USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 592 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 14 CYS SG : rot 180:sc= -0.342 USER MOD Set 1.2: A 17 CYS SG : rot 70:sc= 0.754 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 146:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 44 THR OG1 : rot 85:sc= 1.86 USER MOD Single : A 7 MET CE :methyl 156:sc= -0.127 (180deg=-0.457) USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= 1.17 (180deg=1.04) USER MOD Single : A 12 MET CE :methyl 178:sc= 0 (180deg=-0.00521) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 145:sc= 0.957 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 32 GLN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc= 0.762 K(o=0.76,f=-5!) USER MOD Single : A 47 TYR OH : rot 166:sc= -0.046 USER MOD Single : A 48 GLN : amide:sc= -0.995 K(o=-1,f=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 156:sc= -0.0416 (180deg=-0.903) USER MOD Single : A 58 LYS NZ :NH3+ -145:sc= 1.1 (180deg=-2.63!) USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 1.19 (180deg=1.11) USER MOD Single : A 60 GLN : amide:sc= -0.0504 X(o=-0.05,f=-0.05) USER MOD Single : A 64 MET CE :methyl -165:sc= 0 (180deg=-0.374) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 1.549 1.278 14.292 1.00 0.00 N ATOM 11 CA GLU A 2 1.342 1.145 12.867 1.00 0.00 C ATOM 12 C GLU A 2 1.154 -0.337 12.563 1.00 0.00 C ATOM 13 O GLU A 2 1.584 -1.183 13.345 1.00 0.00 O ATOM 14 CB GLU A 2 2.537 1.739 12.100 1.00 0.00 C ATOM 15 CG GLU A 2 3.925 1.364 12.659 1.00 0.00 C ATOM 16 CD GLU A 2 4.628 2.535 13.345 1.00 0.00 C ATOM 17 OE1 GLU A 2 4.338 2.781 14.540 1.00 0.00 O ATOM 18 OE2 GLU A 2 5.425 3.200 12.654 1.00 0.00 O ATOM 0 HA GLU A 2 0.457 1.695 12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.481 1.413 11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.444 2.825 12.099 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.815 0.546 13.371 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.551 0.997 11.846 1.00 0.00 H new ATOM 25 N VAL A 3 0.485 -0.634 11.450 1.00 0.00 N ATOM 26 CA VAL A 3 0.259 -1.975 10.951 1.00 0.00 C ATOM 27 C VAL A 3 0.763 -2.002 9.511 1.00 0.00 C ATOM 28 O VAL A 3 0.497 -1.080 8.737 1.00 0.00 O ATOM 29 CB VAL A 3 -1.237 -2.295 11.049 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.611 -3.662 10.471 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.691 -2.235 12.515 1.00 0.00 C ATOM 0 H VAL A 3 0.073 0.085 10.854 1.00 0.00 H new ATOM 0 HA VAL A 3 0.789 -2.731 11.530 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.747 -1.541 10.449 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.685 -3.820 10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.340 -3.698 9.416 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.076 -4.444 11.010 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.755 -2.464 12.576 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.129 -2.963 13.100 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.511 -1.235 12.911 1.00 0.00 H new ATOM 41 N VAL A 4 1.504 -3.060 9.181 1.00 0.00 N ATOM 42 CA VAL A 4 1.978 -3.366 7.840 1.00 0.00 C ATOM 43 C VAL A 4 0.894 -4.217 7.187 1.00 0.00 C ATOM 44 O VAL A 4 0.411 -5.167 7.803 1.00 0.00 O ATOM 45 CB VAL A 4 3.346 -4.098 7.904 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.378 -5.455 7.187 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.473 -3.275 7.283 1.00 0.00 C ATOM 0 H VAL A 4 1.799 -3.751 9.870 1.00 0.00 H new ATOM 0 HA VAL A 4 2.149 -2.465 7.252 1.00 0.00 H new ATOM 0 HB VAL A 4 3.489 -4.246 8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.371 -5.894 7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.642 -6.121 7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.144 -5.315 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.409 -3.829 7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.245 -3.077 6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.571 -2.330 7.818 1.00 0.00 H new ATOM 57 N LEU A 5 0.541 -3.908 5.940 1.00 0.00 N ATOM 58 CA LEU A 5 -0.189 -4.810 5.076 1.00 0.00 C ATOM 59 C LEU A 5 0.684 -5.115 3.870 1.00 0.00 C ATOM 60 O LEU A 5 1.444 -4.249 3.424 1.00 0.00 O ATOM 61 CB LEU A 5 -1.487 -4.159 4.614 1.00 0.00 C ATOM 62 CG LEU A 5 -2.454 -3.829 5.754 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.739 -3.320 5.119 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.847 -5.040 6.603 1.00 0.00 C ATOM 0 H LEU A 5 0.760 -3.012 5.504 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.434 -5.726 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.250 -3.242 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.985 -4.824 3.909 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.952 -3.111 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.458 -3.073 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.525 -2.430 4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.157 -4.093 4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.533 -4.726 7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.334 -5.784 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.954 -5.474 7.053 1.00 0.00 H new ATOM 76 N LYS A 6 0.555 -6.338 3.349 1.00 0.00 N ATOM 77 CA LYS A 6 1.263 -6.804 2.175 1.00 0.00 C ATOM 78 C LYS A 6 0.209 -7.138 1.122 1.00 0.00 C ATOM 79 O LYS A 6 -0.640 -8.012 1.332 1.00 0.00 O ATOM 80 CB LYS A 6 2.134 -8.019 2.528 1.00 0.00 C ATOM 81 CG LYS A 6 3.491 -7.999 1.824 1.00 0.00 C ATOM 82 CD LYS A 6 4.468 -7.045 2.519 1.00 0.00 C ATOM 83 CE LYS A 6 5.826 -7.127 1.812 1.00 0.00 C ATOM 84 NZ LYS A 6 6.835 -6.253 2.430 1.00 0.00 N ATOM 0 H LYS A 6 -0.064 -7.043 3.750 1.00 0.00 H new ATOM 0 HA LYS A 6 1.940 -6.043 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.290 -8.048 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.603 -8.932 2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.910 -9.005 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.359 -7.694 0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.087 -6.024 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.573 -7.312 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.181 -8.157 1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.704 -6.852 0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.771 -6.702 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.853 -5.339 1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.595 -6.099 3.430 1.00 0.00 H new ATOM 98 N MET A 7 0.256 -6.409 0.010 1.00 0.00 N ATOM 99 CA MET A 7 -0.627 -6.544 -1.119 1.00 0.00 C ATOM 100 C MET A 7 0.206 -6.927 -2.333 1.00 0.00 C ATOM 101 O MET A 7 1.109 -6.193 -2.716 1.00 0.00 O ATOM 102 CB MET A 7 -1.416 -5.249 -1.332 1.00 0.00 C ATOM 103 CG MET A 7 -0.713 -3.972 -0.867 1.00 0.00 C ATOM 104 SD MET A 7 -1.542 -2.413 -1.258 1.00 0.00 S ATOM 105 CE MET A 7 -2.768 -2.338 0.069 1.00 0.00 C ATOM 0 H MET A 7 0.950 -5.674 -0.123 1.00 0.00 H new ATOM 0 HA MET A 7 -1.363 -7.328 -0.945 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.645 -5.152 -2.393 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.368 -5.332 -0.807 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.582 -4.028 0.214 1.00 0.00 H new ATOM 0 HG3 MET A 7 0.283 -3.950 -1.309 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.058 -1.301 0.238 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.646 -2.919 -0.214 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.340 -2.749 0.983 1.00 0.00 H new ATOM 115 N LYS A 8 -0.074 -8.085 -2.929 1.00 0.00 N ATOM 116 CA LYS A 8 0.582 -8.456 -4.182 1.00 0.00 