960 1.00 0.00 C ATOM 1509 C ALA A 95 -14.148 20.708 -11.040 1.00 0.00 C ATOM 1510 O ALA A 95 -14.875 19.948 -10.440 1.00 0.00 O ATOM 1511 CB ALA A 95 -13.580 22.802 -9.767 1.00 0.00 C ATOM 0 H ALA A 95 -16.395 21.778 -10.585 1.00 0.00 H new ATOM 0 HA ALA A 95 -13.983 22.628 -11.909 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.516 22.591 -9.875 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.733 23.880 -9.725 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.949 22.347 -8.848 1.00 0.00 H new ATOM 1517 N TYR A 96 -13.171 20.260 -11.782 1.00 0.00 N ATOM 1518 CA TYR A 96 -12.938 18.791 -11.900 1.00 0.00 C ATOM 1519 C TYR A 96 -11.566 18.420 -11.329 1.00 0.00 C ATOM 1520 O TYR A 96 -10.539 18.783 -11.868 1.00 0.00 O ATOM 1521 CB TYR A 96 -12.995 18.506 -13.403 1.00 0.00 C ATOM 1522 CG TYR A 96 -12.980 17.011 -13.655 1.00 0.00 C ATOM 1523 CD1 TYR A 96 -13.073 16.110 -12.583 1.00 0.00 C ATOM 1524 CD2 TYR A 96 -12.878 16.529 -14.964 1.00 0.00 C ATOM 1525 CE1 TYR A 96 -13.062 14.732 -12.826 1.00 0.00 C ATOM 1526 CE2 TYR A 96 -12.869 15.149 -15.205 1.00 0.00 C ATOM 1527 CZ TYR A 96 -12.960 14.251 -14.136 1.00 0.00 C ATOM 1528 OH TYR A 96 -12.952 12.892 -14.373 1.00 0.00 O ATOM 0 H TYR A 96 -12.525 20.846 -12.311 1.00 0.00 H new ATOM 0 HA TYR A 96 -13.673 18.209 -11.345 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -13.897 18.945 -13.829 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -12.146 18.974 -13.902 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -13.153 16.480 -11.571 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.806 17.221 -15.790 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.132 14.039 -12.001 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -12.792 14.778 -16.216 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.877 12.728 -15.336 1.00 0.00 H new ATOM 1538 N LEU A 97 -11.540 17.699 -10.239 1.00 0.00 N ATOM 1539 CA LEU A 97 -10.233 17.307 -9.632 1.00 0.00 C ATOM 1540 C LEU A 97 -10.160 15.785 -9.467 1.00 0.00 C ATOM 1541 O LEU A 97 -10.318 15.269 -8.379 1.00 0.00 O ATOM 1542 CB LEU A 97 -10.212 17.996 -8.265 1.00 0.00 C ATOM 1543 CG LEU A 97 -9.116 19.063 -8.243 1.00 0.00 C ATOM 1544 CD1 LEU A 97 -9.264 19.976 -9.460 1.00 0.00 C ATOM 1545 CD2 LEU A 97 -9.245 19.897 -6.965 1.00 0.00 C ATOM 0 H LEU A 97 -12.366 17.365 -9.743 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.385 17.599 -10.251 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -11.181 18.452 -8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.034 17.262 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.139 18.580 -8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.482 20.735 -9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.175 19.385 -10.371 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.240 20.460 -9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.465 20.658 -6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.223 20.379 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.139 19.249 -6.095 1.00 0.00 H new ATOM 1557 N PRO A 98 -9.922 15.118 -10.564 1.00 0.00 N ATOM 1558 CA PRO A 98 -9.827 13.638 -10.553 1.00 0.00 C ATOM 1559 C PRO A 98 -8.475 13.179 -9.993 1.00 0.00 C ATOM 1560 O PRO A 98 -8.153 12.008 -10.015 1.00 0.00 O ATOM 1561 CB PRO A 98 -9.950 13.265 -12.026 1.00 0.00 C ATOM 1562 CG PRO A 98 -9.480 14.472 -12.778 1.00 0.00 C ATOM 1563 CD PRO A 98 -9.728 15.676 -11.905 1.00 0.00 C ATOM 0 HA PRO A 98 -10.586 13.170 -9.926 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.342 12.392 -12.263 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.979 13.016 -12.284 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.420 14.385 -13.019 