USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot 180:sc= 0.47 USER MOD Set 1.2: A 94 TYR OH : rot -130:sc= 0.152 USER MOD Set 2.1: A 59 HIS : no HD1:sc= 0.947 K(o=1.7,f=-2) USER MOD Set 2.2: A 61 TYR OH : rot -117:sc= 0.72 USER MOD Set 3.1: A 51 CYS SG : rot -150:sc= -0.191 USER MOD Set 3.2: A 60 THR OG1 : rot -105:sc= 0.661 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.0205 (180deg=-0.216) USER MOD Single : A 1 MET N :NH3+ -138:sc= 1.3 (180deg=0.329) USER MOD Single : A 3 HIS : no HD1:sc=-0.00323 X(o=-0.0032,f=-0.2) USER MOD Single : A 4 HIS : no HD1:sc= -0.959 X(o=-0.96,f=-0.59) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 8 HIS : no HD1:sc= -0.0405 X(o=-0.041,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.315 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -60:sc= 0.186 USER MOD Single : A 41 SER OG : rot -10:sc= -0.186 USER MOD Single : A 43 SER OG : rot -100:sc= -0.361 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.16) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.37) USER MOD Single : A 74 GLN : amide:sc= -0.637 K(o=-0.64,f=-1.3) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.02) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0.0903 X(o=0.09,f=-0.21) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 99 GLN : amide:sc= -0.925 K(o=-0.93,f=-2.1!) USER MOD Single : A 103 CYS SG : rot 140:sc= -0.834 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.856 0.953 -43.559 1.00 0.00 N ATOM 2 CA MET A 1 0.344 0.332 -42.946 1.00 0.00 C ATOM 3 C MET A 1 -0.054 -0.413 -41.657 1.00 0.00 C ATOM 4 O MET A 1 -1.226 -0.374 -41.242 1.00 0.00 O ATOM 5 CB MET A 1 1.436 1.405 -42.661 1.00 0.00 C ATOM 6 CG MET A 1 1.050 2.477 -41.624 1.00 0.00 C ATOM 7 SD MET A 1 -0.355 3.501 -42.103 1.00 0.00 S ATOM 8 CE MET A 1 0.277 4.350 -43.551 1.00 0.00 C ATOM 0 H1 MET A 1 -0.829 0.817 -44.590 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.713 0.508 -43.173 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.868 1.971 -43.345 1.00 0.00 H new ATOM 0 HA MET A 1 0.766 -0.389 -43.646 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.338 0.899 -42.318 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.686 1.903 -43.598 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.821 1.985 -40.679 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.911 3.122 -41.447 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.398 5.162 -43.820 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.264 4.757 -43.332 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.349 3.648 -44.382 1.00 0.00 H new ATOM 20 N GLY A 2 0.926 -1.092 -41.031 1.00 0.00 N ATOM 21 CA GLY A 2 0.710 -1.848 -39.794 1.00 0.00 C ATOM 22 C GLY A 2 1.542 -1.291 -38.646 1.00 0.00 C ATOM 23 O GLY A 2 2.592 -1.846 -38.294 1.00 0.00 O ATOM 0 H GLY A 2 1.887 -1.129 -41.372 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.346 -1.817 -39.527 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.967 -2.895 -39.957 1.00 0.00 H new ATOM 27 N HIS A 3 1.085 -0.163 -38.082 1.00 0.00 N ATOM 28 CA HIS A 3 1.730 0.498 -36.930 1.00 0.00 C ATOM 29 C HIS A 3 0.859 0.364 -35.677 1.00 0.00 C ATOM 30 O HIS A 3 -0.375 0.285 -35.765 1.00 0.00 O ATOM 31 CB HIS A 3 1.989 2.001 -37.232 1.00 0.00 C ATOM 32 CG HIS A 3 3.096 2.270 -38.215 1.00 0.00 C ATOM 33 ND1 HIS A 3 3.130 3.388 -39.022 1.00 0.00 N ATOM 34 CD2 HIS A 3 4.240 1.595 -38.467 1.00 0.00 C ATOM 35 CE1 HIS A 3 4.246 3.386 -39.724 1.00 0.00 C ATOM 36 NE2 HIS A 3 4.938 2.311 -39.406 1.00 0.00 N ATOM 0 H HIS A 3 0.251 0.322 -38.413 1.00 0.00 H new ATOM 0 HA HIS A 3 2.686 0.006 -36.752 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.069 2.443 -37.614 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.223 2.509 -36.296 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.547 0.664 -38.013 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.543 4.139 -40.439 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.845 2.053 -39.795 1.00 0.00 H new ATOM 45 N HIS A 4 1.529 0.318 -34.512 1.00 0.00 N ATOM 46 CA HIS A 4 0.882 0.352 -33.196 1.00 0.00 C ATOM 47 C HIS A 4 1.901 0.836 -32.129 1.00 0.00 C ATOM 48 O HIS A 4 1.833 1.996 -31.710 1.00 0.00 O ATOM 49 CB HIS A 4 0.206 -1.029 -32.855 1.00 0.00 C ATOM 50 CG HIS A 4 1.044 -2.265 -33.076 1.00 0.00 C ATOM 51 ND1 HIS A 4 1.240 -2.816 -34.322 1.00 0.00 N ATOM 52 CD2 HIS A 4 1.717 -3.062 -32.208 1.00 0.00 C ATOM 53 CE1 HIS A 4 1.997 -3.890 -34.214 1.00 0.00 C ATOM 54 NE2 HIS A 4 2.300 -4.060 -32.942 1.00 0.00 N ATOM 0 H HIS A 4 2.546 0.256 -34.461 1.00 0.00 H new ATOM 0 HA HIS A 4 0.064 1.072 -33.204 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.102 -1.009 -31.810 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -0.701 -1.121 -33.453 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.781 -2.933 -31.138 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.315 -4.523 -35.029 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.876 -4.813 -32.566 1.00 0.00 H new ATOM 63 N HIS A 5 2.865 -0.043 -31.768 1.00 0.00 N ATOM 64 CA HIS A 5 3.926 0.202 -30.754 1.00 0.00 C ATOM 65 C HIS A 5 3.432 0.974 -29.500 1.00 0.00 C ATOM 66 O HIS A 5 3.610 2.194 -29.390 1.00 0.00 O ATOM 67 CB HIS A 5 5.161 0.877 -31.420 1.00 0.00 C ATOM 68 CG HIS A 5 6.301 1.182 -30.482 1.00 0.00 C ATOM 69 ND1 HIS A 5 6.836 0.259 -29.609 1.00 0.00 N ATOM 70 CD2 HIS A 5 6.971 2.332 -30.261 1.00 0.00 C ATOM 71 CE1 HIS A 5 7.780 0.830 -28.890 1.00 0.00 C ATOM 72 NE2 HIS A 5 7.882 2.084 -29.268 1.00 0.00 N ATOM 0 H HIS A 5 2.931 -0.971 -32.185 1.00 0.00 H new ATOM 0 HA HIS A 5 4.229 -0.772 -30.370 1.00 0.00 H new ATOM 0 HB2 HIS A 5 5.528 0.227 -32.214 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.839 1.806 -31.891 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.818 3.272 -30.771 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.369 0.350 -28.122 1.00 0.00 H new ATOM 0 HE2 HIS A 5 8.536 2.765 -28.883 1.00 0.00 H new ATOM 81 N HIS A 6 2.763 0.256 -28.587 1.00 0.00 N ATOM 82 CA HIS A 6 2.289 0.814 -27.302 1.00 0.00 C ATOM 83 C HIS A 6 2.554 -0.189 -26.170 1.00 0.00 C ATOM 84 O HIS A 6 2.475 -1.404 -26.377 1.00 0.00 O ATOM 85 CB HIS A 6 0.769 1.143 -27.348 1.00 0.00 C ATOM 86 CG HIS A 6 0.373 2.213 -28.335 1.00 0.00 C ATOM 87 ND1 HIS A 6 -0.432 1.964 -29.419 1.00 0.00 N ATOM 88 CD2 HIS A 6 0.642 3.541 -28.368 1.00 0.00 C ATOM 89 CE1 HIS A 6 -0.644 3.083 -30.079 1.00 0.00 C ATOM 90 NE2 HIS A 6 -0.005 4.061 -29.461 1.00 0.00 N ATOM 0 H HIS A 6 2.532 -0.729 -28.714 1.00 0.00 H new ATOM 0 HA HIS A 6 2.836 1.739 -27.120 1.00 0.00 H new ATOM 0 HB2 HIS A 6 0.223 0.230 -27.587 1.00 0.00 H new ATOM 0 HB3 HIS A 6 0.450 1.453 -26.353 1.00 0.00 H new ATOM 0 HD2 HIS A 6 1.252 4.088 -27.665 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -1.239 3.185 -30.974 1.00 0.00 H new ATOM 0 HE2 HIS A 6 0.006 5.040 -29.749 1.00 0.00 H new ATOM 99 N HIS A 7 2.852 0.334 -24.976 1.00 0.00 N ATOM 100 CA HIS A 7 2.980 -0.458 -23.744 1.00 0.00 C ATOM 101 C HIS A 7 1.725 -0.188 -22.906 1.00 0.00 C ATOM 102 O HIS A 7 1.781 0.393 -21.814 1.00 0.00 O ATOM 103 CB HIS A 7 4.285 -0.094 -22.980 1.00 0.00 C ATOM 104 CG HIS A 7 5.549 -0.328 -23.762 1.00 0.00 C ATOM 105 ND1 HIS A 7 6.326 0.692 -24.260 1.00 0.00 N ATOM 106 CD2 HIS A 7 6.159 -1.476 -24.135 1.00 0.00 C ATOM 107 CE1 HIS A 7 7.353 0.187 -24.909 1.00 0.00 C ATOM 108 NE2 HIS A 7 7.278 -1.126 -24.847 1.00 0.00 N ATOM 0 H HIS A 7 3.013 1.331 -24.834 1.00 0.00 H new ATOM 0 HA HIS A 7 3.055 -1.522 -23.968 1.00 0.00 H new ATOM 0 HB2 HIS A 7 4.241 0.956 -22.690 1.00 0.00 H new ATOM 0 HB3 HIS A 7 4.328 -0.677 -22.060 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.827 -2.480 -23.914 1.00 0.00 H new ATOM 0 HE1 HIS A 7 8.126 0.753 -25.408 1.00 0.00 H new ATOM 0 HE2 HIS A 7 7.944 -1.778 -25.261 1.00 0.00 H new ATOM 117 N HIS A 8 0.576 -0.578 -23.480 1.00 0.00 N ATOM 118 CA HIS A 8 -0.754 -0.341 -22.888 1.00 0.00 C ATOM 119 C HIS A 8 -1.158 -1.550 -22.029 1.00 0.00 C ATOM 120 O HIS A 8 -0.830 -2.690 -22.384 1.00 0.00 O ATOM 121 CB HIS A 8 -1.811 -0.067 -24.004 1.00 0.00 C ATOM 122 CG HIS A 8 -2.111 -1.238 -24.918 1.00 0.00 C ATOM 123 ND1 HIS A 8 -3.243 -2.017 -24.792 1.00 0.00 N ATOM 124 CD2 HIS A 8 -1.433 -1.748 -25.979 1.00 0.00 C ATOM 125 CE1 HIS A 8 -3.248 -2.943 -25.727 1.00 0.00 C ATOM 126 NE2 HIS A 8 -2.165 -2.804 -26.460 1.00 0.00 N ATOM 0 H HIS A 8 0.541 -1.070 -24.373 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.710 0.542 -22.250 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.740 0.250 -23.530 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.463 0.767 -24.613 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.493 -1.389 -26.371 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.013 -3.692 -25.869 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.910 -3.387 -27.257 1.00 0.00 H new ATOM 135 N SER A 9 -1.851 -1.266 -20.901 1.00 0.00 N ATOM 136 CA SER A 9 -2.363 -2.271 -19.946 1.00 0.00 C ATOM 137 C SER A 9 -1.216 -2.963 -19.166 1.00 0.00 C ATOM 138 O SER A 9 -0.315 -3.561 -19.762 1.00 0.00 O ATOM 139 CB SER A 9 -3.277 -3.313 -20.646 1.00 0.00 C ATOM 140 OG SER A 9 -3.797 -4.245 -19.720 1.00 0.00 O ATOM 0 H SER A 9 -2.073 -0.309 -20.626 1.00 0.00 H new ATOM 0 HA SER A 9 -2.973 -1.735 -19.219 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.097 -2.801 -21.149 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.710 -3.839 -21.415 1.00 0.00 H new ATOM 0 HG SER A 9 -4.370 -4.887 -20.189 1.00 0.00 H new ATOM 146 N HIS A 10 -1.254 -2.849 -17.825 1.00 0.00 N ATOM 147 CA HIS A 10 -0.320 -3.539 -16.911 1.00 0.00 C ATOM 148 C HIS A 10 -1.117 -4.097 -15.720 1.00 0.00 C ATOM 149 O HIS A 10 -1.509 -3.337 -14.820 1.00 0.00 O ATOM 150 CB HIS A 10 0.798 -2.582 -16.395 1.00 0.00 C ATOM 151 CG HIS A 10 1.697 -2.032 -17.467 1.00 0.00 C ATOM 152 ND1 HIS A 10 1.624 -0.734 -17.908 1.00 0.00 N ATOM 153 CD2 HIS A 10 2.690 -2.614 -18.184 1.00 0.00 C ATOM 154 CE1 HIS A 10 2.523 -0.534 -18.846 1.00 0.00 C ATOM 155 NE2 HIS A 10 3.189 -1.659 -19.035 1.00 0.00 N ATOM 0 H HIS A 10 -1.940 -2.270 -17.340 1.00 0.00 H new ATOM 0 HA HIS A 10 0.167 -4.346 -17.458 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.331 -1.749 -15.869 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.408 -3.117 -15.667 1.00 0.00 H new ATOM 0 HD2 HIS A 10 3.026 -3.637 -18.101 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.689 0.394 -19.373 1.00 0.00 H new ATOM 0 HE2 HIS A 10 3.948 -1.796 -19.702 1.00 0.00 H new ATOM 164 N MET A 11 -1.393 -5.418 -15.736 1.00 0.00 N ATOM 165 CA MET A 11 -2.047 -6.108 -14.613 1.00 0.00 C ATOM 166 C MET A 11 -1.026 -6.269 -13.476 1.00 0.00 C ATOM 167 O MET A 11 -0.199 -7.191 -13.496 1.00 0.00 O ATOM 168 CB MET A 11 -2.623 -7.491 -15.046 1.00 0.00 C ATOM 169 CG MET A 11 -3.343 -8.250 -13.922 1.00 0.00 C ATOM 170 SD MET A 11 -3.916 -9.888 -14.432 1.00 0.00 S ATOM 171 CE MET A 11 -4.572 -10.531 -12.893 1.00 0.00 C ATOM 0 H MET A 11 -1.170 -6.028 -16.522 1.00 0.00 H new ATOM 0 HA MET A 11 -2.892 -5.511 -14.269 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.319 -7.340 -15.872 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.809 -8.109 -15.424 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.669 -8.355 -13.072 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.196 -7.662 -13.582 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.961 -11.536 -13.055 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.779 -10.565 -12.146 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.375 -9.884 -12.541 1.00 0.00 H new ATOM 181 N SER A 12 -1.055 -5.319 -12.538 1.00 0.00 N ATOM 182 CA SER A 12 -0.159 -5.288 -11.374 1.00 0.00 C ATOM 183 C SER A 12 -0.640 -4.218 -10.385 1.00 0.00 C ATOM 184 O SER A 12 -1.435 -3.334 -10.734 1.00 0.00 O ATOM 185 CB SER A 12 1.315 -4.995 -11.803 1.00 0.00 C ATOM 186 OG SER A 12 2.203 -5.028 -10.691 1.00 0.00 O ATOM 0 H SER A 12 -1.710 -4.538 -12.564 1.00 0.00 H new ATOM 0 HA SER A 12 -0.181 -6.267 -10.895 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.631 -5.730 -12.543 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.367 -4.017 -12.282 1.00 0.00 H new ATOM 0 HG SER A 12 3.116 -4.842 -10.996 1.00 0.00 H new ATOM 192 N TRP A 13 -0.145 -4.314 -9.149 1.00 0.00 N ATOM 193 CA TRP A 13 -0.291 -3.248 -8.138 1.00 0.00 C ATOM 194 C TRP A 13 0.667 -2.090 -8.472 1.00 0.00 C ATOM 195 O TRP A 13 0.360 -0.937 -8.201 1.00 0.00 O ATOM 196 CB TRP A 13 -0.052 -3.797 -6.686 1.00 0.00 C ATOM 197 CG TRP A 13 0.871 -5.001 -6.602 1.00 0.00 C ATOM 198 CD1 TRP A 13 0.489 -6.309 -6.500 1.00 0.00 C ATOM 199 CD2 TRP A 13 2.307 -5.015 -6.648 1.00 0.00 C ATOM 200 NE1 TRP A 13 1.586 -7.125 -6.480 1.00 0.00 N ATOM 201 CE2 TRP A 13 2.713 -6.359 -6.573 1.00 0.00 C ATOM 202 CE3 TRP A 13 3.284 -4.028 -6.743 1.00 0.00 C ATOM 203 CZ2 TRP A 13 4.053 -6.737 -6.597 1.00 0.00 C ATOM 204 CZ3 TRP A 13 4.610 -4.400 -6.763 1.00 0.00 C ATOM 205 CH2 TRP A 13 4.985 -5.746 -6.699 1.00 0.00 C ATOM 0 H TRP A 13 0.369 -5.129 -8.815 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.314 -2.874 -8.165 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.363 -2.996 -6.074 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.015 -4.065 -6.251 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.534 -6.650 -6.443 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.566 -8.142 -6.407 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.006 -2.986 -6.