C ATOM 117 C LYS A 8 0.041 -7.527 -5.255 1.00 0.00 C ATOM 118 O LYS A 8 -1.150 -7.238 -5.207 1.00 0.00 O ATOM 119 CB LYS A 8 0.280 -9.907 -4.554 1.00 0.00 C ATOM 120 CG LYS A 8 1.096 -10.917 -3.756 1.00 0.00 C ATOM 121 CD LYS A 8 0.905 -10.845 -2.235 1.00 0.00 C ATOM 122 CE LYS A 8 1.633 -12.012 -1.550 1.00 0.00 C ATOM 123 NZ LYS A 8 2.424 -11.557 -0.392 1.00 0.00 N ATOM 0 H LYS A 8 -0.739 -8.772 -2.573 1.00 0.00 H new ATOM 0 HA LYS A 8 1.664 -8.365 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.781 -10.102 -4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.476 -10.051 -5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.835 -11.920 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.152 -10.769 -3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.288 -9.897 -1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.157 -10.878 -1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.904 -12.754 -1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.289 -12.504 -2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.618 -12.364 0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.323 -11.152 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.890 -10.834 0.131 1.00 0.00 H new ATOM 137 N VAL A 9 0.869 -7.055 -6.188 1.00 0.00 N ATOM 138 CA VAL A 9 0.420 -6.207 -7.277 1.00 0.00 C ATOM 139 C VAL A 9 0.909 -6.810 -8.583 1.00 0.00 C ATOM 140 O VAL A 9 1.993 -7.380 -8.620 1.00 0.00 O ATOM 141 CB VAL A 9 0.945 -4.779 -7.103 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.235 -4.062 -5.950 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.465 -4.706 -6.920 1.00 0.00 C ATOM 0 H VAL A 9 1.869 -7.254 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.669 -6.153 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 9 0.717 -4.266 -8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.630 -3.051 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.835 -4.016 -6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.404 -4.609 -5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.768 -3.666 -6.803 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.752 -5.270 -6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.958 -5.131 -7.795 1.00 0.00 H new ATOM 153 N GLU A 10 0.122 -6.662 -9.646 1.00 0.00 N ATOM 154 CA GLU A 10 0.443 -7.215 -10.953 1.00 0.00 C ATOM 155 C GLU A 10 0.883 -6.071 -11.871 1.00 0.00 C ATOM 156 O GLU A 10 0.413 -4.944 -11.719 1.00 0.00 O ATOM 157 CB GLU A 10 -0.761 -7.967 -11.526 1.00 0.00 C ATOM 158 CG GLU A 10 -1.408 -8.899 -10.489 1.00 0.00 C ATOM 159 CD GLU A 10 -0.481 -9.981 -9.945 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.296 -10.527 -10.757 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.602 -10.265 -8.732 1.00 0.00 O ATOM 0 H GLU A 10 -0.761 -6.152 -9.621 1.00 0.00 H new ATOM 0 HA GLU A 10 1.257 -7.934 -10.868 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.501 -7.249 -11.879 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.445 -8.551 -12.390 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.772 -8.298 -9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.277 -9.377 -10.941 1.00 0.00 H new ATOM 168 N GLY A 11 1.788 -6.326 -12.817 1.00 0.00 N ATOM 169 CA GLY A 11 2.123 -5.382 -13.880 1.00 0.00 C ATOM 170 C GLY A 11 3.078 -4.264 -13.445 1.00 0.00 C ATOM 171 O GLY A 11 3.851 -3.766 -14.262 1.00 0.00 O ATOM 0 H GLY A 11 2.312 -7.200 -12.866 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.574 -5.929 -14.708 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.204 -4.934 -14.257 1.00 0.00 H new ATOM 175 N MET A 12 3.011 -3.839 -12.180 1.00 0.00 N ATOM 176 CA MET A 12 3.863 -2.792 -11.638 1.00 0.00 C ATOM 177 C MET A 12 5.334 -3.219 -11.702 1.00 0.00 C ATOM 178 O MET A 12 5.847 -3.885 -10.806 1.00 0.00 O ATOM 179 CB MET A 12 3.429 -2.450 -10.211 1.00 0.00 C ATOM 180 CG MET A 12 2.040 -1.792 -10.192 1.00 0.00 C ATOM 181 SD MET A 12 1.271 -1.563 -8.567 1.00 0.00 S ATOM 182 CE MET A 12 2.495 -0.552 -7.715 1.00 0.00 C ATOM 0 H MET A 12 2.353 -4.221 -11.500 1.00 0.00 H new ATOM 0 HA MET A 12 3.758 -1.890 -12.241 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.412 -3.357 -9.607 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.158 -1.778 -9.758 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.119 -0.816 -10.672 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.369 -2.395 -10.804 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.133 -0.307 -6.716 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.432 -1.104 -7.637 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.662 0.368 -8.276 1.00 0.00 H new ATOM 192 N THR A 13 6.003 -2.859 -12.796 1.00 0.00 N ATOM 193 CA THR A 13 7.344 -3.299 -13.131 1.00 0.00 C ATOM 194 C THR A 13 8.104 -2.161 -13.827 1.00 0.00 C ATOM 195 O THR A 13 8.736 -2.361 -14.861 1.00 0.00 O ATOM 196 CB THR A 13 7.216 -4.595 -13.945 1.00 0.00 C ATOM 197 OG1 THR A 13 6.398 -5.505 -13.231 1.00 0.00 O ATOM 198 CG2 THR A 13 8.554 -5.289 -14.188 1.00 0.00 C ATOM 0 H THR A 13 5.606 -2.230 -13.494 1.00 0.00 H new ATOM 0 HA THR A 13 7.943 -3.534 -12.251 1.00 0.00 H new ATOM 0 HB THR A 13 6.794 -4.316 -14.910 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.309 -6.336 -13.743 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.393 -6.197 -14.768 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.216 -4.620 -14.738 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.010 -5.546 -13.232 1.00 0.00 H new ATOM 206 N CYS A 14 8.065 -0.958 -13.243 1.00 0.00 N ATOM 207 CA CYS A 14 8.894 0.169 -13.642 1.00 0.00 C ATOM 208 C CYS A 14 8.878 1.193 -12.512 1.00 0.00 C ATOM 209 O CYS A 14 7.934 1.220 -11.720 1.00 0.00 O ATOM 210 CB CYS A 14 8.388 0.788 -14.951 1.00 0.00 C ATOM 211 SG CYS A 14 6.763 1.589 -14.867 1.00 0.00 S ATOM 0 H CYS A 14 7.441 -0.743 -12.465 1.00 0.00 H new ATOM 0 HA CYS A 14 9.915 -0.168 -13.823 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.118 1.523 -15.289 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.348 0.006 -15.709 1.00 0.00 H new ATOM 0 HG CYS A 14 6.456 2.071 -16.035 1.00 0.00 H new ATOM 216 N HIS A 15 9.888 2.067 -12.451 1.00 0.00 N ATOM 217 CA HIS A 15 9.981 3.130 -11.451 1.00 0.00 C ATOM 218 C HIS A 15 9.050 4.305 -11.791 1.00 0.00 C ATOM 219 O HIS A 15 9.437 5.463 -11.645 1.00 0.00 O ATOM 220 CB HIS A 15 11.442 3.585 -11.312 1.00 0.00 C ATOM 221 CG HIS A 15 12.337 2.564 -10.658 1.00 0.00 C ATOM 222 ND1 HIS A 15 12.769 2.598 -9.350 1.00 0.00 N ATOM 223 CD2 HIS A 15 12.901 1.468 -11.254 1.00 0.00 C ATOM 224 CE1 HIS A 15 13.575 1.539 -9.165 1.00 0.00 C ATOM 225 NE2 HIS A 15 13.690 0.824 -10.296 1.00 0.00 N ATOM 0 H HIS A 15 10.672 2.054 -13.103 1.00 0.00 H new ATOM 0 HA HIS A 15 9.649 2.737 -10.490 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.836 3.819 -12.301 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.472 4.507 -10.731 1.00 0.00 H new ATOM 0 HD2 HIS A 15 12.762 1.157 -12.279 1.00 0.00 H new ATOM 0 HE1 HIS A 15 14.064 1.296 -8.233 1.00 0.00 H new ATOM 0 HE2 HIS A 15 14.244 -0.022 -10.430 1.00 0.00 H new ATOM 233 N SER A 16 7.812 4.006 -12.189 1.00 0.00 N ATOM 234 CA SER A 16 6.769 4.989 -12.438 1.00 0.00 C ATOM 235 C SER A 16 5.518 4.565 -11.682 1.00 0.00 C ATOM 236 O SER A 16 5.067 5.313 -10.818 1.00 0.00 O ATOM 237 CB SER A 16 6.512 5.171 -13.938 1.00 0.00 C ATOM 238 OG SER A 16 7.498 6.021 -14.490 1.00 0.00 O ATOM 0 H SER A 16 7.504 3.047 -12.350 1.00 0.00 H new ATOM 0 HA SER A 16 7.088 5.966 -12.075 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.529 4.204 -14.440 