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -10.015 14.567 -13.723 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.885 16.366 -11.930 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.605 16.232 -12.235 1.00 0.00 H new ATOM 1571 N ALA A 99 -7.679 14.086 -9.495 1.00 0.00 N ATOM 1572 CA ALA A 99 -6.352 13.683 -8.942 1.00 0.00 C ATOM 1573 C ALA A 99 -5.583 12.853 -9.973 1.00 0.00 C ATOM 1574 O ALA A 99 -5.881 12.880 -11.149 1.00 0.00 O ATOM 1575 CB ALA A 99 -6.673 12.838 -7.712 1.00 0.00 C ATOM 0 H ALA A 99 -7.887 15.083 -9.447 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.730 14.543 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.745 12.503 -7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.240 13.435 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.263 11.971 -8.010 1.00 0.00 H new ATOM 1581 N VAL A 100 -4.592 12.119 -9.546 1.00 0.00 N ATOM 1582 CA VAL A 100 -3.808 11.299 -10.516 1.00 0.00 C ATOM 1583 C VAL A 100 -3.983 9.799 -10.243 1.00 0.00 C ATOM 1584 O VAL A 100 -4.467 9.066 -11.082 1.00 0.00 O ATOM 1585 CB VAL A 100 -2.352 11.721 -10.311 1.00 0.00 C ATOM 1586 CG1 VAL A 100 -1.517 11.273 -11.512 1.00 0.00 C ATOM 1587 CG2 VAL A 100 -2.277 13.245 -10.183 1.00 0.00 C ATOM 0 H VAL A 100 -4.292 12.051 -8.574 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.141 11.461 -11.541 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.964 11.258 -9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.479 11.574 -11.366 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.571 10.189 -11.608 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.905 11.737 -12.419 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.240 13.547 -10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.665 13.706 -11.091 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.873 13.568 -9.329 1.00 0.00 H new ATOM 1597 N PHE A 101 -3.583 9.325 -9.090 1.00 0.00 N ATOM 1598 CA PHE A 101 -3.726 7.866 -8.807 1.00 0.00 C ATOM 1599 C PHE A 101 -5.036 7.570 -8.074 1.00 0.00 C ATOM 1600 O PHE A 101 -5.595 6.497 -8.197 1.00 0.00 O ATOM 1601 CB PHE A 101 -2.542 7.523 -7.907 1.00 0.00 C ATOM 1602 CG PHE A 101 -1.287 7.357 -8.735 1.00 0.00 C ATOM 1603 CD1 PHE A 101 -1.165 7.996 -9.977 1.00 0.00 C ATOM 1604 CD2 PHE A 101 -0.242 6.561 -8.255 1.00 0.00 C ATOM 1605 CE1 PHE A 101 0.002 7.837 -10.734 1.00 0.00 C ATOM 1606 CE2 PHE A 101 0.925 6.402 -9.012 1.00 0.00 C ATOM 1607 CZ PHE A 101 1.046 7.040 -10.251 1.00 0.00 C ATOM 0 H PHE A 101 -3.168 9.879 -8.340 1.00 0.00 H new ATOM 0 HA PHE A 101 -3.742 7.281 -9.727 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.397 8.311 -7.168 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.748 6.605 -7.357 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.971 8.611 -10.350 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.335 6.068 -7.299 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.097 8.329 -11.691 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.731 5.787 -8.640 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.946 6.917 -10.835 1.00 0.00 H new ATOM 1617 N GLU A 102 -5.526 8.497 -7.298 1.00 0.00 N ATOM 1618 CA GLU A 102 -6.790 8.239 -6.547 1.00 0.00 C ATOM 1619 C GLU A 102 -8.011 8.436 -7.449 1.00 0.00 C ATOM 1620 O GLU A 102 -7.941 9.069 -8.483 1.00 0.00 O ATOM 1621 CB GLU A 102 -6.791 9.258 -5.404 1.00 0.00 C ATOM 1622 CG GLU A 102 -6.998 10.668 -5.964 1.00 0.00 C ATOM 1623 CD GLU A 102 -7.520 11.587 -4.858 1.00 0.00 C ATOM 1624 OE1 GLU A 102 -7.870 11.078 -3.807 1.00 0.00 O ATOM 1625 OE2 GLU A 102 -7.563 12.787 -5.081 1.00 0.00 O ATOM 0 H GLU A 102 -5.110 9.417 -7.151 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.841 7.214 