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.343 -7.775 -6.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 5.374 -3.639 -6.829 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.033 -6.006 -6.731 1.00 0.00 H new ATOM 216 N TYR A 14 1.782 -2.405 -9.157 1.00 0.00 N ATOM 217 CA TYR A 14 2.839 -1.421 -9.436 1.00 0.00 C ATOM 218 C TYR A 14 2.405 -0.504 -10.589 1.00 0.00 C ATOM 219 O TYR A 14 2.105 -0.968 -11.695 1.00 0.00 O ATOM 220 CB TYR A 14 4.204 -2.080 -9.766 1.00 0.00 C ATOM 221 CG TYR A 14 5.299 -1.035 -10.090 1.00 0.00 C ATOM 222 CD1 TYR A 14 5.802 -0.180 -9.096 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.787 -0.869 -11.390 1.00 0.00 C ATOM 224 CE1 TYR A 14 6.751 0.784 -9.390 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.730 0.097 -11.682 1.00 0.00 C ATOM 226 CZ TYR A 14 7.210 0.916 -10.687 1.00 0.00 C ATOM 227 OH TYR A 14 8.153 1.875 -10.992 1.00 0.00 O ATOM 0 H TYR A 14 1.972 -3.336 -9.527 1.00 0.00 H new ATOM 0 HA TYR A 14 2.982 -0.837 -8.527 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.525 -2.689 -8.920 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.084 -2.752 -10.615 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.441 -0.276 -8.083 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.420 -1.508 -12.180 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.130 1.429 -8.611 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.091 0.209 -12.694 1.00 0.00 H new ATOM 0 HH TYR A 14 8.366 1.832 -11.948 1.00 0.00 H new ATOM 237 N HIS A 15 2.358 0.798 -10.293 1.00 0.00 N ATOM 238 CA HIS A 15 2.069 1.862 -11.259 1.00 0.00 C ATOM 239 C HIS A 15 3.021 3.029 -10.960 1.00 0.00 C ATOM 240 O HIS A 15 3.171 3.404 -9.795 1.00 0.00 O ATOM 241 CB HIS A 15 0.585 2.338 -11.137 1.00 0.00 C ATOM 242 CG HIS A 15 -0.451 1.244 -11.262 1.00 0.00 C ATOM 243 ND1 HIS A 15 -0.718 0.593 -12.444 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.281 0.684 -10.338 1.00 0.00 C ATOM 245 CE1 HIS A 15 -1.659 -0.313 -12.252 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.022 -0.279 -10.981 1.00 0.00 N ATOM 0 H HIS A 15 2.524 1.150 -9.350 1.00 0.00 H new ATOM 0 HA HIS A 15 2.213 1.493 -12.274 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.456 2.831 -10.174 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.395 3.087 -11.906 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.345 0.948 -9.293 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.064 -0.971 -13.006 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.733 -0.869 -10.549 1.00 0.00 H new ATOM 255 N ARG A 16 3.696 3.582 -11.988 1.00 0.00 N ATOM 256 CA ARG A 16 4.440 4.856 -11.847 1.00 0.00 C ATOM 257 C ARG A 16 3.425 5.963 -11.525 1.00 0.00 C ATOM 258 O ARG A 16 2.333 5.944 -12.114 1.00 0.00 O ATOM 259 CB ARG A 16 5.206 5.197 -13.145 1.00 0.00 C ATOM 260 CG ARG A 16 6.210 4.115 -13.612 1.00 0.00 C ATOM 261 CD ARG A 16 6.908 4.511 -14.925 1.00 0.00 C ATOM 262 NE ARG A 16 5.934 4.896 -15.973 1.00 0.00 N ATOM 263 CZ ARG A 16 6.177 5.743 -16.986 1.00 0.00 C ATOM 264 NH1 ARG A 16 7.390 6.261 -17.166 1.00 0.00 N ATOM 265 NH2 ARG A 16 5.198 6.056 -17.826 1.00 0.00 N ATOM 0 H ARG A 16 3.743 3.171 -12.921 1.00 0.00 H new ATOM 0 HA ARG A 16 5.175 4.766 -11.047 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.483 5.369 -13.942 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.745 6.133 -12.996 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.959 3.955 -12.836 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.687 3.169 -13.750 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.588 5.342 -14.738 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.513 3.677 -15.280 1.00 0.00 H new ATOM 0 HE ARG A 16 5.002 4.484 -15.921 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.149 6.016 -16.530 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.561 6.903 -17.940 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.269 5.654 -17.699 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.374 6.699 -18.598 1.00 0.00 H new ATOM 279 N ASP A 17 3.786 6.895 -10.606 1.00 0.00 N ATOM 280 CA ASP A 17 2.882 7.872 -9.941 1.00 0.00 C ATOM 281 C ASP A 17 1.607 8.270 -10.712 1.00 0.00 C ATOM 282 O ASP A 17 1.584 9.246 -11.471 1.00 0.00 O ATOM 283 CB ASP A 17 3.680 9.149 -9.558 1.00 0.00 C ATOM 284 CG ASP A 17 2.910 10.100 -8.619 1.00 0.00 C ATOM 285 OD1 ASP A 17 2.342 9.615 -7.610 1.00 0.00 O ATOM 286 OD2 ASP A 17 2.860 11.319 -8.878 1.00 0.00 O ATOM 0 H ASP A 17 4.753 6.991 -10.295 1.00 0.00 H new ATOM 0 HA ASP A 17 2.513 7.341 -9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.613 8.854 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.947 9.687 -10.468 1.00 0.00 H new ATOM 291 N LEU A 18 0.588 7.411 -10.573 1.00 0.00 N ATOM 292 CA LEU A 18 -0.788 7.732 -10.962 1.00 0.00 C ATOM 293 C LEU A 18 -1.351 8.863 -10.053 1.00 0.00 C ATOM 294 O LEU A 18 -2.366 9.471 -10.405 1.00 0.00 O ATOM 295 CB LEU A 18 -1.650 6.420 -10.964 1.00 0.00 C ATOM 296 CG LEU A 18 -2.057 5.809 -9.571 1.00 0.00 C ATOM 297 CD1 LEU A 18 -3.366 6.417 -9.048 1.00 0.00 C ATOM 298 CD2 LEU A 18 -2.179 4.274 -9.616 1.00 0.00 C ATOM 0 H LEU A 18 0.697 6.473 -10.187 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.822 8.125 -11.978 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.564 6.621 -11.522 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.100 5.658 -11.516 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.250 6.064 -8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.615 5.971 -8.085 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.245 7.494 -8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.169 6.218 -9.758 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.462 3.902 -8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.940 3.991 -10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.222 3.841 -9.906 1.00 0.00 H new ATOM 310 N SER A 19 -0.682 9.048 -8.870 1.00 0.00 N ATOM 311 CA SER A 19 -0.893 10.129 -7.870 1.00 0.00 C ATOM 312 C SER A 19 -1.740 9.611 -6.701 1.00 0.00 C ATOM 313 O SER A 19 -2.672 8.856 -6.919 1.00 0.00 O ATOM 314 CB SER A 19 -1.469 11.452 -8.440 1.00 0.00 C ATOM 315 OG SER A 19 -1.514 12.462 -7.443 1.00 0.00 O ATOM 0 H SER A 19 0.057 8.408 -8.581 1.00 0.00 H new ATOM 0 HA SER A 19 0.102 10.398 -7.517 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.856 11.789 -9.276 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.472 11.277 -8.830 1.00 0.00 H new ATOM 0 HG SER A 19 -1.879 13.286 -7.828 1.00 0.00 H new ATOM 321 N ARG A 20 -1.374 9.996 -5.455 1.00 0.00 N ATOM 322 CA ARG A 20 -2.042 9.519 -4.216 1.00 0.00 C ATOM 323 C ARG A 20 -3.519 9.959 -4.145 1.00 0.00 C ATOM 324 O ARG A 20 -4.384 9.159 -3.767 1.00 0.00 O ATOM 325 CB ARG A 20 -1.225 9.986 -2.968 1.00 0.00 C ATOM 326 CG ARG A 20 -1.676 9.417 -1.587 1.00 0.00 C ATOM 327 CD ARG A 20 -2.821 10.215 -0.918 1.00 0.00 C ATOM 328 NE ARG A 20 -2.465 11.639 -0.755 1.00 0.00 N ATOM 329 CZ ARG A 20 -3.288 12.685 -0.941 1.00 0.00 C ATOM 330 NH1 ARG A 20 -4.544 12.519 -1.314 1.00 0.00 N ATOM 331 NH2 ARG A 20 -2.840 13.908 -0.740 1.00 0.00 N ATOM 0 H ARG A 20 -0.608 10.646 -5.279 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.060 8.429 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.181 9.716 -3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.269 11.074 -2.919 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.997 8.384 -1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.818 9.401 -0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.725 10.132 -1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.047 9.782 0.056 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.506 11.848 -0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.910 11.580 -1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.148 13.330 -1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.875 14.056 -0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.459 14.707 -0.879 1.00 0.00 H new ATOM 345 N ALA A 21 -3.781 11.232 -4.465 1.00 0.00 N ATOM 346 CA ALA A 21 -5.153 11.769 -4.586 1.00 0.00 C ATOM 347 C ALA A 21 -5.995 10.903 -5.552 1.00 0.00 C ATOM 348 O ALA A 21 -7.092 10.433 -5.202 1.00 0.00 O ATOM 349 CB ALA A 21 -5.099 13.235 -5.051 1.00 0.00 C ATOM 0 H ALA A 21 -3.053 11.923 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.637 11.735 -3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.112 13.626 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.543 13.827 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.603 13.291 -6.020 1.00 0.00 H new ATOM 355 N ALA A 22 -5.418 10.647 -6.739 1.00 0.00 N ATOM 356 CA ALA A 22 -6.045 9.819 -7.786 1.00 0.00 C ATOM 357 C ALA A 22 -6.099 8.331 -7.380 1.00 0.00 C ATOM 358 O ALA A 22 -6.928 7.597 -7.895 1.00 0.00 O ATOM 359 CB ALA A 22 -5.291 9.993 -9.115 1.00 0.00 C ATOM 0 H ALA A 22 -4.501 11.009 -7.001 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.073 10.157 -7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.760 9.378 -9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.324 11.040 -9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.253 9.685 -8.988 1.00 0.00 H new ATOM 365 N ALA A 23 -5.192 7.907 -6.472 1.00 0.00 N ATOM 366 CA ALA A 23 -5.135 6.524 -5.949 1.00 0.00 C ATOM 367 C ALA A 23 -6.351 6.222 -5.073 1.00 0.00 C ATOM 368 O ALA A 23 -7.098 5.296 -5.364 1.00 0.00 O ATOM 369 CB ALA A 23 -3.834 6.286 -5.155 1.00 0.00 C ATOM 0 H ALA A 23 -4.476 8.518 -6.080 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.146 5.846 -6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.818 5.262 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.975 6.449 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.788 6.979 -4.315 1.00 0.00 H new ATOM 375 N GLU A 24 -6.529 7.024 -4.004 1.00 0.00 N ATOM 376 CA GLU A 24 -7.695 6.941 -3.088 1.00 0.00 C ATOM 377 C GLU A 24 -9.028 7.014 -3.855 1.00 0.00 C ATOM 378 O GLU A 24 -9.991 6.328 -3.509 1.00 0.00 O ATOM 379 CB GLU A 24 -7.655 8.106 -2.068 1.00 0.00 C ATOM 380 CG GLU A 24 -6.375 8.195 -1.227 1.00 0.00 C ATOM 381 CD GLU A 24 -6.422 9.354 -0.220 1.00 0.00 C ATOM 382 OE1 GLU A 24 -6.385 10.525 -0.653 1.00 0.00 O ATOM 383 OE2 GLU A 24 -6.547 9.105 0.998 1.00 0.00 O ATOM 0 H GLU A 24 -5.865 7.754 -3.746 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.633 5.981 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.782 9.045 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.507 8.008 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.228 7.257 -0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.517 8.324 -1.887 1.00 0.00 H new ATOM 390 N GLU A 25 -9.046 7.864 -4.892 1.00 0.00 N ATOM 391 CA GLU A 25 -10.235 8.088 -5.732 1.00 0.00 C ATOM 392 C GLU A 25 -10.502 6.849 -6.614 1.00 0.00 C ATOM 393 O GLU A 25 -11.642 6.386 -6.723 1.00 0.00 O ATOM 394 CB GLU A 25 -10.038 9.354 -6.611 1.00 0.00 C ATOM 395 CG GLU A 25 -11.300 9.807 -7.370 1.00 0.00 C ATOM 396 CD GLU A 25 -11.104 11.112 -8.162 1.00 0.00 C ATOM 397 OE1 GLU A 25 -11.097 12.199 -7.545 1.00 0.00 O ATOM 398 OE2 GLU A 25 -10.964 11.061 -9.403 1.00 0.00 O ATOM 0 H GLU A 25 -8.236 8.417 -5.173 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.100 8.247 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.698 10.172 -5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.245 9.160 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.605 9.017 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.114 9.942 -6.658 1.00 0.00 H new ATOM 405 N LEU A 26 -9.416 6.321 -7.220 1.00 0.00 N ATOM 406 CA LEU A 26 -9.451 5.118 -8.086 1.00 0.00 C ATOM 407 C LEU A 26 -9.967 3.898 -7.314 1.00 0.00 C ATOM 408 O LEU A 26 -10.789 3.141 -7.821 1.00 0.00 O ATOM 409 CB LEU A 26 -8.033 4.827 -8.656 1.00 0.00 C ATOM 410 CG LEU A 26 -7.881 3.588 -9.592 1.00 0.00 C ATOM 411 CD1 LEU A 26 -8.891 3.635 -10.753 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.419 3.457 -10.095 1.00 0.00 C ATOM 0 H LEU A 26 -8.482 6.720 -7.122 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.136 5.314 -8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.703 5.708 -9.206 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.350 4.701 -7.816 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.109 2.693 -9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.759 2.758 -11.386 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.905 