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.521 5.595 -14.098 1.00 0.00 H new ATOM 0 HG SER A 16 7.332 6.134 -15.449 1.00 0.00 H new ATOM 244 N CYS A 17 4.971 3.379 -11.969 1.00 0.00 N ATOM 245 CA CYS A 17 3.755 2.910 -11.317 1.00 0.00 C ATOM 246 C CYS A 17 3.914 2.937 -9.792 1.00 0.00 C ATOM 247 O CYS A 17 3.170 3.629 -9.093 1.00 0.00 O ATOM 248 CB CYS A 17 3.387 1.513 -11.829 1.00 0.00 C ATOM 249 SG CYS A 17 3.327 1.328 -13.628 1.00 0.00 S ATOM 0 H CYS A 17 5.357 2.728 -12.652 1.00 0.00 H new ATOM 0 HA CYS A 17 2.934 3.582 -11.567 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.109 0.799 -11.433 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.413 1.242 -11.421 1.00 0.00 H new ATOM 0 HG CYS A 17 4.532 1.395 -14.112 1.00 0.00 H new ATOM 254 N THR A 18 4.918 2.208 -9.290 1.00 0.00 N ATOM 255 CA THR A 18 5.243 2.184 -7.869 1.00 0.00 C ATOM 256 C THR A 18 5.404 3.607 -7.339 1.00 0.00 C ATOM 257 O THR A 18 4.693 4.011 -6.426 1.00 0.00 O ATOM 258 CB THR A 18 6.475 1.306 -7.570 1.00 0.00 C ATOM 259 OG1 THR A 18 6.777 1.439 -6.199 1.00 0.00 O ATOM 260 CG2 THR A 18 7.739 1.688 -8.349 1.00 0.00 C ATOM 0 H THR A 18 5.525 1.620 -9.862 1.00 0.00 H new ATOM 0 HA THR A 18 4.411 1.721 -7.339 1.00 0.00 H new ATOM 0 HB THR A 18 6.209 0.292 -7.870 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.109 0.584 -5.853 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.553 1.017 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.546 1.605 -9.419 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.018 2.714 -8.109 1.00 0.00 H new ATOM 268 N SER A 19 6.315 4.377 -7.937 1.00 0.00 N ATOM 269 CA SER A 19 6.698 5.698 -7.460 1.00 0.00 C ATOM 270 C SER A 19 5.477 6.617 -7.385 1.00 0.00 C ATOM 271 O SER A 19 5.317 7.368 -6.426 1.00 0.00 O ATOM 272 CB SER A 19 7.789 6.254 -8.384 1.00 0.00 C ATOM 273 OG SER A 19 8.349 7.435 -7.849 1.00 0.00 O ATOM 0 H SER A 19 6.813 4.091 -8.780 1.00 0.00 H new ATOM 0 HA SER A 19 7.100 5.634 -6.449 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.570 5.506 -8.522 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.368 6.460 -9.368 1.00 0.00 H new ATOM 0 HG SER A 19 9.043 7.771 -8.454 1.00 0.00 H new ATOM 279 N THR A 20 4.587 6.539 -8.377 1.00 0.00 N ATOM 280 CA THR A 20 3.355 7.309 -8.377 1.00 0.00 C ATOM 281 C THR A 20 2.502 6.935 -7.164 1.00 0.00 C ATOM 282 O THR A 20 2.044 7.827 -6.450 1.00 0.00 O ATOM 283 CB THR A 20 2.605 7.115 -9.702 1.00 0.00 C ATOM 284 OG1 THR A 20 3.439 7.515 -10.768 1.00 0.00 O ATOM 285 CG2 THR A 20 1.338 7.974 -9.762 1.00 0.00 C ATOM 0 H THR A 20 4.705 5.942 -9.196 1.00 0.00 H new ATOM 0 HA THR A 20 3.589 8.370 -8.294 1.00 0.00 H new ATOM 0 HB THR A 20 2.331 6.063 -9.777 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.102 6.815 -10.945 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.833 7.811 -10.714 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.671 7.697 -8.945 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.607 9.026 -9.670 1.00 0.00 H new ATOM 293 N ILE A 21 2.286 5.638 -6.916 1.00 0.00 N ATOM 294 CA ILE A 21 1.544 5.192 -5.748 1.00 0.00 C ATOM 295 C ILE A 21 2.238 5.705 -4.482 1.00 0.00 C ATOM 296 O ILE A 21 1.591 6.318 -3.638 1.00 0.00 O ATOM 297 CB ILE A 21 1.377 3.656 -5.793 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.024 3.237 -6.369 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.519 2.982 -4.439 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.090 3.255 -7.884 1.00 0.00 C ATOM 0 H ILE A 21 2.619 4.883 -7.515 1.00 0.00 H new ATOM 0 HA ILE A 21 0.536 5.607 -5.741 1.00 0.00 H new ATOM 0 HB ILE A 21 2.190 3.327 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.239 2.239 -6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.756 3.913 -6.021 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.389 1.906 -4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.509 3.187 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.760 3.369 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.875 2.956 -8.294 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.334 4.261 -8.226 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.859 2.561 -8.223 1.00 0.00 H new ATOM 312 N GLU A 22 3.546 5.468 -4.361 1.00 0.00 N ATOM 313 CA GLU A 22 4.337 5.832 -3.200 1.00 0.00 C ATOM 314 C GLU A 22 4.178 7.323 -2.901 1.00 0.00 C ATOM 315 O GLU A 22 3.808 7.705 -1.791 1.00 0.00 O ATOM 316 CB GLU A 22 5.795 5.348 -3.376 1.00 0.00 C ATOM 317 CG GLU A 22 6.077 4.285 -2.303 1.00 0.00 C ATOM 318 CD GLU A 22 7.450 3.625 -2.373 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.370 4.258 -2.933 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.555 2.501 -1.828 1.00 0.00 O ATOM 0 H GLU A 22 4.091 5.006 -5.089 1.00 0.00 H new ATOM 0 HA GLU A 22 3.972 5.322 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.940 4.931 -4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.488 6.183 -3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.965 4.747 -1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.316 3.508 -2.378 1.00 0.00 H new ATOM 327 N GLY A 23 4.376 8.163 -3.915 1.00 0.00 N ATOM 328 CA GLY A 23 4.141 9.591 -3.837 1.00 0.00 C ATOM 329 C GLY A 23 2.710 9.915 -3.403 1.00 0.00 C ATOM 330 O GLY A 23 2.511 10.720 -2.494 1.00 0.00 O ATOM 0 H GLY A 23 4.711 7.857 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.843 10.036 -3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.336 10.044 -4.809 1.00 0.00 H new ATOM 334 N LYS A 24 1.700 9.330 -4.063 1.00 0.00 N ATOM 335 CA LYS A 24 0.310 9.649 -3.775 1.00 0.00 C ATOM 336 C LYS A 24 -0.033 9.298 -2.326 1.00 0.00 C ATOM 337 O LYS A 24 -0.412 10.166 -1.540 1.00 0.00 O ATOM 338 CB LYS A 24 -0.617 8.946 -4.784 1.00 0.00 C ATOM 339 CG LYS A 24 -1.897 9.749 -5.062 1.00 0.00 C ATOM 340 CD LYS A 24 -1.841 10.457 -6.427 1.00 0.00 C ATOM 341 CE LYS A 24 -0.750 11.535 -6.516 1.00 0.00 C ATOM 342 NZ LYS A 24 -0.630 12.075 -7.889 1.00 0.00 N ATOM 0 H LYS A 24 1.828 8.635 -4.798 1.00 0.00 H new ATOM 0 HA LYS A 24 0.157 10.722 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.079 8.789 -5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.885 7.961 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.758 9.082 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.041 10.489 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.670 9.714 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.809 10.914 -6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.981 12.345 -5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.206 11.113 -6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.115 12.800 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.386 11.305 -8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.535 12.499 -8.175 1.00 0.00 H new ATOM 356 N ILE A 25 0.125 8.021 -1.983 1.00 0.00 N ATOM 357 CA ILE A 25 -0.164 7.486 -0.661 1.00 0.00 C ATOM 358 C ILE A 25 0.662 8.231 0.389 1.00 0.00 C ATOM 359 O ILE A 25 0.156 8.541 1.464 1.00 0.00 O ATOM 360 CB ILE A 25 0.038 5.960 -0.621 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.806 5.187 -1.644 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.173 5.417 0.800 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.271 5.137 -1.246 1.00 0.00 C ATOM 0 H ILE A 25 0.466 7.315 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.215 7.651 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 25 1.074 5.791 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.711 5.658 -2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.421 4.172 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.025 