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.582 9.020 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.848 9.208 -4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.059 11.055 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.706 10.641 -6.793 1.00 0.00 H new ATOM 1632 N GLU A 103 -9.133 7.893 -7.059 1.00 0.00 N ATOM 1633 CA GLU A 103 -10.367 8.041 -7.884 1.00 0.00 C ATOM 1634 C GLU A 103 -11.561 8.369 -6.986 1.00 0.00 C ATOM 1635 O GLU A 103 -11.510 8.203 -5.783 1.00 0.00 O ATOM 1636 CB GLU A 103 -10.563 6.681 -8.559 1.00 0.00 C ATOM 1637 CG GLU A 103 -10.342 5.563 -7.537 1.00 0.00 C ATOM 1638 CD GLU A 103 -11.456 5.602 -6.489 1.00 0.00 C ATOM 1639 OE1 GLU A 103 -12.610 5.535 -6.878 1.00 0.00 O ATOM 1640 OE2 GLU A 103 -11.135 5.695 -5.316 1.00 0.00 O ATOM 0 H GLU A 103 -9.248 7.352 -6.202 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.282 8.847 -8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.568 6.612 -8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.865 6.572 -9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.333 4.595 -8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.371 5.682 -7.056 1.00 0.00 H new ATOM 1647 N VAL A 104 -12.636 8.837 -7.560 1.00 0.00 N ATOM 1648 CA VAL A 104 -13.832 9.178 -6.739 1.00 0.00 C ATOM 1649 C VAL A 104 -14.574 7.907 -6.323 1.00 0.00 C ATOM 1650 O VAL A 104 -14.727 6.984 -7.097 1.00 0.00 O ATOM 1651 CB VAL A 104 -14.718 10.028 -7.650 1.00 0.00 C ATOM 1652 CG1 VAL A 104 -13.875 11.105 -8.336 1.00 0.00 C ATOM 1653 CG2 VAL A 104 -15.360 9.135 -8.714 1.00 0.00 C ATOM 0 H VAL A 104 -12.737 8.998 -8.562 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.558 9.705 -5.825 1.00 0.00 H new ATOM 0 HB VAL A 104 -15.495 10.504 -7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.512 11.708 -8.984 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.417 11.744 -7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.095 10.632 -8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.992 9.740 -9.364 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.580 8.658 -9.308 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.966 8.370 -8.229 1.00 0.00 H new ATOM 1663 N LEU A 105 -15.048 7.860 -5.111 1.00 0.00 N ATOM 1664 CA LEU A 105 -15.795 6.654 -4.654 1.00 0.00 C ATOM 1665 C LEU A 105 -17.292 6.880 -4.869 1.00 0.00 C ATOM 1666 O LEU A 105 -18.091 5.973 -4.754 1.00 0.00 O ATOM 1667 CB LEU A 105 -15.483 6.498 -3.157 1.00 0.00 C ATOM 1668 CG LEU A 105 -14.114 7.105 -2.817 1.00 0.00 C ATOM 1669 CD1 LEU A 105 -13.705 6.675 -1.409 1.00 0.00 C ATOM 1670 CD2 LEU A 105 -13.058 6.626 -3.820 1.00 0.00 C ATOM 0 H LEU A 105 -14.952 8.602 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 105 -15.507 5.759 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -16.259 6.986 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.494 5.442 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 105 -14.185 8.191 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -12.733 7.105 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -14.447 7.025 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -13.642 5.588 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.092 7.063 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.986 5.539 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.345 6.934 -4.825 1.00 0.00 H new ATOM 1682 N ASP A 106 -17.672 8.091 -5.189 1.00 0.00 N ATOM 1683 CA ASP A 106 -19.115 8.397 -5.424 1.00 0.00 C ATOM 1684 C ASP A 106 -19.329 9.913 -5.444 1.00 0.00 C ATOM 1685 O ASP A 106 -18.393 10.684 -5.377 1.00 0.00 O ATOM 1686 CB ASP A 106 -19.876 7.769 -4.250 1.00 0.00 C ATOM 1687 CG ASP A 106 -19.097 7.983 -2.949 1.00 0.00 C