3.644 -10.353 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.726 4.537 -11.343 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.335 2.587 -10.746 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.144 4.354 -10.650 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.750 3.338 -9.243 1.00 0.00 H new ATOM 424 N LEU A 27 -9.481 3.739 -6.076 1.00 0.00 N ATOM 425 CA LEU A 27 -9.876 2.644 -5.186 1.00 0.00 C ATOM 426 C LEU A 27 -11.369 2.803 -4.814 1.00 0.00 C ATOM 427 O LEU A 27 -12.148 1.877 -4.987 1.00 0.00 O ATOM 428 CB LEU A 27 -8.977 2.628 -3.911 1.00 0.00 C ATOM 429 CG LEU A 27 -7.445 2.423 -4.123 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.677 2.494 -2.785 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.145 1.115 -4.885 1.00 0.00 C ATOM 0 H LEU A 27 -8.797 4.373 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.740 1.691 -5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.122 3.571 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.336 1.836 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.089 3.244 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.613 2.347 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.835 3.470 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.041 1.715 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.068 1.007 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.529 0.267 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.626 1.145 -5.863 1.00 0.00 H new ATOM 443 N ALA A 28 -11.742 4.027 -4.372 1.00 0.00 N ATOM 444 CA ALA A 28 -13.108 4.354 -3.873 1.00 0.00 C ATOM 445 C ALA A 28 -14.190 4.125 -4.938 1.00 0.00 C ATOM 446 O ALA A 28 -15.317 3.720 -4.623 1.00 0.00 O ATOM 447 CB ALA A 28 -13.153 5.807 -3.364 1.00 0.00 C ATOM 0 H ALA A 28 -11.104 4.823 -4.350 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.324 3.675 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.156 6.035 -3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.437 5.930 -2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.898 6.486 -4.178 1.00 0.00 H new ATOM 453 N ARG A 29 -13.817 4.382 -6.191 1.00 0.00 N ATOM 454 CA ARG A 29 -14.707 4.260 -7.347 1.00 0.00 C ATOM 455 C ARG A 29 -14.768 2.794 -7.821 1.00 0.00 C ATOM 456 O ARG A 29 -15.855 2.221 -7.963 1.00 0.00 O ATOM 457 CB ARG A 29 -14.190 5.189 -8.474 1.00 0.00 C ATOM 458 CG ARG A 29 -15.162 5.396 -9.651 1.00 0.00 C ATOM 459 CD ARG A 29 -14.566 6.308 -10.731 1.00 0.00 C ATOM 460 NE ARG A 29 -15.555 6.714 -11.740 1.00 0.00 N ATOM 461 CZ ARG A 29 -15.300 7.532 -12.766 1.00 0.00 C ATOM 462 NH1 ARG A 29 -14.075 8.021 -12.959 1.00 0.00 N ATOM 463 NH2 ARG A 29 -16.280 7.864 -13.592 1.00 0.00 N ATOM 0 H ARG A 29 -12.874 4.685 -6.436 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.718 4.560 -7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.955 6.162 -8.042 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.257 4.779 -8.862 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.412 4.430 -10.089 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.092 5.829 -9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.148 7.197 -10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.742 5.791 -11.223 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.502 6.346 -11.651 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.320 7.772 -12.320 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.893 8.644 -13.746 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.220 7.496 -13.443 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.095 8.488 -14.378 1.00 0.00 H new ATOM 477 N ALA A 30 -13.586 2.185 -8.014 1.00 0.00 N ATOM 478 CA ALA A 30 -13.463 0.856 -8.642 1.00 0.00 C ATOM 479 C ALA A 30 -13.779 -0.288 -7.658 1.00 0.00 C ATOM 480 O ALA A 30 -14.735 -1.040 -7.876 1.00 0.00 O ATOM 481 CB ALA A 30 -12.059 0.684 -9.244 1.00 0.00 C ATOM 0 H ALA A 30 -12.693 2.596 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 30 -14.204 0.800 -9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.979 -0.300 -9.705 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.890 1.453 -9.998 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.311 0.778 -8.456 1.00 0.00 H new ATOM 487 N GLY A 31 -12.992 -0.419 -6.566 1.00 0.00 N ATOM 488 CA GLY A 31 -13.088 -1.584 -5.667 1.00 0.00 C ATOM 489 C GLY A 31 -13.729 -1.261 -4.312 1.00 0.00 C ATOM 490 O GLY A 31 -14.787 -1.801 -3.961 1.00 0.00 O ATOM 0 H GLY A 31 -12.288 0.265 -6.290 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.669 -2.365 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.089 -1.987 -5.500 1.00 0.00 H new ATOM 494 N ARG A 32 -13.076 -0.330 -3.587 1.00 0.00 N ATOM 495 CA ARG A 32 -13.444 0.129 -2.219 1.00 0.00 C ATOM 496 C ARG A 32 -13.678 -1.034 -1.206 1.00 0.00 C ATOM 497 O ARG A 32 -14.548 -0.953 -0.321 1.00 0.00 O ATOM 498 CB ARG A 32 -14.668 1.092 -2.334 1.00 0.00 C ATOM 499 CG ARG A 32 -15.000 1.933 -1.070 1.00 0.00 C ATOM 500 CD ARG A 32 -16.227 2.837 -1.270 1.00 0.00 C ATOM 501 NE ARG A 32 -17.441 2.057 -1.596 1.00 0.00 N ATOM 502 CZ ARG A 32 -18.474 2.489 -2.339 1.00 0.00 C ATOM 503 NH1 ARG A 32 -18.457 3.695 -2.901 1.00 0.00 N ATOM 504 NH2 ARG A 32 -19.513 1.693 -2.540 1.00 0.00 N ATOM 0 H ARG A 32 -12.247 0.144 -3.945 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.597 0.668 -1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.489 1.776 -3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.546 0.501 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.179 1.263 -0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.138 2.548 -0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.401 3.418 -0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.027 3.548 -2.071 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.499 1.109 -1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.651 4.307 -2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.249 4.007 -3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.526 0.758 -2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.300 2.015 -3.103 1.00 0.00 H new ATOM 518 N ASP A 33 -12.827 -2.070 -1.269 1.00 0.00 N ATOM 519 CA ASP A 33 -13.027 -3.315 -0.505 1.00 0.00 C ATOM 520 C ASP A 33 -11.754 -4.180 -0.621 1.00 0.00 C ATOM 521 O ASP A 33 -11.629 -5.006 -1.537 1.00 0.00 O ATOM 522 CB ASP A 33 -14.289 -4.075 -1.017 1.00 0.00 C ATOM 523 CG ASP A 33 -14.526 -5.404 -0.290 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.990 -5.380 0.871 1.00 0.00 O ATOM 525 OD2 ASP A 33 -14.245 -6.479 -0.873 1.00 0.00 O ATOM 0 H ASP A 33 -11.986 -2.071 -1.846 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.199 -3.083 0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.165 -3.438 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.183 -4.266 -2.085 1.00 0.00 H new ATOM 530 N GLY A 34 -10.754 -3.893 0.243 1.00 0.00 N ATOM 531 CA GLY A 34 -9.460 -4.595 0.209 1.00 0.00 C ATOM 532 C GLY A 34 -8.648 -4.198 -1.019 1.00 0.00 C ATOM 533 O GLY A 34 -7.758 -4.930 -1.468 1.00 0.00 O ATOM 0 H GLY A 34 -10.823 -3.180 0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.895 -4.364 1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.628 -5.672 0.204 1.00 0.00 H new ATOM 537 N SER A 35 -8.973 -3.012 -1.552 1.00 0.00 N ATOM 538 CA SER A 35 -8.457 -2.521 -2.820 1.00 0.00 C ATOM 539 C SER A 35 -7.137 -1.806 -2.576 1.00 0.00 C ATOM 540 O SER A 35 -7.096 -0.820 -1.836 1.00 0.00 O ATOM 541 CB SER A 35 -9.493 -1.567 -3.438 1.00 0.00 C ATOM 542 OG SER A 35 -10.770 -2.171 -3.481 1.00 0.00 O ATOM 0 H SER A 35 -9.614 -2.361 -1.099 1.00 0.00 H new ATOM 0 HA SER A 35 -8.281 -3.346 -3.511 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.540 -0.647 -2.855 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.183 -1.290 -4.446 1.00 0.00 H new ATOM 0 HG SER A 35 -10.729 -2.985 -4.025 1.00 0.00 H new ATOM 548 N PHE A 36 -6.064 -2.298 -3.197 1.00 0.00 N ATOM 549 CA PHE A 36 -4.722 -1.764 -2.979 1.00 0.00 C ATOM 550 C PHE A 36 -4.017 -1.514 -4.312 1.00 0.00 C ATOM 551 O PHE A 36 -4.379 -2.096 -5.345 1.00 0.00 O ATOM 552 CB PHE A 36 -3.885 -2.716 -2.081 1.00 0.00 C ATOM 553 CG PHE A 36 -3.448 -4.019 -2.762 1.00 0.00 C ATOM 554 CD1 PHE A 36 -4.357 -5.050 -2.988 1.00 0.00 C ATOM 555 CD2 PHE A 36 -2.126 -4.207 -3.181 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.960 -6.218 -3.608 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.738 -5.378 -3.800 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.652 -6.381 -4.013 1.00 0.00 C ATOM 0 H PHE A 36 -6.101 -3.072 -3.860 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.817 -0.810 -2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.997 -2.184 -1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.468 -2.963 -1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.384 -4.934 -2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.399 -3.425 -3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.677 -7.008 -3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.714 -5.506 -4.118 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.346 -7.297 -4.497 1.00 0.00 H new ATOM 568 N LEU A 37 -3.011 -0.640 -4.257 1.00 0.00 N ATOM 569 CA LEU A 37 -2.076 -0.392 -5.355 1.00 0.00 C ATOM 570 C LEU A 37 -0.771 0.189 -4.788 1.00 0.00 C ATOM 571 O LEU A 37 -0.718 0.635 -3.640 1.00 0.00 O ATOM 572 CB LEU A 37 -2.724 0.524 -6.457 1.00 0.00 C ATOM 573 CG LEU A 37 -3.325 1.909 -6.001 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.248 2.990 -5.759 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.396 2.416 -6.999 1.00 0.00 C ATOM 0 H LEU A 37 -2.820 -0.073 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.836 -1.332 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.967 0.721 -7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.520 -0.044 -6.939 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.804 1.725 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.728 3.918 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.565 2.655 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.690 3.161 -6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.790 3.372 -6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.945 2.542 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.207 1.691 -7.062 1.00 0.00 H new ATOM 587 N VAL A 38 0.264 0.179 -5.613 1.00 0.00 N ATOM 588 CA VAL A 38 1.583 0.720 -5.307 1.00 0.00 C ATOM 589 C VAL A 38 1.894 1.792 -6.359 1.00 0.00 C ATOM 590 O VAL A 38 1.734 1.558 -7.557 1.00 0.00 O ATOM 591 CB VAL A 38 2.702 -0.395 -5.304 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.112 0.207 -5.058 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.377 -1.495 -4.257 1.00 0.00 C ATOM 0 H VAL A 38 0.208 -0.221 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 38 1.576 1.145 -4.303 1.00 0.00 H new ATOM 0 HB VAL A 38 2.713 -0.854 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.854 -0.591 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.344 0.924 -5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.129 0.712 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.160 -2.253 -4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.323 -1.048 -3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.420 -1.957 -4.500 1.00 0.00 H new ATOM 603 N ARG A 39 2.293 2.969 -5.891 1.00 0.00 N ATOM 604 CA ARG A 39 2.623 4.126 -6.735 1.00 0.00 C ATOM 605 C ARG A 39 4.036 4.620 -6.392 1.00 0.00 C ATOM 606 O ARG A 39 4.577 4.284 -5.340 1.00 0.00 O ATOM 607 CB ARG A 39 1.575 5.254 -6.532 1.00 0.00 C ATOM 608 CG ARG A 39 1.222 5.537 -5.048 1.00 0.00 C ATOM 609 CD ARG A 39 0.477 6.863 -4.859 1.00 0.00 C ATOM 610 NE ARG A 39 1.342 8.009 -5.197 1.00 0.00 N ATOM 611 CZ ARG A 39 2.096 8.699 -4.322 1.00 0.00 C ATOM 612 NH1 ARG A 39 2.048 8.438 -3.020 1.00 0.00 N ATOM 613 NH2 ARG A 39 2.888 9.650 -4.759 1.00 0.00 N ATOM 0 H ARG A 39 2.400 3.156 -4.894 1.00 0.00 H new ATOM 0 HA ARG A 39 2.600 3.831 -7.784 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.953 6.171 -6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.663 4.987 -7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.608 4.722 -4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.138 5.552 -4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.413 6.877 -5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.139 6.950 -3.826 1.00 0.00 H new ATOM 0 HE ARG A 39 1.371 8.302 -6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.432 7.704 -2.669 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.627 8.971 -2.371 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.929 9.862 -5.756 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.463 10.177 -4.102 1.00 0.00 H new ATOM 627 N ASP A 40 4.615 5.430 -7.288 1.00 0.00 N ATOM 628 CA ASP A 40 5.941 6.047 -7.079 1.00 0.00 C ATOM 629 C ASP A 40 5.746 7.423 -6.420 1.00 0.00 C ATOM 630 O ASP A 40 5.063 8.279 -6.965 1.00 0.00 O ATOM 631 