4.337 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.542 5.883 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.187 5.645 1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.833 4.581 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.369 4.643 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.664 6.151 -1.176 1.00 0.00 H new ATOM 375 N GLY A 26 1.912 8.571 0.060 1.00 0.00 N ATOM 376 CA GLY A 26 2.778 9.389 0.892 1.00 0.00 C ATOM 377 C GLY A 26 2.094 10.640 1.447 1.00 0.00 C ATOM 378 O GLY A 26 2.379 11.044 2.571 1.00 0.00 O ATOM 0 H GLY A 26 2.352 8.276 -0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.144 8.786 1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.649 9.690 0.309 1.00 0.00 H new ATOM 382 N LYS A 27 1.206 11.271 0.671 1.00 0.00 N ATOM 383 CA LYS A 27 0.553 12.502 1.059 1.00 0.00 C ATOM 384 C LYS A 27 -0.678 12.263 1.946 1.00 0.00 C ATOM 385 O LYS A 27 -1.270 13.224 2.433 1.00 0.00 O ATOM 386 CB LYS A 27 0.218 13.256 -0.235 1.00 0.00 C ATOM 387 CG LYS A 27 -0.260 14.673 0.074 1.00 0.00 C ATOM 388 CD LYS A 27 0.003 15.655 -1.074 1.00 0.00 C ATOM 389 CE LYS A 27 -0.908 15.387 -2.280 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.324 15.920 -3.527 1.00 0.00 N ATOM 0 H LYS A 27 0.926 10.930 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 27 1.216 13.103 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.098 13.296 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.554 12.718 -0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.328 14.652 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.240 15.032 0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.153 16.675 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.045 15.580 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.071 14.314 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.883 15.843 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.964 15.722 -4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.191 16.948 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.595 15.466 -3.702 1.00 0.00 H new ATOM 404 N LEU A 28 -1.101 11.013 2.147 1.00 0.00 N ATOM 405 CA LEU A 28 -2.299 10.715 2.905 1.00 0.00 C ATOM 406 C LEU A 28 -2.056 10.803 4.407 1.00 0.00 C ATOM 407 O LEU A 28 -0.965 10.522 4.900 1.00 0.00 O ATOM 408 CB LEU A 28 -2.814 9.349 2.524 1.00 0.00 C ATOM 409 CG LEU A 28 -3.192 9.312 1.035 1.00 0.00 C ATOM 410 CD1 LEU A 28 -3.917 7.996 0.854 1.00 0.00 C ATOM 411 CD2 LEU A 28 -4.138 10.427 0.563 1.00 0.00 C ATOM 0 H LEU A 28 -0.619 10.189 1.787 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.052 11.464 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.053 8.596 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.683 9.099 3.132 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.280 9.441 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.223 7.889 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.253 7.175 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.798 7.975 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.339 10.307 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.074 10.369 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.672 11.397 0.737 1.00 0.00 H new ATOM 423 N GLN A 29 -3.109 11.169 5.134 1.00 0.00 N ATOM 424 CA GLN A 29 -3.089 11.280 6.580 1.00 0.00 C ATOM 425 C GLN A 29 -3.502 9.943 7.192 1.00 0.00 C ATOM 426 O GLN A 29 -4.538 9.395 6.826 1.00 0.00 O ATOM 427 CB GLN A 29 -3.953 12.465 7.039 1.00 0.00 C ATOM 428 CG GLN A 29 -5.422 12.354 6.614 1.00 0.00 C ATOM 429 CD GLN A 29 -6.242 13.583 6.997 1.00 0.00 C ATOM 430 OE1 GLN A 29 -5.703 14.651 7.263 1.00 0.00 O ATOM 431 NE2 GLN A 29 -7.564 13.447 7.023 1.00 0.00 N ATOM 0 H GLN A 29 -4.013 11.400 4.722 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.081 11.495 6.934 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.902 12.542 8.125 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.535 13.387 6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.474 12.210 5.535 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.863 11.470 7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.989 12.547 6.798 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.154 14.242 7.268 1.00 0.00 H new ATOM 440 N GLY A 30 -2.680 9.399 8.094 1.00 0.00 N ATOM 441 CA GLY A 30 -2.931 8.113 8.736 1.00 0.00 C ATOM 442 C GLY A 30 -1.777 7.151 8.506 1.00 0.00 C ATOM 443 O GLY A 30 -1.620 6.176 9.237 1.00 0.00 O ATOM 0 H GLY A 30 -1.815 9.846 8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.078 8.260 9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.852 7.681 8.344 1.00 0.00 H new ATOM 447 N VAL A 31 -0.984 7.413 7.469 1.00 0.00 N ATOM 448 CA VAL A 31 0.076 6.533 7.034 1.00 0.00 C ATOM 449 C VAL A 31 1.363 6.837 7.802 1.00 0.00 C ATOM 450 O VAL A 31 1.572 7.962 8.249 1.00 0.00 O ATOM 451 CB VAL A 31 0.233 6.710 5.512 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.353 5.845 4.916 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.076 6.380 4.776 1.00 0.00 C ATOM 0 H VAL A 31 -1.069 8.258 6.905 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.161 5.490 7.243 1.00 0.00 H new ATOM 0 HB VAL A 31 0.496 7.758 5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.412 6.016 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.304 6.111 5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.140 4.793 5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.934 6.514 3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.357 5.346 4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.866 7.045 5.123 1.00 0.00 H new ATOM 463 N GLN A 32 2.208 5.814 7.964 1.00 0.00 N ATOM 464 CA GLN A 32 3.484 5.891 8.664 1.00 0.00 C ATOM 465 C GLN A 32 4.642 5.560 7.718 1.00 0.00 C ATOM 466 O GLN A 32 5.683 6.210 7.768 1.00 0.00 O ATOM 467 CB GLN A 32 3.444 4.949 9.872 1.00 0.00 C ATOM 468 CG GLN A 32 2.579 5.535 11.001 1.00 0.00 C ATOM 469 CD GLN A 32 3.435 5.914 12.206 1.00 0.00 C ATOM 470 OE1 GLN A 32 4.318 6.759 12.098 1.00 0.00 O ATOM 471 NE2 GLN A 32 3.208 5.294 13.359 1.00 0.00 N ATOM 0 H GLN A 32 2.012 4.882 7.598 1.00 0.00 H new ATOM 0 HA GLN A 32 3.651 6.907 9.020 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.046 3.981 9.569 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.457 4.777 10.237 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.047 6.414 10.637 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.825 4.808 11.301 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.468 4.595 13.425 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.773 5.517 14.178 1.00 0.00 H new ATOM 480 N ARG A 33 4.482 4.557 6.851 1.00 0.00 N ATOM 481 CA ARG A 33 5.500 4.162 5.895 1.00 0.00 C ATOM 482 C ARG A 33 4.822 3.391 4.775 1.00 0.00 C ATOM 483 O ARG A 33 3.633 3.085 4.817 1.00 0.00 O ATOM 484 CB ARG A 33 6.621 3.367 6.593 1.00 0.00 C ATOM 485 CG ARG A 33 7.997 3.716 6.007 1.00 0.00 C ATOM 486 CD ARG A 33 9.123 3.038 6.794 1.00 0.00 C ATOM 487 NE ARG A 33 10.435 3.512 6.328 1.00 0.00 N ATOM 488 CZ ARG A 33 11.615 3.178 6.874 1.00 0.00 C ATOM 489 NH1 ARG A 33 11.657 2.283 7.867 1.00 0.00 N ATOM 490 NH2 ARG A 33 12.743 3.738 6.424 1.00 0.00 N ATOM 0 H ARG A 33 3.632 3.996 6.799 1.00 0.00 H new ATOM 0 HA ARG A 33 5.988 5.034 5.460 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.612 3.583 7.661 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.436 2.299 6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.040 3.404 4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.138 4.797 