ATOM 1688 OD1 ASP A 106 -19.011 9.120 -2.515 1.00 0.00 O ATOM 1689 OD2 ASP A 106 -18.603 7.007 -2.411 1.00 0.00 O ATOM 0 H ASP A 106 -17.041 8.885 -5.298 1.00 0.00 H new ATOM 0 HA ASP A 106 -19.462 8.003 -6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -20.867 8.215 -4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.019 6.703 -4.427 1.00 0.00 H new ATOM 1694 N LEU A 107 -20.557 10.344 -5.533 1.00 0.00 N ATOM 1695 CA LEU A 107 -20.835 11.810 -5.554 1.00 0.00 C ATOM 1696 C LEU A 107 -21.980 12.134 -4.589 1.00 0.00 C ATOM 1697 O LEU A 107 -23.035 11.535 -4.644 1.00 0.00 O ATOM 1698 CB LEU A 107 -21.245 12.112 -6.997 1.00 0.00 C ATOM 1699 CG LEU A 107 -20.135 11.661 -7.950 1.00 0.00 C ATOM 1700 CD1 LEU A 107 -20.427 10.244 -8.448 1.00 0.00 C ATOM 1701 CD2 LEU A 107 -20.073 12.617 -9.143 1.00 0.00 C ATOM 0 H LEU A 107 -21.381 9.745 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.976 12.405 -5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -22.176 11.598 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -21.431 13.179 -7.117 1.00 0.00 H new ATOM 0 HG LEU A 107 -19.181 11.668 -7.424 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -19.635 9.926 -9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -20.473 9.562 -7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -21.381 10.233 -8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -19.283 12.299 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -21.029 12.608 -9.667 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -19.862 13.626 -8.790 1.00 0.00 H new ATOM 1713 N VAL A 108 -21.783 13.068 -3.696 1.00 0.00 N ATOM 1714 CA VAL A 108 -22.871 13.403 -2.729 1.00 0.00 C ATOM 1715 C VAL A 108 -23.215 14.893 -2.785 1.00 0.00 C ATOM 1716 O VAL A 108 -22.423 15.737 -2.420 1.00 0.00 O ATOM 1717 CB VAL A 108 -22.302 13.050 -1.359 1.00 0.00 C ATOM 1718 CG1 VAL A 108 -21.051 13.889 -1.099 1.00 0.00 C ATOM 1719 CG2 VAL A 108 -23.348 13.349 -0.284 1.00 0.00 C ATOM 0 H VAL A 108 -20.924 13.609 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 108 -23.789 12.860 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 108 -22.043 11.992 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -20.642 13.639 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.307 13.680 -1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -21.311 14.947 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -22.944 13.098 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -23.604 14.408 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -24.242 12.755 -0.471 1.00 0.00 H new ATOM 1729 N ASP A 109 -24.397 15.222 -3.225 1.00 0.00 N ATOM 1730 CA ASP A 109 -24.794 16.656 -3.290 1.00 0.00 C ATOM 1731 C ASP A 109 -24.984 17.210 -1.875 1.00 0.00 C ATOM 1732 O ASP A 109 -25.590 16.582 -1.030 1.00 0.00 O ATOM 1733 CB ASP A 109 -26.117 16.663 -4.054 1.00 0.00 C ATOM 1734 CG ASP A 109 -25.943 17.447 -5.356 1.00 0.00 C ATOM 1735 OD1 ASP A 109 -25.153 17.017 -6.181 1.00 0.00 O ATOM 1736 OD2 ASP A 109 -26.602 18.461 -5.508 1.00 0.00 O ATOM 0 H ASP A 109 -25.105 14.560 -3.542 1.00 0.00 H new ATOM 0 HA ASP A 109 -24.041 17.277 -3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -26.431 15.642 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -26.900 17.115 -3.445 1.00 0.00 H new ATOM 1741 N ALA A 110 -24.466 18.377 -1.608 1.00 0.00 N ATOM 1742 CA ALA A 110 -24.612 18.965 -0.246 1.00 0.00 C ATOM 1743 C ALA A 110 -25.903 19.784 -0.153 1.00 0.00 C ATOM 1744 O ALA A 110 -25.890 20.938 0.226 1.00 0.00 O ATOM 1745 CB ALA A 110 -23.390 19.865 -0.074 1.00 0.00 C ATOM 0 H ALA A 110 -23.948 18.949 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 110 -24.670 18.201 