CB ASP A 40 6.689 6.166 -8.434 1.00 0.00 C ATOM 632 CG ASP A 40 8.039 6.915 -8.353 1.00 0.00 C ATOM 633 OD1 ASP A 40 8.921 6.485 -7.587 1.00 0.00 O ATOM 634 OD2 ASP A 40 8.222 7.934 -9.065 1.00 0.00 O ATOM 0 H ASP A 40 4.182 5.679 -8.178 1.00 0.00 H new ATOM 0 HA ASP A 40 6.550 5.426 -6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.866 5.165 -8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.044 6.679 -9.147 1.00 0.00 H new ATOM 639 N SER A 41 6.315 7.613 -5.228 1.00 0.00 N ATOM 640 CA SER A 41 6.176 8.861 -4.473 1.00 0.00 C ATOM 641 C SER A 41 7.321 9.828 -4.813 1.00 0.00 C ATOM 642 O SER A 41 8.464 9.650 -4.347 1.00 0.00 O ATOM 643 CB SER A 41 6.145 8.544 -2.962 1.00 0.00 C ATOM 644 OG SER A 41 5.085 7.657 -2.651 1.00 0.00 O ATOM 0 H SER A 41 6.884 6.908 -4.759 1.00 0.00 H new ATOM 0 HA SER A 41 5.241 9.349 -4.749 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.094 8.102 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.029 9.468 -2.395 1.00 0.00 H new ATOM 0 HG SER A 41 4.500 7.560 -3.431 1.00 0.00 H new ATOM 650 N GLU A 42 7.018 10.814 -5.682 1.00 0.00 N ATOM 651 CA GLU A 42 7.849 12.013 -5.855 1.00 0.00 C ATOM 652 C GLU A 42 7.902 12.824 -4.544 1.00 0.00 C ATOM 653 O GLU A 42 6.997 13.610 -4.233 1.00 0.00 O ATOM 654 CB GLU A 42 7.320 12.868 -7.042 1.00 0.00 C ATOM 655 CG GLU A 42 8.178 14.104 -7.374 1.00 0.00 C ATOM 656 CD GLU A 42 7.694 14.843 -8.629 1.00 0.00 C ATOM 657 OE1 GLU A 42 6.790 15.699 -8.521 1.00 0.00 O ATOM 658 OE2 GLU A 42 8.209 14.562 -9.738 1.00 0.00 O ATOM 0 H GLU A 42 6.192 10.797 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 42 8.868 11.710 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.258 12.236 -7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.306 13.197 -6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.164 14.789 -6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.213 13.794 -7.517 1.00 0.00 H new ATOM 665 N SER A 43 8.959 12.562 -3.767 1.00 0.00 N ATOM 666 CA SER A 43 9.226 13.195 -2.466 1.00 0.00 C ATOM 667 C SER A 43 10.743 13.196 -2.260 1.00 0.00 C ATOM 668 O SER A 43 11.365 14.245 -2.054 1.00 0.00 O ATOM 669 CB SER A 43 8.504 12.422 -1.332 1.00 0.00 C ATOM 670 OG SER A 43 8.785 12.979 -0.057 1.00 0.00 O ATOM 0 H SER A 43 9.674 11.885 -4.032 1.00 0.00 H new ATOM 0 HA SER A 43 8.847 14.217 -2.446 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.428 12.439 -1.508 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.814 11.377 -1.349 1.00 0.00 H new ATOM 0 HG SER A 43 9.475 12.444 0.389 1.00 0.00 H new ATOM 676 N VAL A 44 11.317 11.987 -2.339 1.00 0.00 N ATOM 677 CA VAL A 44 12.765 11.752 -2.480 1.00 0.00 C ATOM 678 C VAL A 44 12.974 10.862 -3.710 1.00 0.00 C ATOM 679 O VAL A 44 12.089 10.052 -4.019 1.00 0.00 O ATOM 680 CB VAL A 44 13.417 11.074 -1.205 1.00 0.00 C ATOM 681 CG1 VAL A 44 13.406 12.040 0.002 1.00 0.00 C ATOM 682 CG2 VAL A 44 12.723 9.733 -0.867 1.00 0.00 C ATOM 0 H VAL A 44 10.776 11.123 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 44 13.259 12.717 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 44 14.458 10.851 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.859 11.550 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.973 12.937 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.378 12.314 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.192 9.292 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.667 9.911 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.820 9.050 -1.711 1.00 0.00 H new ATOM 692 N ALA A 45 14.146 11.061 -4.370 1.00 0.00 N ATOM 693 CA ALA A 45 14.623 10.357 -5.604 1.00 0.00 C ATOM 694 C ALA A 45 13.572 9.442 -6.297 1.00 0.00 C ATOM 695 O ALA A 45 12.938 9.848 -7.280 1.00 0.00 O ATOM 696 CB ALA A 45 15.921 9.590 -5.294 1.00 0.00 C ATOM 0 H ALA A 45 14.823 11.751 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 45 14.814 11.139 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 45 16.265 9.079 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 45 16.686 10.290 -4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.732 8.857 -4.510 1.00 0.00 H new ATOM 702 N GLY A 46 13.389 8.220 -5.751 1.00 0.00 N ATOM 703 CA GLY A 46 12.303 7.320 -6.139 1.00 0.00 C ATOM 704 C GLY A 46 11.855 6.439 -4.978 1.00 0.00 C ATOM 705 O GLY A 46 12.290 5.283 -4.865 1.00 0.00 O ATOM 0 H GLY A 46 13.997 7.837 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.457 7.905 -6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.630 6.691 -6.967 1.00 0.00 H new ATOM 709 N ALA A 47 11.029 7.003 -4.078 1.00 0.00 N ATOM 710 CA ALA A 47 10.366 6.231 -3.006 1.00 0.00 C ATOM 711 C ALA A 47 9.030 5.678 -3.525 1.00 0.00 C ATOM 712 O ALA A 47 8.581 6.073 -4.598 1.00 0.00 O ATOM 713 CB ALA A 47 10.148 7.123 -1.770 1.00 0.00 C ATOM 0 H ALA A 47 10.802 7.997 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 47 11.000 5.395 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.659 6.545 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.110 7.484 -1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.520 7.972 -2.040 1.00 0.00 H new ATOM 719 N PHE A 48 8.432 4.724 -2.799 1.00 0.00 N ATOM 720 CA PHE A 48 7.117 4.134 -3.160 1.00 0.00 C ATOM 721 C PHE A 48 6.065 4.423 -2.074 1.00 0.00 C ATOM 722 O PHE A 48 6.414 4.818 -0.972 1.00 0.00 O ATOM 723 CB PHE A 48 7.259 2.598 -3.346 1.00 0.00 C ATOM 724 CG PHE A 48 8.321 2.174 -4.358 1.00 0.00 C ATOM 725 CD1 PHE A 48 8.029 2.117 -5.720 1.00 0.00 C ATOM 726 CD2 PHE A 48 9.615 1.841 -3.943 1.00 0.00 C ATOM 727 CE1 PHE A 48 8.993 1.736 -6.635 1.00 0.00 C ATOM 728 CE2 PHE A 48 10.574 1.462 -4.857 1.00 0.00 C ATOM 729 CZ PHE A 48 10.265 1.411 -6.205 1.00 0.00 C ATOM 0 H PHE A 48 8.836 4.335 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 48 6.787 4.589 -4.094 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.496 2.149 -2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.296 2.193 -3.658 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.038 2.373 -6.064 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.865 1.882 -2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.751 1.692 -7.687 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.568 1.205 -4.521 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.018 1.117 -6.921 1.00 0.00 H new ATOM 739 N ALA A 49 4.777 4.248 -2.417 1.00 0.00 N ATOM 740 CA ALA A 49 3.659 4.237 -1.453 1.00 0.00 C ATOM 741 C ALA A 49 2.683 3.093 -1.782 1.00 0.00 C ATOM 742 O ALA A 49 2.492 2.757 -2.948 1.00 0.00 O ATOM 743 CB ALA A 49 2.932 5.593 -1.458 1.00 0.00 C ATOM 0 H ALA A 49 4.478 4.108 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 49 4.060 4.070 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.111 5.568 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.631 6.382 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.538 5.791 -2.455 1.00 0.00 H new ATOM 749 N LEU A 50 2.073 2.516 -0.736 1.00 0.00 N ATOM 750 CA LEU A 50 1.054 1.452 -0.840 1.00 0.00 C ATOM 751 C LEU A 50 -0.260 2.003 -0.267 1.00 0.00 C ATOM 752 O LEU A 50 -0.330 2.295 0.924 1.00 0.00 O ATOM 753 CB LEU A 50 1.491 0.180 -0.048 1.00 0.00 C ATOM 754 CG LEU A 50 0.402 -0.946 0.090 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.035 -1.590 -1.269 1.00 0.00 C ATOM 756 CD2 LEU A 50 0.814 -2.012 1.130 1.00 0.00 C ATOM 0 H LEU A 50 2.276 2.779 0.228 1.00 0.00 H new ATOM 0 HA LEU A 50 0.929 1.162 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.368 -0.246 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.800 0.485 0.952 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.501 -0.458 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.721 -2.360 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.358 -0.826 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.925 -2.038 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.037 -2.773 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.751 -2.476 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.945 -1.539 2.103 1.00 0.00 H new ATOM 768 N CYS A 51 -1.286 2.145 -1.119 1.00 0.00 N ATOM 769 CA CYS A 51 -2.616 2.646 -0.727 1.00 0.00 C ATOM 770 C CYS A 51 -3.563 1.445 -0.578 1.00 0.00 C ATOM 771 O CYS A 51 -3.814 0.758 -1.558 1.00 0.00 O ATOM 772 CB CYS A 51 -3.150 3.623 -1.811 1.00 0.00 C ATOM 773 SG CYS A 51 -2.057 5.014 -2.172 1.00 0.00 S ATOM 0 H CYS A 51 -1.217 1.914 -2.110 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.553 3.184 0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.323 3.065 -2.731 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.116 4.011 -1.488 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.766 6.038 -2.543 1.00 0.00 H new ATOM 779 N VAL A 52 -4.072 1.194 0.643 1.00 0.00 N ATOM 780 CA VAL A 52 -4.997 0.072 0.944 1.00 0.00 C ATOM 781 C VAL A 52 -6.317 0.668 1.462 1.00 0.00 C ATOM 782 O VAL A 52 -6.314 1.417 2.441 1.00 0.00 O ATOM 783 CB VAL A 52 -4.411 -0.928 2.029 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.358 -2.153 2.252 1.00 0.00 C ATOM 785 CG2 VAL A 52 -2.973 -1.389 1.663 1.00 0.00 C ATOM 0 H VAL A 52 -3.854 1.766 1.459 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.147 -0.502 0.030 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.352 -0.382 2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.925 -2.816 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.331 -1.803 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.479 -2.695 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.604 -2.072 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.988 -1.898 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.316 -0.521 1.605 1.00 0.00 H new ATOM 795 N LEU A 53 -7.441 0.329 0.815 1.00 0.00 N ATOM 796 CA LEU A 53 -8.776 0.861 1.146 1.00 0.00 C ATOM 797 C LEU A 53 -9.716 -0.275 1.546 1.00 0.00 C ATOM 798 O LEU A 53 -9.654 -1.375 0.996 1.00 0.00 O ATOM 799 CB LEU A 53 -9.357 1.640 -0.071 1.00 0.00 C ATOM 800 CG LEU A 53 -10.882 2.058 -0.034 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.285 2.893 1.194 1.00 0.00 C ATOM 802 CD2 LEU A 53 -11.261 2.812 -1.303 1.00 0.00 C ATOM 0 H LEU A 53 -7.452 -0.330 0.037 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.682 1.545 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.766 2.547 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.201 1.031 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.432 1.120 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.346 3.135 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.091 2.322 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.703 3.815 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.314 3.091 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.650 3.711 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.091 2.174 -2.170 1.00 0.00 H new ATOM 814 N TYR A 54 -10.596 0.045 2.493 1.00 0.00 N ATOM 815 CA TYR A 54 -11.692 -0.804 2.924 1.00 0.00 C ATOM 816 C TYR A 54 -12.766 0.132 3.497 1.00 0.00 C ATOM 817 O TYR A 54 -12.430 0.967 4.325 1.00 0.00 O ATOM 818 CB TYR A 54 -11.210 -1.827 3.988 1.00 0.00 C ATOM 819 CG TYR A 54 -12.159 -3.020 4.158 1.00 0.00 C ATOM 820 CD1 TYR A 54 -12.038 -4.145 3.345 1.00 0.00 C ATOM 821 CD2 TYR A 54 -13.169 -3.021 5.119 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.872 -5.229 3.488 1.00 0.00 C ATOM 823 CE2 TYR A 54 -14.014 -4.106 5.264 1.00 0.00 C ATOM 824 CZ TYR A 54 -13.859 -5.211 4.446 1.00 0.00 C ATOM 825 OH TYR A 54 -14.684 -6.312 4.594 1.00 0.00 O ATOM 0 H TYR A 54 -10.560 0.933 2.994 1.00 0.00 H new ATOM 0 HA TYR A 54 -12.091 -1.388 2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.223 -2.194 3.707 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -11.101 -1.319 4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.271 -4.166 2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.293 -2.161 5.760 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.752 -6.092 2.850 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.792 -4.091 6.013 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.328 -6.144 5.313 1.00 0.00 H new ATOM 835 N GLN A 55 -14.012 0.025 2.991 1.00 0.00 N ATOM 836 CA GLN A 55 -15.206 0.781 3.473 1.00 0.00 C ATOM 837 C GLN A 55 -14.928 2.241 3.938 1.00 0.00 C ATOM 838 O GLN A 55 -14.909 2.529 5.146 1.00 0.00 O ATOM 839 CB GLN A 55 -15.959 -0.034 4.568 1.00 0.00 C ATOM 840 CG GLN A 55 -16.546 -1.368 4.065 1.00 0.00 C ATOM 841 CD GLN A 55 -17.484 -1.192 2.866 1.00 0.00 C ATOM 842 OE1 GLN A 55 -17.056 -1.266 1.710 1.00 0.00 O ATOM 843 NE2 GLN A 55 -18.759 -0.923 3.126 1.00 0.00 N ATOM 0 H GLN A 55 -14.230 -0.602 2.217 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.845 0.899 2.598 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -15.273 -0.238 5.390 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -16.767 0.578 4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.731 -2.036 3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -17.090 -1.849 4.878 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -19.082 -0.869 4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -19.415 -0.771 2.360 1.00 0.00 H new ATOM 852 N LYS A 56 -14.690 3.125 2.953 1.00 0.00 N ATOM 853 CA LYS A 56 -14.450 4.577 3.149 1.00 0.00 C ATOM 854 C LYS A 56 -13.325 4.896 4.192 1.00 0.00 C ATOM 855 O LYS A 56 -13.396 5.877 4.938 1.00 0.00 O ATOM 856 CB LYS A 56 -15.792 5.314 3.478 1.00 0.00 C ATOM 857 CG LYS A 56 -15.743 6.850 3.272 1.00 0.00 C ATOM 858 CD LYS A 56 -17.081 7.557 3.574 1.00 0.00 C ATOM 859 CE LYS A 56 -16.998 9.077 3.331 1.00 0.00 C ATOM 860 NZ LYS A 56 -18.282 9.762 3.611 1.00 0.00 N ATOM 0 H LYS A 56 -14.657 2.849 1.972 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.068 4.963 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.583 4.900 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.063 5.106 4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.967 7.269 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.455 7.061 2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -17.865 7.132 2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.364 7.370 4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.217 9.501 3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.708 9.262 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -18.178 10.781 3.