6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.010 3.250 7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.057 1.956 6.675 1.00 0.00 H new ATOM 0 HE ARG A 33 10.449 4.144 5.527 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.795 1.857 8.207 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.551 2.026 8.285 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.707 4.419 5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.639 3.484 6.839 1.00 0.00 H new ATOM 504 N ILE A 34 5.576 3.120 3.727 1.00 0.00 N ATOM 505 CA ILE A 34 5.099 2.503 2.531 1.00 0.00 C ATOM 506 C ILE A 34 6.351 1.918 1.891 1.00 0.00 C ATOM 507 O ILE A 34 7.424 2.514 2.004 1.00 0.00 O ATOM 508 CB ILE A 34 4.355 3.563 1.709 1.00 0.00 C ATOM 509 CG1 ILE A 34 3.959 2.945 0.375 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.148 4.868 1.520 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.812 3.706 -0.288 1.00 0.00 C ATOM 0 H ILE A 34 6.572 3.336 3.697 1.00 0.00 H new ATOM 0 HA ILE A 34 4.371 1.702 2.659 1.00 0.00 H new ATOM 0 HB ILE A 34 3.466 3.862 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.822 2.936 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.665 1.907 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.559 5.569 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.365 5.306 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.083 4.654 1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.561 3.232 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.940 3.692 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.115 4.738 -0.467 1.00 0.00 H new ATOM 523 N LYS A 35 6.235 0.718 1.327 1.00 0.00 N ATOM 524 CA LYS A 35 7.319 0.044 0.642 1.00 0.00 C ATOM 525 C LYS A 35 6.793 -0.740 -0.566 1.00 0.00 C ATOM 526 O LYS A 35 6.503 -1.934 -0.471 1.00 0.00 O ATOM 527 CB LYS A 35 8.170 -0.784 1.622 1.00 0.00 C ATOM 528 CG LYS A 35 9.400 -0.071 2.197 1.00 0.00 C ATOM 529 CD LYS A 35 10.401 0.274 1.088 1.00 0.00 C ATOM 530 CE LYS A 35 11.731 0.775 1.661 1.00 0.00 C ATOM 531 NZ LYS A 35 12.692 1.097 0.585 1.00 0.00 N ATOM 0 H LYS A 35 5.367 0.183 1.337 1.00 0.00 H new ATOM 0 HA LYS A 35 8.004 0.787 0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.535 -1.099 2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.502 -1.689 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.091 0.840 2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.880 -0.708 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.579 -0.607 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.974 1.037 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.556 1.661 2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.157 0.015 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.582 1.433 1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.876 0.245 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.294 1.840 -0.025 1.00 0.00 H new ATOM 545 N VAL A 36 6.645 -0.059 -1.700 1.00 0.00 N ATOM 546 CA VAL A 36 6.006 -0.597 -2.890 1.00 0.00 C ATOM 547 C VAL A 36 7.076 -1.177 -3.815 1.00 0.00 C ATOM 548 O VAL A 36 7.781 -0.433 -4.499 1.00 0.00 O ATOM 549 CB VAL A 36 5.127 0.487 -3.528 1.00 0.00 C ATOM 550 CG1 VAL A 36 4.424 -0.003 -4.800 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.040 0.894 -2.524 1.00 0.00 C ATOM 0 H VAL A 36 6.973 0.900 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 36 5.335 -1.422 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 36 5.778 1.321 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.815 0.802 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.170 -0.306 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.786 -0.854 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.408 1.665 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.432 0.025 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.507 1.282 -1.619 1.00 0.00 H new ATOM 561 N SER A 37 7.225 -2.505 -3.833 1.00 0.00 N ATOM 562 CA SER A 37 8.211 -3.143 -4.678 1.00 0.00 C ATOM 563 C SER A 37 7.673 -3.195 -6.107 1.00 0.00 C ATOM 564 O SER A 37 6.541 -2.798 -6.381 1.00 0.00 O ATOM 565 CB SER A 37 8.553 -4.533 -4.140 1.00 0.00 C ATOM 566 OG SER A 37 8.597 -4.538 -2.723 1.00 0.00 O ATOM 0 H SER A 37 6.671 -3.149 -3.269 1.00 0.00 H new ATOM 0 HA SER A 37 9.137 -2.569 -4.679 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.811 -5.252 -4.486 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.516 -4.853 -4.537 1.00 0.00 H new ATOM 0 HG SER A 37 8.816 -5.439 -2.406 1.00 0.00 H new ATOM 572 N LEU A 38 8.498 -3.706 -7.015 1.00 0.00 N ATOM 573 CA LEU A 38 8.161 -3.851 -8.414 1.00 0.00 C ATOM 574 C LEU A 38 8.726 -5.171 -8.928 1.00 0.00 C ATOM 575 O LEU A 38 8.000 -5.982 -9.499 1.00 0.00 O ATOM 576 CB LEU A 38 8.597 -2.621 -9.220 1.00 0.00 C ATOM 577 CG LEU A 38 10.036 -2.112 -9.060 1.00 0.00 C ATOM 578 CD1 LEU A 38 10.279 -1.051 -10.137 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.297 -1.499 -7.677 1.00 0.00 C ATOM 0 H LEU A 38 9.436 -4.035 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 38 7.079 -3.896 -8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.440 -2.844 -10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.925 -1.802 -8.964 1.00 0.00 H new ATOM 0 HG LEU A 38 10.714 -2.959 -9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.296 -0.669 -10.049 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.142 -1.495 -11.123 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.572 -0.232 -10.007 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.330 -1.156 -7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.625 -0.655 -7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.121 -2.250 -6.907 1.00 0.00 H new ATOM 591 N ASP A 39 10.004 -5.429 -8.647 1.00 0.00 N ATOM 592 CA ASP A 39 10.726 -6.630 -9.034 1.00 0.00 C ATOM 593 C ASP A 39 9.912 -7.866 -8.702 1.00 0.00 C ATOM 594 O ASP A 39 9.528 -8.638 -9.577 1.00 0.00 O ATOM 595 CB ASP A 39 12.070 -6.724 -8.284 1.00 0.00 C ATOM 596 CG ASP A 39 12.792 -5.390 -8.126 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.171 -4.502 -7.493 1.00 0.00 O ATOM 598 OD2 ASP A 39 13.928 -5.283 -8.631 1.00 0.00 O ATOM 0 H ASP A 39 10.584 -4.775 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 39 10.905 -6.575 -10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.893 -7.148 -7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.722 -7.417 -8.816 1.00 0.00 H new ATOM 603 N ASN A 40 9.642 -8.023 -7.404 1.00 0.00 N ATOM 604 CA ASN A 40 8.927 -9.172 -6.889 1.00 0.00 C ATOM 605 C ASN A 40 7.418 -8.891 -6.836 1.00 0.00 C ATOM 606 O ASN A 40 6.699 -9.540 -6.083 1.00 0.00 O ATOM 607 CB ASN A 40 9.493 -9.583 -5.530 1.00 0.00 C ATOM 608 CG ASN A 40 9.101 -11.003 -5.118 1.00 0.00 C ATOM 609 OD1 ASN A 40 8.689 -11.820 -5.934 1.00 0.00 O ATOM 610 ND2 ASN A 40 9.273 -11.334 -3.841 1.00 0.00 N ATOM 0 H ASN A 40 9.917 -7.351 -6.687 1.00 0.00 H new ATOM 0 HA ASN A 40 9.068 -10.015 -7.566 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.580 -9.507 -5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.144 -8.882 -4.771 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.061 -12.281 -3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.617 -10.641 -3.176 1.00 0.00 H new ATOM 617 N GLN A 41 6.960 -7.887 -7.600 1.00 0.00 N ATOM 618 CA GLN A 41 5.574 -7.476 -7.774 1.00 0.00 C ATOM 619 C GLN A 41 4.735 -7.578 -6.488 1.00 0.00 C ATOM 620 O GLN A 41 3.744 -8.303 -6.399 1.00 0.00 O ATOM 621 CB GLN A 41 5.008 -8.205 -9.010 1.00 0.00 C ATOM 622 CG GLN A 41 4.870 -7.246 -10.202 1.00 0.00 C ATOM 623 CD GLN A 41 4.843 -7.987 -11.532 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.812 -8.077 -12.192 1.00 0.00 O ATOM 625 NE2 GLN A 41 5.993 -8.511 -11.947 1.00 0.00 N ATOM 0 H GLN A 41 7.598 -7.307 -8.146 1.00 0.00 H new ATOM 0 HA GLN A 41 5.522 -6.406 -7.975 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.663 -9.033 -9.279 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.035 -8.634 -8.769 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.956 -6.663 -10.094 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.701 -6.540 -10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.832 -8.418 -11.374 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.036 -9.005 -12.838 1.00 0.00 H new ATOM 634 N GLU A 42 5.128 -6.806 -5.469 1.00 0.00 N ATOM 635 CA GLU A 42 4.475 -6.802 -4.174 1.00 0.00 C ATOM 636 C GLU A 42 4.555 -5.388 -3.624 1.00 0.00 C ATOM 637 O GLU A 42 5.499 -4.662 -3.928 1.00 0.00 O ATOM 638 CB GLU A 42 5.149 -7.819 -3.242 1.00 0.00 C ATOM 639 CG GLU A 42 4.380 -7.990 -1.926 1.00 0.00 C ATOM 640 CD GLU A 42 5.081 -8.958 -0.989 1.00 0.00 C ATOM 641 OE1 GLU A 42 6.269 -8.718 -0.693 1.00 0.00 O ATOM 642 OE2 GLU A 42 4.386 -9.889 -0.528 1.00 0.00 O ATOM 0 H GLU A 42 5.917 -6.163 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 42 3.429 -7.097 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.221 -8.782 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.167 -7.495 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.275 -7.021 -1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.373 -8.351 -2.137 1.00 0.00 H new ATOM 649 N ALA A 43 3.563 -4.995 -2.832 1.00 0.00 N ATOM 650 CA ALA A 43 3.457 -3.679 -2.254 1.00 0.00 C ATOM 651 C ALA A 43 3.223 -3.783 -0.749 1.00 0.00 C ATOM 652 O ALA A 43 2.371 -4.543 -0.289 1.00 0.00 O ATOM 653 CB ALA A 43 2.371 -2.893 -2.993 1.00 0.00 C ATOM 0 H ALA A 43 2.792 -5.610 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 43 4.389 -3.127 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.285 -1.896 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.636 -2.810 -4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.418 -3.413 -2.898 1.00 0.00 H new ATOM 659 N THR A 44 4.014 -3.034 0.018 1.00 0.00 N ATOM 660 CA THR A 44 3.906 -2.888 1.455 1.00 0.00 C ATOM 661 C THR A 44 3.236 -1.548 1.723 1.00 0.00 C ATOM 662 O THR A 44 3.714 -0.539 1.204 1.00 0.00 O ATOM 663 CB THR A 44 5.320 -2.857 2.051 1.00 0.00 C ATOM 664 OG1 THR A 44 6.140 -3.853 1.469 1.00 0.00 O ATOM 665 CG2 THR A 44 5.279 -3.041 3.566 1.00 0.00 C ATOM 0 H THR A 44 4.783 -2.489 -0.372 1.00 0.00 H new ATOM 0 HA THR A 44 3.337 -3.708 1.893 1.00 0.00 H new ATOM 0 HB THR A 44 5.747 -1.879 1.828 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.531 -3.511 0.638 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.294 -3.015 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.693 -2.238 4.014 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.821 -4.001 3.804 1.00 0.00 H new ATOM 673 N ILE A 45 2.187 -1.503 2.543 1.00 0.00 N ATOM 674 CA ILE A 45 1.609 -0.239 2.989 1.00 0.00 C ATOM 675 C ILE A 45 1.637 -0.282 4.515 1.00 0.00 C ATOM 676 O ILE A 45 1.198 -1.282 5.087 1.00 0.00 O ATOM 677 CB ILE A 45 0.185 -0.082 2.426 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.129 -0.226 0.891 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.457 1.241 2.863 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.705 0.948 0.098 1.00 0.00 C ATOM 0 H ILE A 45 1.720 -2.331 2.912 1.00 0.00 H new ATOM 0 HA ILE A 45 2.167 0.626 2.631 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.394 -0.903 2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.667 -1.131 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.910 -0.367 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.461 1.314 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.513 1.276 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.147 2.074 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.616 0.745 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.154 1.857 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.756 1.081 0.356 1.00 0.00 H new ATOM 692 N VAL A 46 2.196 0.750 5.160 1.00 0.00 N ATOM 693 CA VAL A 46 2.356 0.798 6.612 1.00 0.00 C ATOM 694 C VAL A 46 1.591 1.991 7.183 1.00 0.00 C ATOM 695 O VAL A 46 2.004 3.140 7.015 1.00 0.00 O ATOM 696 CB VAL A 46 3.843 0.840 7.007 1.00 0.00 C ATOM 697 CG1 VAL A 46 4.000 0.404 8.466 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.704 -0.023 6.079 1.00 0.00 C ATOM 0 H VAL A 46 2.551 1.578 4.682 1.00 0.00 H new ATOM 0 HA VAL A 46 1.937 -0.113 7.039 1.00 0.00 H new ATOM 0 HB VAL A 46 4.196 1.866 6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.054 0.434 8.743 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.435 1.078 9.110 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.623 -0.612 8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.746 0.034 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.367 -1.058 6.128 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.612 0.340 5.055 1.00 0.00 H new ATOM 708 N TYR A 47 0.470 1.746 7.862 1.00 0.00 N ATOM 709 CA TYR A 47 -0.381 2.837 8.316 1.00 0.00 C ATOM 710 C TYR A 47 -1.040 2.522 9.642 1.00 0.00 C ATOM 711 O TYR A 47 -0.931 1.414 10.165 1.00 0.00 O ATOM 712 CB TYR A 47 -1.428 3.176 7.247 1.00 0.00 C ATOM 713 CG TYR A 47 -2.461 2.097 7.025 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.202 1.072 6.104 1.00 0.00 C ATOM 715 CD2 TYR A 47 -3.679 2.112 7.729 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.206 0.155 5.774 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.649 1.135 7.463 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.434 0.194 6.452 1.00 0.00 C ATOM 719 OH TYR A 47 -5.439 -0.657 6.119 1.00 0.00 O ATOM 0 H TYR A 47 0.136 0.813 8.105 1.00 0.00 H new ATOM 0 HA TYR A 47 0.252 3.711 8.473 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.937 4.097 7.533 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.917 3.373 6.304 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.226 0.990 5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.866 2.873 8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.037 -0.580 5.001 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.562 1.110 8.039 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.125 -0.643 6.819 1.00 0.00 H new ATOM 729 N GLN A 48 -1.717 3.533 10.178 1.00 0.00 N ATOM 730 CA GLN A 48 -2.395 3.490 11.446 1.00 0.00 C ATOM 731 C GLN A 48 -3.887 3.229 11.198 1.00 0.00 C ATOM 732 O GLN A 48 -4.592 4.155 10.789 1.00 0.00 O ATOM 733 CB GLN A 48 -2.134 4.829 12.144 1.00 0.00 C ATOM 734 CG GLN A 48 -2.531 4.713 13.626 1.00 0.00 C ATOM 735 CD GLN A 48 -1.884 5.773 14.512 1.00 0.00 C ATOM 736 OE1 GLN A 48 -0.951 5.489 15.255 1.00 0.00 O ATOM 737 NE2 GLN A 48 -2.395 6.996 14.472 1.00 0.00 N ATOM 0 H GLN A 48 -1.805 4.436 9.713 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.033 2.687 12.089 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.082 5.099 12.057 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.707 5.621 11.663 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.615 4.791 13.711 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.253 3.725 13.993 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.171 7.204 13.844 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.012 7.729 15.069 1.00 0.00 H new ATOM 746 N PRO A 49 -4.393 2.004 11.438 1.00 0.00 N ATOM 747 CA PRO A 49 -5.782 1.655 11.165 1.00 0.00 C ATOM 748 C PRO A 49 -6.768 2.537 11.937 1.00 0.00 C ATOM 749 