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -23.422 20.338 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -22.483 19.267 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -23.392 20.633 -0.847 1.00 0.00 H new ATOM 1751 N VAL A 111 -27.018 19.196 -0.492 1.00 0.00 N ATOM 1752 CA VAL A 111 -28.306 19.943 -0.416 1.00 0.00 C ATOM 1753 C VAL A 111 -29.468 18.971 -0.206 1.00 0.00 C ATOM 1754 O VAL A 111 -29.706 18.091 -1.010 1.00 0.00 O ATOM 1755 CB VAL A 111 -28.443 20.651 -1.763 1.00 0.00 C ATOM 1756 CG1 VAL A 111 -29.853 21.233 -1.893 1.00 0.00 C ATOM 1757 CG2 VAL A 111 -27.416 21.783 -1.852 1.00 0.00 C ATOM 0 H VAL A 111 -27.093 18.232 -0.818 1.00 0.00 H new ATOM 0 HA VAL A 111 -28.321 20.647 0.416 1.00 0.00 H new ATOM 0 HB VAL A 111 -28.268 19.936 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -29.951 21.738 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -30.586 20.429 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -30.027 21.947 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -27.514 22.288 -2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -27.591 22.497 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -26.411 21.371 -1.759 1.00 0.00 H new ATOM 1767 N ILE A 112 -30.195 19.122 0.866 1.00 0.00 N ATOM 1768 CA ILE A 112 -31.340 18.205 1.122 1.00 0.00 C ATOM 1769 C ILE A 112 -32.651 18.997 1.165 1.00 0.00 C ATOM 1770 O ILE A 112 -32.705 20.097 1.679 1.00 0.00 O ATOM 1771 CB ILE A 112 -31.048 17.575 2.482 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -32.234 16.702 2.901 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -30.833 18.679 3.522 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -31.722 15.471 3.652 1.00 0.00 C ATOM 0 H ILE A 112 -30.046 19.840 1.575 1.00 0.00 H new ATOM 0 HA ILE A 112 -31.449 17.452 0.341 1.00 0.00 H new ATOM 0 HB ILE A 112 -30.149 16.962 2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -32.912 17.272 3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -32.802 16.395 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -30.625 18.229 4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -29.990 19.302 3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -31.731 19.293 3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -32.566 14.850 3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -31.061 14.897 3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -31.174 15.788 4.539 1.00 0.00 H new ATOM 1786 N LEU A 113 -33.705 18.445 0.630 1.00 0.00 N ATOM 1787 CA LEU A 113 -35.011 19.164 0.640 1.00 0.00 C ATOM 1788 C LEU A 113 -36.166 18.160 0.594 1.00 0.00 C ATOM 1789 O LEU A 113 -35.993 17.065 1.104 1.00 0.00 O ATOM 1790 CB LEU A 113 -34.997 20.025 -0.624 1.00 0.00 C ATOM 1791 CG LEU A 113 -34.632 21.463 -0.256 1.00 0.00 C ATOM 1792 CD1 LEU A 113 -33.593 21.997 -1.244 1.00 0.00 C ATOM 1793 CD2 LEU A 113 -35.886 22.337 -0.317 1.00 0.00 C ATOM 1794 OXT LEU A 113 -37.202 18.502 0.050 1.00 0.00 O ATOM 0 H LEU A 113 -33.719 17.527 0.186 1.00 0.00 H new ATOM 0 HA LEU A 113 -35.147 19.764 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -34.277 19.628 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -35.974 19.998 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 113 -34.219 21.485 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -33.334 23.022 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -32.699 21.375 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -34.005 21.975 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -35.628 23.363 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -36.297 22.313 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -36.628 21.959 0.386 1.00 0.00 H new TER 1806 LEU A 113