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.023 9.377 2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -18.548 9.609 4.605 1.00 0.00 H new ATOM 874 N HIS A 57 -12.275 4.056 4.225 1.00 0.00 N ATOM 875 CA HIS A 57 -11.017 4.396 4.928 1.00 0.00 C ATOM 876 C HIS A 57 -9.804 3.851 4.155 1.00 0.00 C ATOM 877 O HIS A 57 -9.553 2.637 4.138 1.00 0.00 O ATOM 878 CB HIS A 57 -11.029 3.983 6.436 1.00 0.00 C ATOM 879 CG HIS A 57 -11.439 2.568 6.763 1.00 0.00 C ATOM 880 ND1 HIS A 57 -12.736 2.222 7.082 1.00 0.00 N ATOM 881 CD2 HIS A 57 -10.714 1.428 6.878 1.00 0.00 C ATOM 882 CE1 HIS A 57 -12.789 0.939 7.380 1.00 0.00 C ATOM 883 NE2 HIS A 57 -11.578 0.434 7.262 1.00 0.00 N ATOM 0 H HIS A 57 -12.269 3.140 3.776 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.929 5.482 4.945 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -10.029 4.146 6.838 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.700 4.659 6.966 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.654 1.322 6.700 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.675 0.394 7.671 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -11.324 -0.540 7.429 1.00 0.00 H new ATOM 892 N VAL A 58 -9.091 4.773 3.463 1.00 0.00 N ATOM 893 CA VAL A 58 -7.817 4.485 2.783 1.00 0.00 C ATOM 894 C VAL A 58 -6.676 4.812 3.746 1.00 0.00 C ATOM 895 O VAL A 58 -6.656 5.902 4.323 1.00 0.00 O ATOM 896 CB VAL A 58 -7.583 5.348 1.469 1.00 0.00 C ATOM 897 CG1 VAL A 58 -6.335 4.844 0.682 1.00 0.00 C ATOM 898 CG2 VAL A 58 -8.831 5.392 0.559 1.00 0.00 C ATOM 0 H VAL A 58 -9.391 5.743 3.364 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.848 3.435 2.491 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.394 6.371 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.199 5.452 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.450 4.924 1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.483 3.803 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.617 5.994 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.094 4.380 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.664 5.833 1.106 1.00 0.00 H new ATOM 908 N HIS A 59 -5.749 3.882 3.931 1.00 0.00 N ATOM 909 CA HIS A 59 -4.485 4.149 4.618 1.00 0.00 C ATOM 910 C HIS A 59 -3.352 3.894 3.620 1.00 0.00 C ATOM 911 O HIS A 59 -3.340 2.863 2.949 1.00 0.00 O ATOM 912 CB HIS A 59 -4.338 3.266 5.885 1.00 0.00 C ATOM 913 CG HIS A 59 -3.310 3.762 6.883 1.00 0.00 C ATOM 914 ND1 HIS A 59 -2.942 3.049 7.997 1.00 0.00 N ATOM 915 CD2 HIS A 59 -2.605 4.919 6.942 1.00 0.00 C ATOM 916 CE1 HIS A 59 -2.064 3.741 8.697 1.00 0.00 C ATOM 917 NE2 HIS A 59 -1.843 4.878 8.076 1.00 0.00 N ATOM 0 H HIS A 59 -5.849 2.919 3.610 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.452 5.183 4.961 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.306 3.202 6.382 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -4.069 2.255 5.578 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.639 5.725 6.224 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.605 3.427 9.623 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.206 5.611 8.389 1.00 0.00 H new ATOM 926 N THR A 60 -2.402 4.828 3.557 1.00 0.00 N ATOM 927 CA THR A 60 -1.306 4.807 2.589 1.00 0.00 C ATOM 928 C THR A 60 0.018 4.784 3.367 1.00 0.00 C ATOM 929 O THR A 60 0.144 5.422 4.422 1.00 0.00 O ATOM 930 CB THR A 60 -1.378 6.031 1.614 1.00 0.00 C ATOM 931 OG1 THR A 60 -2.664 6.039 0.965 1.00 0.00 O ATOM 932 CG2 THR A 60 -0.267 5.995 0.535 1.00 0.00 C ATOM 0 H THR A 60 -2.372 5.631 4.186 1.00 0.00 H new ATOM 0 HA THR A 60 -1.382 3.916 1.966 1.00 0.00 H new ATOM 0 HB THR A 60 -1.232 6.934 2.207 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.565 5.734 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.362 6.865 -0.114 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.710 6.008 1.018 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.366 5.086 -0.059 1.00 0.00 H new ATOM 940 N TYR A 61 0.986 4.022 2.841 1.00 0.00 N ATOM 941 CA TYR A 61 2.244 3.705 3.525 1.00 0.00 C ATOM 942 C TYR A 61 3.383 4.036 2.573 1.00 0.00 C ATOM 943 O TYR A 61 3.664 3.263 1.656 1.00 0.00 O ATOM 944 CB TYR A 61 2.278 2.196 3.922 1.00 0.00 C ATOM 945 CG TYR A 61 1.047 1.730 4.715 1.00 0.00 C ATOM 946 CD1 TYR A 61 -0.091 1.251 4.054 1.00 0.00 C ATOM 947 CD2 TYR A 61 1.016 1.787 6.110 1.00 0.00 C ATOM 948 CE1 TYR A 61 -1.205 0.855 4.755 1.00 0.00 C ATOM 949 CE2 TYR A 61 -0.099 1.386 6.812 1.00 0.00 C ATOM 950 CZ TYR A 61 -1.202 0.921 6.133 1.00 0.00 C ATOM 951 OH TYR A 61 -2.317 0.516 6.835 1.00 0.00 O ATOM 0 H TYR A 61 0.915 3.603 1.914 1.00 0.00 H new ATOM 0 HA TYR A 61 2.339 4.288 4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.363 1.595 3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.173 2.007 4.516 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.093 1.192 2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.880 2.151 6.647 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.077 0.494 4.230 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.108 1.436 7.891 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.692 1.279 7.322 1.00 0.00 H new ATOM 961 N ARG A 62 4.012 5.209 2.767 1.00 0.00 N ATOM 962 CA ARG A 62 5.130 5.639 1.921 1.00 0.00 C ATOM 963 C ARG A 62 6.387 4.876 2.341 1.00 0.00 C ATOM 964 O ARG A 62 6.970 5.141 3.403 1.00 0.00 O ATOM 965 CB ARG A 62 5.378 7.171 1.978 1.00 0.00 C ATOM 966 CG ARG A 62 6.434 7.663 0.957 1.00 0.00 C ATOM 967 CD ARG A 62 6.759 9.155 1.095 1.00 0.00 C ATOM 968 NE ARG A 62 7.382 9.466 2.393 1.00 0.00 N ATOM 969 CZ ARG A 62 7.730 10.692 2.806 1.00 0.00 C ATOM 970 NH1 ARG A 62 7.481 11.762 2.057 1.00 0.00 N ATOM 971 NH2 ARG A 62 8.317 10.835 3.981 1.00 0.00 N ATOM 0 H ARG A 62 3.763 5.872 3.501 1.00 0.00 H new ATOM 0 HA ARG A 62 4.874 5.413 0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.437 7.691 1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.702 7.442 2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.349 7.085 1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.072 7.469 -0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.429 9.456 0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.844 9.737 0.983 1.00 0.00 H new ATOM 0 HE ARG A 62 7.562 8.687 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.019 11.656 1.154 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.752 12.689 2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.500 10.017 4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.587 11.763 4.307 1.00 0.00 H new ATOM 985 N ILE A 63 6.746 3.882 1.529 1.00 0.00 N ATOM 986 CA ILE A 63 7.996 3.157 1.670 1.00 0.00 C ATOM 987 C ILE A 63 9.166 4.096 1.337 1.00 0.00 C ATOM 988 O ILE A 63 9.377 4.463 0.173 1.00 0.00 O ATOM 989 CB ILE A 63 8.035 1.901 0.709 1.00 0.00 C ATOM 990 CG1 ILE A 63 6.736 1.025 0.815 1.00 0.00 C ATOM 991 CG2 ILE A 63 9.289 1.045 0.994 1.00 0.00 C ATOM 992 CD1 ILE A 63 5.608 1.352 -0.152 1.00 0.00 C ATOM 0 H ILE A 63 6.170 3.560 0.752 1.00 0.00 H new ATOM 0 HA ILE A 63 8.080 2.804 2.698 1.00 0.00 H new ATOM 0 HB ILE A 63 8.083 2.279 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.017 -0.018 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.349 1.112 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.302 0.185 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.184 1.645 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.267 0.700 2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.771 0.677 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.283 2.381 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.961 1.233 -1.176 1.00 0.00 H new ATOM 1004 N LEU A 64 9.905 4.482 2.386 1.00 0.00 N ATOM 1005 CA LEU A 64 10.986 5.466 2.297 1.00 0.00 C ATOM 1006 C LEU A 64 12.320 4.723 2.501 1.00 0.00 C ATOM 1007 O LEU A 64 12.581 4.233 3.611 1.00 0.00 O ATOM 1008 CB LEU A 64 10.805 6.581 3.368 1.00 0.00 C ATOM 1009 CG LEU A 64 11.535 7.929 3.059 1.00 0.00 C ATOM 1010 CD1 LEU A 64 10.814 8.699 1.928 1.00 0.00 C ATOM 1011 CD2 LEU A 64 11.693 8.798 4.326 1.00 0.00 C ATOM 0 H LEU A 64 9.766 4.115 3.328 1.00 0.00 H new ATOM 0 HA LEU A 64 10.973 5.951 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.740 6.782 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.164 6.204 4.326 1.00 0.00 H new ATOM 0 HG LEU A 64 12.540 7.689 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.340 9.633 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.803 8.091 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.790 8.916 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.205 9.726 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.709 9.027 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.277 8.255 5.069 1.00 0.00 H new ATOM 1023 N PRO A 65 13.158 4.561 1.425 1.00 0.00 N ATOM 1024 CA PRO A 65 14.467 3.887 1.532 1.00 0.00 C ATOM 1025 C PRO A 65 15.499 4.722 2.334 1.00 0.00 C ATOM 1026 O PRO A 65 16.096 4.218 3.300 1.00 0.00 O ATOM 1027 CB PRO A 65 14.888 3.666 0.044 1.00 0.00 C ATOM 1028 CG PRO A 65 13.656 3.946 -0.772 1.00 0.00 C ATOM 1029 CD PRO A 65 12.880 4.968 0.021 1.00 0.00 C ATOM 0 HA PRO A 65 14.414 2.951 2.089 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.703 4.333 -0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 65 15.241 2.647 -0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.916 4.328 -1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.071 3.039 -0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.220 5.984 -0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.815 4.936 -0.208 1.00 0.00 H new ATOM 1037 N ASP A 66 15.738 5.961 1.851 1.00 0.00 N ATOM 1038 CA ASP A 66 16.552 7.003 2.538 1.00 0.00 C ATOM 1039 C ASP A 66 18.051 6.725 2.296 1.00 0.00 C ATOM 1040 O ASP A 66 18.701 7.473 1.560 1.00 0.00 O ATOM 1041 CB ASP A 66 16.214 7.173 4.057 1.00 0.00 C ATOM 1042 CG ASP A 66 17.165 8.153 4.783 1.00 0.00 C ATOM 1043 OD1 ASP A 66 17.020 9.378 4.597 1.00 0.00 O ATOM 1044 OD2 ASP A 66 18.058 7.703 5.543 1.00 0.00 O ATOM 0 H ASP A 66 15.366 6.277 0.955 1.00 0.00 H new ATOM 0 HA ASP A 66 16.291 7.965 2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.189 7.529 4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.263 6.200 4.545 1.00 0.00 H new ATOM 1049 N GLY A 67 18.589 5.648 2.913 1.00 0.00 N ATOM 1050 CA GLY A 67 19.926 5.133 2.582 1.00 0.00 C ATOM 1051 C GLY A 67 19.941 4.504 1.186 1.00 0.00 C ATOM 1052 O GLY A 67 20.939 4.594 0.459 1.00 0.00 O ATOM 0 H GLY A 67 18.111 5.121 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.653 5.943 2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.228 4.392 3.322 1.00 0.00 H new ATOM 1056 N GLU A 68 18.821 3.804 0.869 1.00 0.00 N ATOM 1057 CA GLU A 68 18.433 3.381 -0.500 1.00 0.00 C ATOM 1058 C GLU A 68 19.096 2.067 -0.941 1.00 0.00 C ATOM 1059 O GLU A 68 19.220 1.800 -2.142 1.00 0.00 O ATOM 1060 CB GLU A 68 18.630 4.514 -1.556 1.00 0.00 C ATOM 1061 CG GLU A 68 17.742 5.748 -1.334 1.00 0.00 C ATOM 1062 CD GLU A 68 17.901 6.819 -2.422 1.00 0.00 C ATOM 1063 OE1 GLU A 68 18.864 7.604 -2.349 1.00 0.00 O ATOM 1064 OE2 GLU A 68 17.065 6.876 -3.350 1.00 0.00 O ATOM 0 H GLU A 68 18.147 3.512 1.577 1.00 0.00 H new ATOM 0 HA GLU A 68 17.363 3.178 -0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.674 4.826 -1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.428 4.109 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.699 5.433 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.979 6.187 -0.365 1.00 0.00 H new ATOM 1071 N ASP A 69 19.486 1.226 0.030 1.00 0.00 N ATOM 