O PRO A 49 -7.907 2.719 11.516 1.00 0.00 O ATOM 750 CB PRO A 49 -5.935 0.166 11.486 1.00 0.00 C ATOM 751 CG PRO A 49 -4.746 -0.146 12.390 1.00 0.00 C ATOM 752 CD PRO A 49 -3.676 0.850 11.955 1.00 0.00 C ATOM 0 HA PRO A 49 -6.025 1.838 10.118 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.881 -0.038 11.988 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.917 -0.441 10.581 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.002 -0.022 13.442 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.408 -1.175 12.263 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.039 1.130 12.794 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.028 0.419 11.192 1.00 0.00 H new ATOM 760 N HIS A 50 -6.324 3.106 13.062 1.00 0.00 N ATOM 761 CA HIS A 50 -7.095 4.068 13.837 1.00 0.00 C ATOM 762 C HIS A 50 -7.456 5.329 13.036 1.00 0.00 C ATOM 763 O HIS A 50 -8.389 6.028 13.424 1.00 0.00 O ATOM 764 CB HIS A 50 -6.328 4.429 15.123 1.00 0.00 C ATOM 765 CG HIS A 50 -7.087 4.098 16.382 1.00 0.00 C ATOM 766 ND1 HIS A 50 -7.787 4.986 17.168 1.00 0.00 N ATOM 767 CD2 HIS A 50 -7.199 2.859 16.954 1.00 0.00 C ATOM 768 CE1 HIS A 50 -8.303 4.291 18.197 1.00 0.00 C ATOM 769 NE2 HIS A 50 -7.972 2.992 18.111 1.00 0.00 N ATOM 0 H HIS A 50 -5.407 2.905 13.460 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.042 3.597 14.098 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.376 3.899 15.131 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.099 5.495 15.114 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.767 1.943 16.578 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.903 4.720 18.986 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.233 2.250 18.761 1.00 0.00 H new ATOM 777 N LEU A 51 -6.707 5.656 11.972 1.00 0.00 N ATOM 778 CA LEU A 51 -6.924 6.858 11.175 1.00 0.00 C ATOM 779 C LEU A 51 -7.515 6.522 9.804 1.00 0.00 C ATOM 780 O LEU A 51 -8.630 6.942 9.503 1.00 0.00 O ATOM 781 CB LEU A 51 -5.631 7.667 11.069 1.00 0.00 C ATOM 782 CG LEU A 51 -5.190 8.253 12.426 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.801 8.891 12.300 1.00 0.00 C ATOM 784 CD2 LEU A 51 -6.147 9.334 12.949 1.00 0.00 C ATOM 0 H LEU A 51 -5.929 5.084 11.643 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.661 7.481 11.682 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.838 7.030 10.677 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.771 8.478 10.354 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.186 7.418 13.127 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.500 9.301 13.264 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.081 8.135 11.987 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.834 9.690 11.560 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.785 9.708 13.906 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.195 10.155 12.233 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.142 8.907 13.079 1.00 0.00 H new ATOM 796 N ILE A 52 -6.765 5.805 8.962 1.00 0.00 N ATOM 797 CA ILE A 52 -7.137 5.481 7.598 1.00 0.00 C ATOM 798 C ILE A 52 -7.278 3.960 7.487 1.00 0.00 C ATOM 799 O ILE A 52 -6.784 3.251 8.358 1.00 0.00 O ATOM 800 CB ILE A 52 -6.068 6.098 6.676 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.697 6.662 5.412 1.00 0.00 C ATOM 802 CG2 ILE A 52 -4.953 5.116 6.293 1.00 0.00 C ATOM 803 CD1 ILE A 52 -7.514 7.941 5.640 1.00 0.00 C ATOM 0 H ILE A 52 -5.856 5.426 9.227 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.099 5.895 7.296 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.611 6.901 7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.909 6.870 4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.344 5.904 4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.235 5.616 5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.447 4.770 7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.384 4.263 5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.930 8.281 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.325 7.735 6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.868 8.717 6.052 1.00 0.00 H new ATOM 815 N SER A 53 -7.966 3.451 6.461 1.00 0.00 N ATOM 816 CA SER A 53 -8.372 2.051 6.378 1.00 0.00 C ATOM 817 C SER A 53 -7.945 1.408 5.055 1.00 0.00 C ATOM 818 O SER A 53 -7.625 2.108 4.090 1.00 0.00 O ATOM 819 CB SER A 53 -9.894 2.004 6.537 1.00 0.00 C ATOM 820 OG SER A 53 -10.495 2.767 5.505 1.00 0.00 O ATOM 0 H SER A 53 -8.258 4.008 5.658 1.00 0.00 H new ATOM 0 HA SER A 53 -7.881 1.481 7.167 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.244 0.973 6.494 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.182 2.398 7.512 1.00 0.00 H new ATOM 0 HG SER A 53 -11.470 2.738 5.602 1.00 0.00 H new ATOM 826 N VAL A 54 -7.998 0.066 5.003 1.00 0.00 N ATOM 827 CA VAL A 54 -7.709 -0.720 3.806 1.00 0.00 C ATOM 828 C VAL A 54 -8.426 -0.128 2.602 1.00 0.00 C ATOM 829 O VAL A 54 -7.843 -0.030 1.531 1.00 0.00 O ATOM 830 CB VAL A 54 -8.113 -2.199 3.963 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.963 -2.942 2.625 1.00 0.00 C ATOM 832 CG2 VAL A 54 -7.233 -2.952 4.961 1.00 0.00 C ATOM 0 H VAL A 54 -8.248 -0.507 5.809 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.630 -0.682 3.656 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.144 -2.181 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.252 -3.985 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.605 -2.477 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.925 -2.891 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.565 -3.988 5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.196 -2.925 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.309 -2.481 5.941 1.00 0.00 H new ATOM 842 N GLU A 55 -9.699 0.233 2.762 1.00 0.00 N ATOM 843 CA GLU A 55 -10.484 0.725 1.650 1.00 0.00 C ATOM 844 C GLU A 55 -9.870 1.994 1.061 1.00 0.00 C ATOM 845 O GLU A 55 -9.885 2.138 -0.149 1.00 0.00 O ATOM 846 CB GLU A 55 -11.935 0.930 2.081 1.00 0.00 C ATOM 847 CG GLU A 55 -12.915 1.115 0.931 1.00 0.00 C ATOM 848 CD GLU A 55 -13.071 -0.132 0.074 1.00 0.00 C ATOM 849 OE1 GLU A 55 -13.140 -1.257 0.608 1.00 0.00 O ATOM 850 OE2 GLU A 55 -13.073 0.003 -1.172 1.00 0.00 O ATOM 0 H GLU A 55 -10.199 0.191 3.650 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.477 -0.021 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.249 0.072 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.988 1.804 2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.888 1.397 1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.578 1.940 0.304 1.00 0.00 H new ATOM 857 N GLU A 56 -9.321 2.906 1.865 1.00 0.00 N ATOM 858 CA GLU A 56 -8.743 4.133 1.346 1.00 0.00 C ATOM 859 C GLU A 56 -7.499 3.753 0.554 1.00 0.00 C ATOM 860 O GLU A 56 -7.396 4.070 -0.627 1.00 0.00 O ATOM 861 CB GLU A 56 -8.449 5.111 2.494 1.00 0.00 C ATOM 862 CG GLU A 56 -9.155 6.451 2.255 1.00 0.00 C ATOM 863 CD GLU A 56 -8.544 7.196 1.071 1.00 0.00 C ATOM 864 OE1 GLU A 56 -7.413 7.694 1.249 1.00 0.00 O ATOM 865 OE2 GLU A 56 -9.199 7.225 0.006 1.00 0.00 O ATOM 0 H GLU A 56 -9.268 2.812 2.879 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.435 4.652 0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.782 4.682 3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.374 5.270 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.215 6.278 2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.084 7.067 3.151 1.00 0.00 H new ATOM 872 N MET A 57 -6.589 3.005 1.189 1.00 0.00 N ATOM 873 CA MET A 57 -5.428 2.455 0.529 1.00 0.00 C ATOM 874 C MET A 57 -5.791 1.826 -0.825 1.00 0.00 C ATOM 875 