1072 CA ASP A 69 19.827 -0.197 -0.227 1.00 0.00 C ATOM 1073 C ASP A 69 18.657 -1.076 0.254 1.00 0.00 C ATOM 1074 O ASP A 69 18.335 -2.095 -0.357 1.00 0.00 O ATOM 1075 CB ASP A 69 21.150 -0.603 0.483 1.00 0.00 C ATOM 1076 CG ASP A 69 21.591 -2.053 0.176 1.00 0.00 C ATOM 1077 OD1 ASP A 69 21.781 -2.377 -1.014 1.00 0.00 O ATOM 1078 OD2 ASP A 69 21.756 -2.864 1.115 1.00 0.00 O ATOM 0 H ASP A 69 19.576 1.502 1.008 1.00 0.00 H new ATOM 0 HA ASP A 69 19.984 -0.340 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 69 21.942 0.082 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 69 21.026 -0.489 1.560 1.00 0.00 H new ATOM 1083 N PHE A 70 18.046 -0.668 1.377 1.00 0.00 N ATOM 1084 CA PHE A 70 16.794 -1.247 1.893 1.00 0.00 C ATOM 1085 C PHE A 70 15.698 -0.172 1.885 1.00 0.00 C ATOM 1086 O PHE A 70 15.930 0.967 2.306 1.00 0.00 O ATOM 1087 CB PHE A 70 16.993 -1.783 3.339 1.00 0.00 C ATOM 1088 CG PHE A 70 17.990 -2.938 3.450 1.00 0.00 C ATOM 1089 CD1 PHE A 70 17.599 -4.247 3.172 1.00 0.00 C ATOM 1090 CD2 PHE A 70 19.316 -2.715 3.822 1.00 0.00 C ATOM 1091 CE1 PHE A 70 18.500 -5.291 3.263 1.00 0.00 C ATOM 1092 CE2 PHE A 70 20.213 -3.764 3.913 1.00 0.00 C ATOM 1093 CZ PHE A 70 19.802 -5.049 3.630 1.00 0.00 C ATOM 0 H PHE A 70 18.412 0.084 1.961 1.00 0.00 H new ATOM 0 HA PHE A 70 16.500 -2.080 1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 70 17.331 -0.964 3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 70 16.029 -2.112 3.728 1.00 0.00 H new ATOM 0 HD1 PHE A 70 16.578 -4.448 2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 70 19.646 -1.711 4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 70 18.180 -6.299 3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 70 21.235 -3.576 4.206 1.00 0.00 H new ATOM 0 HZ PHE A 70 20.504 -5.867 3.697 1.00 0.00 H new ATOM 1103 N LEU A 71 14.511 -0.547 1.407 1.00 0.00 N ATOM 1104 CA LEU A 71 13.317 0.313 1.404 1.00 0.00 C ATOM 1105 C LEU A 71 12.342 -0.174 2.504 1.00 0.00 C ATOM 1106 O LEU A 71 11.779 -1.270 2.410 1.00 0.00 O ATOM 1107 CB LEU A 71 12.644 0.342 -0.010 1.00 0.00 C ATOM 1108 CG LEU A 71 12.331 -1.041 -0.711 1.00 0.00 C ATOM 1109 CD1 LEU A 71 11.158 -0.930 -1.717 1.00 0.00 C ATOM 1110 CD2 LEU A 71 13.585 -1.608 -1.415 1.00 0.00 C ATOM 0 H LEU A 71 14.345 -1.469 1.004 1.00 0.00 H new ATOM 0 HA LEU A 71 13.606 1.340 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.707 0.892 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.289 0.915 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 71 12.031 -1.731 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.978 -1.903 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.259 -0.603 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.410 -0.206 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.338 -2.559 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.926 -0.904 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 71 14.376 -1.762 -0.681 1.00 0.00 H new ATOM 1122 N ALA A 72 12.165 0.651 3.561 1.00 0.00 N ATOM 1123 CA ALA A 72 11.330 0.296 4.724 1.00 0.00 C ATOM 1124 C ALA A 72 9.944 0.931 4.617 1.00 0.00 C ATOM 1125 O ALA A 72 9.818 2.121 4.317 1.00 0.00 O ATOM 1126 CB ALA A 72 12.014 0.715 6.036 1.00 0.00 C ATOM 0 H ALA A 72 12.595 1.574 3.629 1.00 0.00 H new ATOM 0 HA ALA A 72 11.209 -0.787 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.380 0.443 6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.974 0.206 6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.174 1.793 6.035 1.00 0.00 H new ATOM 1132 N VAL A 73 8.920 0.107 4.854 1.00 0.00 N ATOM 1133 CA VAL A 73 7.514 0.534 4.868 1.00 0.00 C ATOM 1134 C VAL A 73 7.153 1.027 6.270 1.00 0.00 C ATOM 1135 O VAL A 73 7.184 0.239 7.225 1.00 0.00 O ATOM 1136 CB VAL A 73 6.543 -0.640 4.480 1.00 0.00 C ATOM 1137 CG1 VAL A 73 5.099 -0.139 4.199 1.00 0.00 C ATOM 1138 CG2 VAL A 73 7.099 -1.470 3.310 1.00 0.00 C ATOM 0 H VAL A 73 9.043 -0.888 5.044 1.00 0.00 H new ATOM 0 HA VAL A 73 7.399 1.330 4.133 1.00 0.00 H new ATOM 0 HB VAL A 73 6.481 -1.300 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.465 -0.986 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.703 0.347 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.115 0.573 3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.402 -2.272 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.229 -0.829 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.061 -1.898 3.592 1.00 0.00 H new ATOM 1148 N GLN A 74 6.776 2.310 6.383 1.00 0.00 N ATOM 1149 CA GLN A 74 6.401 2.920 7.668 1.00 0.00 C ATOM 1150 C GLN A 74 4.945 2.536 7.958 1.00 0.00 C ATOM 1151 O GLN A 74 4.012 3.195 7.479 1.00 0.00 O ATOM 1152 CB GLN A 74 6.588 4.467 7.633 1.00 0.00 C ATOM 1153 CG GLN A 74 8.044 4.972 7.730 1.00 0.00 C ATOM 1154 CD GLN A 74 9.014 4.345 6.715 1.00 0.00 C ATOM 1155 OE1 GLN A 74 9.141 4.823 5.589 1.00 0.00 O ATOM 1156 NE2 GLN A 74 9.724 3.291 7.119 1.00 0.00 N ATOM 0 H GLN A 74 6.723 2.951 5.591 1.00 0.00 H new ATOM 0 HA GLN A 74 7.048 2.551 8.464 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.153 4.845 6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.018 4.901 8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.048 6.054 7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.416 4.775 8.736 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.594 2.919 8.060 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.397 2.857 6.487 1.00 0.00 H new ATOM 1165 N THR A 75 4.779 1.425 8.684 1.00 0.00 N ATOM 1166 CA THR A 75 3.468 0.845 8.988 1.00 0.00 C ATOM 1167 C THR A 75 2.731 1.729 10.023 1.00 0.00 C ATOM 1168 O THR A 75 1.528 1.979 9.882 1.00 0.00 O ATOM 1169 CB THR A 75 3.642 -0.620 9.517 1.00 0.00 C ATOM 1170 OG1 THR A 75 4.641 -1.300 8.734 1.00 0.00 O ATOM 1171 CG2 THR A 75 2.326 -1.423 9.464 1.00 0.00 C ATOM 0 H THR A 75 5.558 0.899 9.080 1.00 0.00 H new ATOM 0 HA THR A 75 2.866 0.808 8.080 1.00 0.00 H new ATOM 0 HB THR A 75 3.950 -0.554 10.560 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.750 -2.215 9.067 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.499 -2.431 9.841 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.574 -0.930 10.080 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.974 -1.477 8.434 1.00 0.00 H new ATOM 1179 N SER A 76 3.505 2.176 11.046 1.00 0.00 N ATOM 1180 CA SER A 76 3.104 3.201 12.044 1.00 0.00 C ATOM 1181 C SER A 76 4.199 3.312 13.115 1.00 0.00 C ATOM 1182 O SER A 76 4.793 2.298 13.508 1.00 0.00 O ATOM 1183 CB SER A 76 1.755 2.863 12.744 1.00 0.00 C ATOM 1184 OG SER A 76 1.379 3.847 13.705 1.00 0.00 O ATOM 0 H SER A 76 4.449 1.824 11.203 1.00 0.00 H new ATOM 0 HA SER A 76 2.973 4.141 11.509 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.971 2.775 11.992 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.836 1.893 13.234 1.00 0.00 H new ATOM 0 HG SER A 76 0.526 3.593 14.116 1.00 0.00 H new ATOM 1190 N GLN A 77 4.465 4.550 13.580 1.00 0.00 N ATOM 1191 CA GLN A 77 5.308 4.796 14.768 1.00 0.00 C ATOM 1192 C GLN A 77 4.476 4.425 16.010 1.00 0.00 C ATOM 1193 O GLN A 77 3.770 5.267 16.581 1.00 0.00 O ATOM 1194 CB GLN A 77 5.784 6.282 14.815 1.00 0.00 C ATOM 1195 CG GLN A 77 6.701 6.649 16.006 1.00 0.00 C ATOM 1196 CD GLN A 77 8.025 5.873 16.042 1.00 0.00 C ATOM 1197 OE1 GLN A 77 9.022 6.291 15.455 1.00 0.00 O ATOM 1198 NE2 GLN A 77 8.046 4.738 16.730 1.00 0.00 N ATOM 0 H GLN A 77 4.105 5.400 13.147 1.00 0.00 H new ATOM 0 HA GLN A 77 6.211 4.186 14.732 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.313 6.505 13.889 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.905 6.926 14.843 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.919 7.716 15.967 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.161 6.468 16.935 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.204 4.415 17.207 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.904 4.189 16.782 1.00 0.00 H new ATOM 1207 N GLY A 78 4.521 3.143 16.383 1.00 0.00 N ATOM 1208 CA GLY A 78 3.612 2.567 17.363 1.00 0.00 C ATOM 1209 C GLY A 78 3.550 1.053 17.203 1.00 0.00 C ATOM 1210 O GLY A 78 3.203 0.335 18.139 1.00 0.00 O ATOM 0 H GLY A 78 5.195 2.476 16.008 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.945 2.820 18.370 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.616 2.993 17.240 1.00 0.00 H new ATOM 1214 N VAL A 79 3.898 0.572 15.987 1.00 0.00 N ATOM 1215 CA VAL A 79 3.991 -0.872 15.661 1.00 0.00 C ATOM 1216 C VAL A 79 5.378 -1.159 15.013 1.00 0.00 C ATOM 1217 O VAL A 79 6.028 -0.217 14.521 1.00 0.00 O ATOM 1218 CB VAL A 79 2.819 -1.333 14.695 1.00 0.00 C ATOM 1219 CG1 VAL A 79 1.428 -1.080 15.342 1.00 0.00 C ATOM 1220 CG2 VAL A 79 2.925 -0.671 13.293 1.00 0.00 C ATOM 0 H VAL A 79 4.124 1.178 15.199 1.00 0.00 H new ATOM 0 HA VAL A 79 3.889 -1.444 16.583 1.00 0.00 H new ATOM 0 HB VAL A 79 2.927 -2.407 14.545 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.644 -1.405 14.658 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.353 -1.641 16.274 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.311 -0.016 15.549 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.103 -1.015 12.665 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.873 0.413 13.397 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.874 -0.946 12.832 1.00 0.00 H new ATOM 1230 N PRO A 80 5.878 -2.443 15.048 1.00 0.00 N ATOM 1231 CA PRO A 80 7.109 -2.862 14.317 1.00 0.00 C ATOM 1232 C PRO A 80 7.080 -2.501 12.808 1.00 0.00 C ATOM 1233 O PRO A 80 6.131 -2.847 12.088 1.00 0.00 O ATOM 1234 CB PRO A 80 7.139 -4.400 14.527 1.00 0.00 C ATOM 1235 CG PRO A 80 6.430 -4.602 15.828 1.00 0.00 C ATOM 1236 CD PRO A 80 5.318 -3.574 15.839 1.00 0.00 C ATOM 0 HA PRO A 80 7.995 -2.349 14.690 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.637 -4.924 13.713 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.161 -4.777 14.567 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.032 -5.614 15.906 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.106 -4.460 16.671 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.406 -3.965 15.388 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.066 -3.267 16.854 1.00 0.00 H new ATOM 1244 N VAL A 81 8.136 -1.800 12.362 1.00 0.00 N ATOM 1245 CA VAL A 81 8.325 -1.340 10.974 1.00 0.00 C ATOM 1246 C VAL A 81 9.315 -2.281 10.280 1.00 0.00 C ATOM 1247 O VAL A 81 10.358 -2.611 10.851 1.00 0.00 O ATOM 1248 CB VAL A 81 8.857 0.147 10.951 1.00 0.00 C ATOM 1249 CG1 VAL A 81 9.320 0.577 9.535 1.00 0.00 C ATOM 1250 CG2 VAL A 81 7.763 1.105 11.494 1.00 0.00 C ATOM 0 H VAL A 81 8.905 -1.529 12.975 1.00 0.00 H new ATOM 0 HA VAL A 81 7.372 -1.357 10.446 1.00 0.00 H new ATOM 0 HB VAL A 81 9.733 0.202 11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.678 1.606 9.566 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.125 -0.077 9.201 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.483 0.505 8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.135 2.129 11.476 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.872 1.031 10.870 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.512 0.828 12.518 1.00 0.00 H new ATOM 1260 N ARG A 82 8.991 -2.695 9.044 1.00 0.00 N ATOM 1261 CA ARG A 82 9.755 -3.714 8.306 1.00 0.00 C ATOM 1262 C ARG A 82 10.476 -3.094 7.108 1.00 0.00 C ATOM 1263 O ARG A 82 9.894 -2.277 6.381 1.00 0.00 O ATOM 1264 CB ARG A 82 8.798 -4.823 7.813 1.00 0.00 C ATOM 1265 CG ARG A 82 7.984 -5.478 8.937 1.00 0.00 C ATOM 1266 CD ARG A 82 6.977 -6.507 8.427 1.00 0.00 C ATOM 1267 NE ARG A 82 6.122 -6.999 9.528 1.00 0.00 N ATOM 1268 CZ ARG A 82 6.343 -8.103 10.254 1.00 0.00 C ATOM 1269 NH1 ARG A 82 7.325 -8.942 9.942 1.00 0.00 N ATOM 1270 NH2 ARG A 82 5.564 -8.372 11.291 1.00 0.00 N ATOM 0 H ARG A 82 8.190 -2.332 8.527 1.00 0.00 H new ATOM 0 HA ARG A 82 10.501 -4.139 8.978 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.112 -4.400 7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.378 -5.591 7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.666 -5.962 9.637 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.454 -4.704 9.492 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.356 -6.060 7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.506 -7.344 7.970 1.00 0.00 H new ATOM 0 HE ARG A 82 5.292 -6.451 9.754 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.924 -8.750 9.139 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.480 -9.778 10.505 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.801 -7.740 11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.727 -9.211 11.847 1.00 0.00 H new ATOM 1284 N ARG A 83 11.732 -3.508 6.903 1.00 0.00 N ATOM 1285 CA ARG A 83 12.535 -3.137 5.726 1.00 0.00 C ATOM 1286 C ARG A 83 12.435 -4.255 4.687 1.00 0.00 C ATOM 1287 O ARG A 83 12.268 -5.428 5.036 1.00 0.00 O ATOM 1288 CB ARG A 83 14.025 -2.894 6.105 1.00 0.00 C ATOM 1289 CG ARG A 83 14.722 -4.096 6.798 1.00 0.00 C ATOM 1290 CD ARG A 83 16.255 -3.945 6.866 1.00 0.00 C ATOM 1291 NE ARG A 83 16.896 -5.023 7.646 1.00 0.00 N ATOM 1292 CZ ARG A 83 17.262 -6.230 7.177 1.00 0.00 C ATOM 1293 NH1 ARG A 83 17.010 -6.588 5.920 1.00 0.00 N ATOM 1294 NH2 ARG A 83 17.878 -7.084 7.978 1.00 0.00 N ATOM 0 H ARG A 83 12.227 -4.117 7.555 1.00 0.00 H new ATOM 0 HA ARG A 83 12.145 -2.205 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.579 -2.642 5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.081 -2.029 6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.328 -4.204 7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.476 -5.011 6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.662 -3.942 5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.502 -2.982 7.312 1.00 0.00 H new ATOM 0 HE ARG A 83 17.078 -4.835 8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.531 -5.942 5.292 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.296 -7.508 5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.073 -6.826 8.945 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.158 -8.000 7.628 1.00 0.00 H new ATOM 1308 N PHE A 84 12.548 -3.887 3.410 1.00 0.00 N ATOM 1309 CA PHE A 84 12.449 -4.827 2.282 1.00 0.00 C ATOM 1310 C PHE A 84 13.512 -4.483 1.238 1.00 0.00 C ATOM 1311 O PHE A 84 14.132 -3.418 1.297 1.00 0.00 O ATOM 1312 CB PHE A 84 11.020 -4.811 1.670 1.00 0.00 C ATOM 1313 CG PHE A 84 9.929 -5.267 2.645 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.841 -6.600 3.031 1.00 0.00 C ATOM 1315 CD2 PHE A 84 9.008 -4.376 3.177 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.872 -7.027 3.913 1.00 0.00 C ATOM 1317 CE2 PHE A 84 8.035 -4.803 4.062 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.966 -6.128 4.426 1.00 0.00 C ATOM 0 H PHE A 84 12.712 -2.922 3.123 1.00 0.00 H new ATOM 0 HA PHE A 84 12.631 -5.840 2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.791 -3.801 1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 84 11.003 -5.456 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 84 10.546 -7.315 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.052 -3.334 2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.824 -8.067 4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.328 -4.095 4.468 1.00 0.00 H new ATOM 0 HZ PHE A 84 7.202 -6.462 5.113 1.00 0.00 H new ATOM 1328 N GLN A 85 13.763 -5.418 0.320 1.00 0.00 N ATOM 1329 CA GLN A 85 14.678 -5.206 -0.822 1.00 0.00 C ATOM 1330 C GLN A 85 13.887 -5.176 -2.133 1.00 0.00 C ATOM 1331 O GLN A 85 14.411 -4.753 -3.164 1.00 0.00 O ATOM 1332 CB GLN A 85 15.766 -6.314 -0.879 1.00 0.00 C ATOM 1333 CG GLN A 85 16.628 -6.417 0.386 1.00 0.00 C ATOM 1334 CD GLN A 85 17.800 -7.390 0.250 1.00 0.00 C ATOM 1335 OE1 GLN A 85 17.667 -8.586 0.513 1.00 0.00 O ATOM 1336 NE2 GLN A 85 18.959 -6.883 -0.152 1.00 0.00 N ATOM 0 H GLN A 85 13.342 -6.347 0.340 1.00 0.00 H new ATOM 0 HA GLN A 85 15.177 -4.247 -0.684 1.00 0.00 H new ATOM 0 HB2 GLN A 85 15.281 -7.275 -1.054 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.416 -6.125 -1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.014 -5.428 0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.000 -6.732 1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.035 -5.888 -0.362 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.774 -7.489 -0.251 1.00 0.00 H new ATOM 1345 N THR A 86 12.618 -5.610 -2.078 1.00 0.00 N ATOM 1346 CA THR A 86 11.757 -5.749 -3.259 1.00 0.00 C ATOM 1347 C THR A 86 10.294 -5.490 -2.853 1.00 0.00 C ATOM 1348 O THR A 86 9.894 -5.783 -1.717 1.00 0.00 O ATOM 1349 CB THR A 86 11.925 -7.184 -3.891 1.00 0.00 C ATOM 1350 OG1 THR A 86 13.310 -7.414 -4.196 1.00 0.00 O ATOM 1351 CG2 THR A 86 11.103 -7.396 -5.172 1.00 0.00 C ATOM 0 H THR A 86 12.159 -5.876 -1.206 1.00 0.00 H new ATOM 0 HA THR A 86 12.047 -5.018 -4.013 1.00 0.00 H new ATOM 0 HB THR A 86 11.553 -7.889 -3.148 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.415 -8.306 -4.587 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.270 -8.405 -5.548 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.044 -7.261 -4.951 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.411 -6.672 -5.926 1.00 0.00 H new ATOM 1359 N LEU A 87 9.519 -4.915 -3.784 1.00 0.00 N ATOM 1360 CA LEU A 87 8.081 -4.647 -3.585 1.00 0.00 C ATOM 1361 C LEU A 87 7.284 -5.964 -3.422 1.00 0.00 C ATOM 1362 O LEU A 87 6.254 -5.982 -2.763 1.00 0.00 O ATOM 1363 CB LEU A 87 7.517 -3.806 -4.758 1.00 0.00 C ATOM 1364 CG LEU A 87 8.085 -2.361 -4.904 1.00 0.00 C ATOM 1365 CD1 LEU A 87 7.518 -1.676 -6.167 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.815 -1.524 -3.626 1.00 0.00 C ATOM 0 H LEU A 87 9.868 -4.622 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 87 7.969 -4.074 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.706 -4.344 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.435 -3.739 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 87 9.166 -2.428 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.927 -0.669 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.794 -2.253 -7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.432 -1.621 -6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.222 -0.521 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.741 -1.461 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.293 -2.002 -2.771 1.00 0.00 H new ATOM 1378 N GLY A 88 7.779 -7.056 -4.038 1.00 0.00 N ATOM 1379 CA GLY A 88 7.214 -8.404 -3.857 1.00 0.00 C ATOM 1380 C GLY A 88 7.319 -8.913 -2.413 1.00 0.00 C ATOM 1381 O GLY A 88 6.421 -9.605 -1.927 1.00 0.00 O ATOM 0 H GLY A 88 8.578 -7.027 -4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.166 -8.395 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.730 -9.099 -4.519 1.00 0.00 H new ATOM 1385 N GLU A 89 8.442 -8.562 -1.740 1.00 0.00 N ATOM 1386 CA GLU A 89 8.681 -8.886 -0.309 1.00 0.00 C ATOM 1387 C GLU A 89 7.614 -8.208 0.577 1.00 0.00 C ATOM 1388 O GLU A 89 7.035 -8.832 1.488 1.00 0.00 O ATOM 1389 CB GLU A 89 10.097 -8.405 0.122 1.00 0.00 C ATOM 1390 CG GLU A 89 11.273 -9.046 -0.626 1.00 0.00 C ATOM 1391 CD GLU A 89 11.491 -10.519 -0.259 1.00 0.00 C ATOM 1392 OE1 GLU A 89 11.958 -10.790 0.872 1.00 0.00 O ATOM 1393 OE2 GLU A 89 11.196 -11.412 -1.078 1.00 0.00 O ATOM 0 H GLU A 89 9.208 -8.046 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 89 8.616 -9.967 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.150 -7.325 -0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.218 -8.600 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.099 -8.967 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.182 -8.486 -0.409 1.00 0.00 H new ATOM 1400 N LEU A 90 7.402 -6.912 0.288 1.00 0.00 N ATOM 1401 CA LEU A 90 6.346 -6.066 0.885 1.00 0.00 C ATOM 1402 C LEU A 90 4.979 -6.780 0.784 1.00 0.00 C ATOM 1403 O LEU A 90 4.355 -7.106 1.799 1.00 0.00 O ATOM 1404 CB LEU A 90 6.345 -4.700 0.120 1.00 0.00 C ATOM 1405 CG LEU A 90 5.525 -3.481 0.676 1.00 0.00 C ATOM 1406 CD1 LEU A 90 5.804 -2.237 -0.190 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.002 -3.725 0.759 1.00 0.00 C ATOM 0 H LEU A 90 7.976 -6.407 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 90 6.535 -5.887 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.383 -4.378 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.986 -4.896 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 90 5.862 -3.330 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.235 -1.391 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.868 -2.003 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.506 -2.436 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.512 -2.835 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.614 -3.943 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.804 -4.570 1.419 1.00 0.00 H new ATOM 1419 N ILE A 91 4.563 -7.032 -0.466 1.00 0.00 N ATOM 1420 CA ILE A 91 3.257 -7.635 -0.798 1.00 0.00 C ATOM 1421 C ILE A 91 3.139 -9.048 -0.174 1.00 0.00 C ATOM 1422 O ILE A 91 2.038 -9.496 0.151 1.00 0.00 O ATOM 1423 CB ILE A 91 3.060 -7.670 -2.368 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.122 -6.221 -2.967 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.750 -8.385 -2.795 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.038 -5.257 -2.509 1.00 0.00 C ATOM 0 H ILE A 91 5.129 -6.821 -1.288 1.00 0.00 H new ATOM 0 HA ILE A 91 2.461 -7.023 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 91 3.884 -8.257 -2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.091 -5.789 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.076 -6.297 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.669 -8.378 -3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.765 -9.415 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.894 -7.865 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.185 -4.290 -2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.060 -5.653 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.091 -5.137 -1.427 1.00 0.00 H new ATOM 1438 N GLY A 92 4.300 -9.706 0.020 1.00 0.00 N ATOM 1439 CA GLY A 92 4.385 -11.002 0.692 1.00 0.00 C ATOM 1440 C GLY A 92 3.801 -10.995 2.105 1.00 0.00 C ATOM 1441 O GLY A 92 2.835 -11.718 2.392 1.00 0.00 O ATOM 0 H GLY A 92 5.203 -9.346 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.861 -11.748 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.430 -11.310 0.740 1.00 0.00 H new ATOM 1445 N LEU A 93 4.379 -10.155 2.985 1.00 0.00 N ATOM 1446 CA LEU A 93 3.956 -10.066 4.397 1.00 0.00 C ATOM 1447 C LEU A 93 2.616 -9.326 4.571 1.00 0.00 C ATOM 1448 O LEU A 93 1.842 -9.655 5.476 1.00 0.00 O ATOM 1449 CB LEU A 93 5.061 -9.391 5.256 1.00 0.00 C ATOM 1450 CG LEU A 93 6.411 -10.165 5.377 1.00 0.00 C ATOM 1451 CD1 LEU A 93 7.379 -9.449 6.340 1.00 0.00 C ATOM 1452 CD2 LEU A 93 6.192 -11.639 5.790 1.00 0.00 C ATOM 0 H LEU A 93 5.144 -9.525 2.742 1.00 0.00 H new ATOM 0 HA LEU A 93 3.803 -11.088 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.267 -8.407 4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.666 -9.233 6.259 1.00 0.00 H new ATOM 0 HG LEU A 93 6.871 -10.174 4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.311 -10.011 6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.586 -8.445 5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.926 -9.384 7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.156 -12.143 5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.689 -11.675 6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.577 -12.139 5.042 1.00 0.00 H new ATOM 1464 N TYR A 94 2.339 -8.335 3.709 1.00 0.00 N ATOM 1465 CA TYR A 94 1.163 -7.447 3.857 1.00 0.00 C ATOM 1466 C TYR A 94 -0.124 -8.087 3.297 1.00 0.00 C ATOM 1467 O TYR A 94 -1.223 -7.680 3.677 1.00 0.00 O ATOM 1468 CB TYR A 94 1.472 -6.055 3.212 1.00 0.00 C ATOM 1469 CG TYR A 94 2.451 -5.183 4.045 1.00 0.00 C ATOM 1470 CD1 TYR A 94 3.675 -5.688 4.496 1.00 0.00 C ATOM 1471 CD2 TYR A 94 2.133 -3.869 4.403 1.00 0.00 C ATOM 1472 CE1 TYR A 94 4.537 -4.928 5.259 1.00 0.00 C ATOM 1473 CE2 TYR A 94 2.993 -3.104 5.175 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.196 -3.642 5.601 1.00 0.00 C ATOM 1475 OH TYR A 94 5.056 -2.891 6.375 1.00 0.00 O ATOM 0 H TYR A 94 2.915 -8.123 2.894 1.00 0.00 H new ATOM 0 HA TYR A 94 0.972 -7.295 4.919 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.893 -6.210 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.537 -5.510 3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.953 -6.700 4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.198 -3.442 4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.478 -5.343 5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.726 -2.092 5.443 1.00 0.00 H new ATOM 0 HH TYR A 94 4.561 -2.491 7.120 1.00 0.00 H new ATOM 1485 N ALA A 95 0.008 -9.077 2.388 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.135 -9.935 1.968 1.00 0.00 C ATOM 1487 C ALA A 95 -1.687 -10.785 3.135 1.00 0.00 C ATOM 1488 O ALA A 95 -2.809 -11.302 3.062 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.720 -10.833 0.797 1.00 0.00 C ATOM 0 H ALA A 95 0.890 -9.306 1.929 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.939 -9.274 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.564 -11.455 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.411 -10.213 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.110 -11.470 1.103 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.886 -10.915 4.200 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.242 -11.637 5.431 1.00 0.00 C ATOM 1497 C GLN A 96 -0.881 -10.744 6.656 1.00 0.00 C ATOM 1498 O GLN A 96 0.062 -11.044 7.400 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.501 -13.013 5.431 1.00 0.00 C ATOM 1500 CG GLN A 96 1.014 -12.924 5.112 1.00 0.00 C ATOM 1501 CD GLN A 96 1.721 -14.276 5.020 1.00 0.00 C ATOM 1502 OE1 GLN A 96 1.335 -15.249 5.676 1.00 0.00 O ATOM 1503 NE2 GLN A 96 2.775 -14.341 4.219 1.00 0.00 N ATOM 0 H GLN A 96 0.050 -10.512 4.232 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.311 -11.844 5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.628 -13.480 6.408 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.976 -13.668 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.143 -12.395 4.168 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.500 -12.325 5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.066 -13.518 3.692 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.295 -15.214 4.130 1.00 0.00 H new ATOM 1512 N PRO A 97 -1.624 -9.603 6.875 1.00 0.00 N ATOM 1513 CA PRO A 97 -1.210 -8.567 7.843 1.00 0.00 C ATOM 1514 C PRO A 97 -1.443 -8.963 9.321 1.00 0.00 C ATOM 1515 O PRO A 97 -0.489 -9.409 9.974 1.00 0.00 O ATOM 1516 CB PRO A 97 -2.019 -7.324 7.394 1.00 0.00 C ATOM 1517 CG PRO A 97 -3.275 -7.879 6.775 1.00 0.00 C ATOM 1518 CD PRO A 97 -2.905 -9.239 6.197 1.00 0.00 C ATOM 0 HA PRO A 97 -0.134 -8.392 7.832 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.249 -6.676 8.240 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.457 -6.725 6.677 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.065 -7.975 7.520 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.650 -7.215 5.996 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.682 -9.978 6.395 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.780 -9.189 5.115 1.00 0.00 H new ATOM 1526 N ASN A 98 -2.700 -8.794 9.808 1.00 0.00 N ATOM 1527 CA ASN A 98 -3.121 -8.922 11.222 1.00 0.00 C ATOM 1528 C ASN A 98 -2.975 -7.526 11.859 1.00 0.00 C ATOM 1529 O ASN A 98 -3.911 -6.728 11.804 1.00 0.00 O ATOM 1530 CB ASN A 98 -2.420 -10.064 12.043 1.00 0.00 C ATOM 1531 CG ASN A 98 -2.947 -10.220 13.479 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -2.480 -9.552 14.403 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -3.902 -11.121 13.678 1.00 0.00 N ATOM 0 H ASN A 98 -3.480 -8.554 9.196 1.00 0.00 H new ATOM 0 HA ASN A 98 -4.158 -9.256 11.246 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.550 -11.009 11.515 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.349 -9.865 12.080 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -4.270 -11.276 14.617 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -4.268 -11.658 12.892 1.00 0.00 H new ATOM 1540 N GLN A 99 -1.805 -7.215 12.436 1.00 0.00 N ATOM 1541 CA GLN A 99 -1.472 -5.849 12.891 1.00 0.00 C ATOM 1542 C GLN A 99 -1.015 -4.942 11.716 1.00 0.00 C ATOM 1543 O GLN A 99 -0.396 -5.414 10.757 1.00 0.00 O ATOM 1544 CB GLN A 99 -0.367 -5.953 13.977 1.00 0.00 C ATOM 1545 CG GLN A 99 0.133 -4.609 14.532 1.00 0.00 C ATOM 1546 CD GLN A 99 1.157 -4.764 15.648 1.00 0.00 C ATOM 1547 OE1 GLN A 99 2.353 -4.872 15.397 1.00 0.00 O ATOM 1548 NE2 GLN A 99 0.695 -4.768 16.882 1.00 0.00 N ATOM 0 H GLN A 99 -1.064 -7.896 12.602 1.00 0.00 H new ATOM 0 HA GLN A 99 -2.365 -5.383 13.309 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.749 -6.551 14.805 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.482 -6.494 13.558 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.574 -4.030 13.721 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.718 -4.038 14.905 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.307 -4.676 17.052 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.339 -4.863 17.667 1.00 0.00 H new ATOM 1557 N GLY A 100 -1.390 -3.647 11.779 1.00 0.00 N ATOM 1558 CA GLY A 100 -0.821 -2.599 10.924 1.00 0.00 C ATOM 1559 C GLY A 100 -1.802 -2.076 9.884 1.00 0.00 C ATOM 1560 O GLY A 100 -2.113 -0.879 9.855 1.00 0.00 O ATOM 0 H GLY A 100 -2.098 -3.304 12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.488 -1.770 11.549 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.061 -2.991 10.418 1.00 0.00 H new ATOM 1564 N LEU A 101 -2.294 -2.984 9.019 1.00 0.00 N ATOM 1565 CA LEU A 101 -3.163 -2.618 7.886 1.00 0.00 C ATOM 1566 C LEU A 101 -4.643 -2.446 8.298 1.00 0.00 C ATOM 1567 O LEU A 101 -5.067 -2.885 9.372 1.00 0.00 O ATOM 1568 CB LEU A 101 -3.050 -3.646 6.722 1.00 0.00 C ATOM 1569 CG LEU A 101 -1.637 -3.852 6.081 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -1.746 -4.659 4.771 1.00 0.00 C ATOM 1571 CD2 LEU A 101 -0.903 -2.524 5.849 1.00 0.00 C ATOM 0 H LEU A 101 -2.102 -3.984 9.085 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.804 -1.650 7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.398 -4.611 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.737 -3.339 5.933 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.040 -4.423 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.753 -4.791 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.184 -5.635 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.379 -4.122 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.072 -2.720 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.489 -1.897 5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.770 -2.011 6.801 1.00 0.00 H new ATOM 1583 N VAL A 102 -5.406 -1.814 7.394 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.873 -1.629 7.538 1.00 0.00 C ATOM 1585 C VAL A 102 -7.614 -2.887 7.037 1.00 0.00 C ATOM 1586 O VAL A 102 -8.741 -3.179 7.460 1.00 0.00 O ATOM 1587 CB VAL A 102 -7.396 -0.352 6.774 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -6.767 0.941 7.358 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -7.171 -0.452 5.235 1.00 0.00 C ATOM 0 H VAL A 102 -5.029 -1.412 6.536 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.079 -1.477 8.598 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.474 -0.302 6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.144 1.807 6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -7.032 1.031 8.411 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.682 0.895 7.260 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.547 0.450 4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.106 -0.556 5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.703 -1.320 4.845 1.00 0.00 H new ATOM 1599 N CYS A 103 -6.930 -3.620 6.149 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.440 -4.810 5.470 1.00 0.00 C ATOM 1601 C CYS A 103 -6.259 -5.564 4.842 1.00 0.00 C ATOM 1602 O CYS A 103 -5.148 -5.019 4.750 1.00 0.00 O ATOM 1603 CB CYS A 103 -8.451 -4.403 4.374 1.00 0.00 C ATOM 1604 SG CYS A 103 -9.158 -5.788 3.457 1.00 0.00 S ATOM 0 H CYS A 103 -5.974 -3.390 5.877 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.949 -5.453 6.187 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.261 -3.838 4.836 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.956 -3.733 3.671 1.00 0.00 H new ATOM 0 HG CYS A 103 -10.425 -5.574 3.256 1.00 0.00 H new ATOM 1610 N ALA A 104 -6.505 -6.806 4.403 1.00 0.00 N ATOM 1611 CA ALA A 104 -5.516 -7.584 3.640 1.00 0.00 C ATOM 1612 C ALA A 104 -5.473 -7.094 2.185 1.00 0.00 C ATOM 1613 O ALA A 104 -6.306 -6.270 1.762 1.00 0.00 O ATOM 1614 CB ALA A 104 -5.826 -9.092 3.710 1.00 0.00 C ATOM 0 H ALA A 104 -7.385 -7.296 4.564 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.533 -7.432 4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.080 -9.644 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.802 -9.420 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.815 -9.280 3.293 1.00 0.00 H new ATOM 1620 N LEU A 105 -4.488 -7.579 1.432 1.00 0.00 N ATOM 1621 CA LEU A 105 -4.374 -7.287 0.009 1.00 0.00 C ATOM 1622 C LEU A 105 -5.317 -8.228 -0.780 1.00 0.00 C ATOM 1623 O LEU A 105 -4.986 -9.393 -1.012 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.891 -7.417 -0.430 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.849 -6.571 0.383 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -0.446 -6.696 -0.229 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -2.276 -5.092 0.540 1.00 0.00 C ATOM 0 H LEU A 105 -3.750 -8.184 1.792 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.682 -6.263 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.605 -8.467 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.819 -7.132 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.816 -6.985 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.259 -6.101 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.135 -7.741 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.464 -6.335 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.519 -4.553 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.380 -4.637 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.230 -5.042 1.066 1.00 0.00 H new ATOM 1639 N LEU A 106 -6.524 -7.716 -1.126 1.00 0.00 N ATOM 1640 CA LEU A 106 -7.573 -8.478 -1.850 1.00 0.00 C ATOM 1641 C LEU A 106 -7.445 -8.261 -3.368 1.00 0.00 C ATOM 1642 O LEU A 106 -7.253 -9.210 -4.134 1.00 0.00 O ATOM 1643 CB LEU A 106 -9.020 -8.063 -1.384 1.00 0.00 C ATOM 1644 CG LEU A 106 -9.578 -8.711 -0.071 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -8.721 -8.388 1.163 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -11.058 -8.304 0.160 1.00 0.00 C ATOM 0 H LEU A 106 -6.799 -6.758 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.425 -9.532 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.033 -6.981 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.712 -8.296 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.530 -9.791 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -9.156 -8.863 2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.709 -8.763 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.690 -7.309 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.423 -8.766 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.128 -7.220 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.663 -8.640 -0.682 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.521 -6.986 -3.787 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.724 -6.605 -5.202 1.00 0.00 C ATOM 1660 C LEU A 107 -6.699 -5.529 -5.639 1.00 0.00 C ATOM 1661 O LEU A 107 -6.802 -4.384 -5.194 1.00 0.00 O ATOM 1662 CB LEU A 107 -9.184 -6.083 -5.392 1.00 0.00 C ATOM 1663 CG LEU A 107 -9.580 -5.620 -6.837 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -9.467 -6.763 -7.872 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -10.987 -4.982 -6.844 1.00 0.00 C ATOM 0 H LEU A 107 -7.444 -6.188 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.570 -7.482 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.871 -6.872 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.338 -5.246 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.862 -4.858 -7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.752 -6.392 -8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.439 -7.125 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.130 -7.579 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.239 -4.669 -7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.719 -5.711 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.997 -4.115 -6.183 1.00 0.00 H new ATOM 1677 N PRO A 108 -5.667 -5.889 -6.480 1.00 0.00 N ATOM 1678 CA PRO A 108 -4.769 -4.887 -7.112 1.00 0.00 C ATOM 1679 C PRO A 108 -5.530 -4.096 -8.201 1.00 0.00 C ATOM 1680 O PRO A 108 -6.113 -4.689 -9.116 1.00 0.00 O ATOM 1681 CB PRO A 108 -3.617 -5.750 -7.701 1.00 0.00 C ATOM 1682 CG PRO A 108 -4.243 -7.093 -7.948 1.00 0.00 C ATOM 1683 CD PRO A 108 -5.278 -7.282 -6.851 1.00 0.00 C ATOM 0 HA PRO A 108 -4.395 -4.132 -6.420 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.228 -5.317 -8.623 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.781 -5.824 -7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.708 -7.131 -8.933 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -3.494 -7.884 -7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.135 -7.855 -7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.863 -7.821 -5.999 1.00 0.00 H new ATOM 1691 N VAL A 109 -5.545 -2.762 -8.080 1.00 0.00 N ATOM 1692 CA VAL A 109 -6.361 -1.877 -8.930 1.00 0.00 C ATOM 1693 C VAL A 109 -5.417 -1.033 -9.827 1.00 0.00 C ATOM 1694 O VAL A 109 -4.687 -0.172 -9.295 1.00 0.00 O ATOM 1695 CB VAL A 109 -7.294 -0.954 -8.043 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -8.276 -0.112 -8.903 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -8.061 -1.794 -6.984 1.00 0.00 C ATOM 1698 OXT VAL A 109 -5.393 -1.246 -11.060 1.00 0.00 O ATOM 0 H VAL A 109 -4.989 -2.261 -7.387 1.00 0.00 H new ATOM 0 HA VAL A 109 -7.013 -2.476 -9.566 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.645 -0.251 -7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.894 0.504 -8.251 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.710 0.529 -9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.914 -0.778 -9.484 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.695 -1.137 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.680 -2.537 -7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.347 -2.298 -6.333 1.00 0.00 H new TER 1708 VAL A 109