O MET A 57 -5.300 2.244 -1.868 1.00 0.00 O ATOM 876 CB MET A 57 -4.740 1.472 1.457 1.00 0.00 C ATOM 877 CG MET A 57 -4.332 2.050 2.816 1.00 0.00 C ATOM 878 SD MET A 57 -3.188 3.460 2.903 1.00 0.00 S ATOM 879 CE MET A 57 -4.300 4.875 2.727 1.00 0.00 C ATOM 0 H MET A 57 -6.649 2.771 2.180 1.00 0.00 H new ATOM 0 HA MET A 57 -4.729 3.261 0.306 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.405 0.624 1.623 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.850 1.086 0.960 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.247 2.344 3.330 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.889 1.238 3.393 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.840 5.757 3.173 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.489 5.060 1.670 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.242 4.663 3.233 1.00 0.00 H new ATOM 889 N LYS A 58 -6.670 0.825 -0.824 1.00 0.00 N ATOM 890 CA LYS A 58 -7.060 0.114 -2.028 1.00 0.00 C ATOM 891 C LYS A 58 -7.775 1.010 -3.018 1.00 0.00 C ATOM 892 O LYS A 58 -7.344 1.053 -4.157 1.00 0.00 O ATOM 893 CB LYS A 58 -7.797 -1.184 -1.699 1.00 0.00 C ATOM 894 CG LYS A 58 -8.642 -1.805 -2.821 1.00 0.00 C ATOM 895 CD LYS A 58 -10.153 -1.616 -2.632 1.00 0.00 C ATOM 896 CE LYS A 58 -10.711 -2.545 -1.543 1.00 0.00 C ATOM 897 NZ LYS A 58 -12.184 -2.497 -1.503 1.00 0.00 N ATOM 0 H LYS A 58 -7.131 0.487 0.021 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.152 -0.194 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.060 -1.922 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.450 -0.997 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.346 -1.364 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.423 -2.871 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.359 -0.579 -2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.665 -1.812 -3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.383 -3.567 -1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.309 -2.254 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.508 -2.595 -0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.512 -1.588 -1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.572 -3.274 -2.075 1.00 0.00 H new ATOM 911 N LYS A 59 -8.840 1.718 -2.648 1.00 0.00 N ATOM 912 CA LYS A 59 -9.519 2.601 -3.565 1.00 0.00 C ATOM 913 C LYS A 59 -8.495 3.515 -4.233 1.00 0.00 C ATOM 914 O LYS A 59 -8.488 3.623 -5.453 1.00 0.00 O ATOM 915 CB LYS A 59 -10.597 3.393 -2.823 1.00 0.00 C ATOM 916 CG LYS A 59 -11.742 3.767 -3.760 1.00 0.00 C ATOM 917 CD LYS A 59 -12.838 2.689 -3.767 1.00 0.00 C ATOM 918 CE LYS A 59 -13.792 2.875 -2.573 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.653 1.697 -2.362 1.00 0.00 N ATOM 0 H LYS A 59 -9.245 1.690 -1.712 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.018 2.025 -4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.981 2.801 -1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.161 4.297 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.170 4.721 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.357 3.903 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.400 2.741 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.382 1.700 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.210 3.064 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.415 3.753 -2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.314 1.885 -1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.190 1.500 -3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.063 0.874 -2.126 1.00 0.00 H new ATOM 933 N GLN A 60 -7.591 4.113 -3.450 1.00 0.00 N ATOM 934 CA GLN A 60 -6.545 4.952 -4.025 1.00 0.00 C ATOM 935 C GLN A 60 -5.663 4.167 -5.007 1.00 0.00 C ATOM 936 O GLN A 60 -5.396 4.638 -6.109 1.00 0.00 O ATOM 937 CB GLN A 60 -5.699 5.557 -2.908 1.00 0.00 C ATOM 938 CG GLN A 60 -6.466 6.628 -2.119 1.00 0.00 C ATOM 939 CD GLN A 60 -6.598 7.922 -2.915 1.00 0.00 C ATOM 940 OE1 GLN A 60 -5.604 8.570 -3.235 1.00 0.00 O ATOM 941 NE2 GLN A 60 -7.820 8.296 -3.281 1.00 0.00 N ATOM 0 H GLN A 60 -7.565 4.032 -2.434 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.023 5.753 -4.590 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.378 4.767 -2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.798 5.997 -3.334 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.458 6.253 -1.865 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.950 6.828 -1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.628 7.740 -3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.949 9.139 -3.841 1.00 0.00 H new ATOM 950 N ILE A 61 -5.181 2.989 -4.606 1.00 0.00 N ATOM 951 CA ILE A 61 -4.281 2.182 -5.421 1.00 0.00 C ATOM 952 C ILE A 61 -5.019 1.609 -6.629 1.00 0.00 C ATOM 953 O ILE A 61 -4.687 1.956 -7.762 1.00 0.00 O ATOM 954 CB ILE A 61 -3.587 1.119 -4.558 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.677 1.884 -3.581 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.773 0.149 -5.430 1.00 0.00 C ATOM 957 CD1 ILE A 61 -1.943 0.964 -2.614 1.00 0.00 C ATOM 0 H ILE A 61 -5.407 2.570 -3.704 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.488 2.811 -5.825 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.315 0.511 -4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.948 2.463 -4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.277 2.595 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.291 -0.594 -4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.437 -0.352 -6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.013 0.704 -5.980 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.317 1.559 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.668 0.404 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.318 0.270 -3.176 1.00 0.00 H new ATOM 969 N GLU A 62 -6.017 0.748 -6.412 1.00 0.00 N ATOM 970 CA GLU A 62 -6.844 0.220 -7.477 1.00 0.00 C ATOM 971 C GLU A 62 -7.346 1.319 -8.425 1.00 0.00 C ATOM 972 O GLU A 62 -7.401 1.079 -9.628 1.00 0.00 O ATOM 973 CB GLU A 62 -7.997 -0.587 -6.862 1.00 0.00 C ATOM 974 CG GLU A 62 -8.008 -2.033 -7.359 1.00 0.00 C ATOM 975 CD GLU A 62 -9.221 -2.804 -6.849 1.00 0.00 C ATOM 976 OE1 GLU A 62 -9.600 -2.567 -5.680 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.750 -3.617 -7.634 1.00 0.00 O ATOM 0 H GLU A 62 -6.267 0.402 -5.486 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.239 -0.442 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.908 -0.577 -5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.946 -0.111 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.005 -2.042 -8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.097 -2.535 -7.034 1.00 0.00 H new ATOM 984 N ALA A 63 -7.674 2.526 -7.932 1.00 0.00 N ATOM 985 CA ALA A 63 -8.100 3.612 -8.817 1.00 0.00 C ATOM 986 C ALA A 63 -7.082 3.918 -9.920 1.00 0.00 C ATOM 987 O ALA A 63 -7.478 4.308 -11.017 1.00 0.00 O ATOM 988 CB ALA A 63 -8.386 4.892 -8.034 1.00 0.00 C ATOM 0 H ALA A 63 -7.652 2.767 -6.941 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.016 3.259 -9.290 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.700 5.677 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.179 4.706 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.484 5.208 -7.511 1.00 0.00 H new ATOM 994 N MET A 64 -5.783 3.756 -9.650 1.00 0.00 N ATOM 995 CA MET A 64 -4.761 3.927 -10.667 1.00 0.00 C ATOM 996 C MET A 64 -4.959 2.928 -11.815 1.00 0.00 C ATOM 997 O MET A 64 -4.615 3.226 -12.958 1.00 0.00 O ATOM 998 CB MET A 64 -3.374 3.776 -10.036 1.00 0.00 C ATOM 999 CG MET A 64 -3.118 4.707 -8.842 1.00 0.00 C ATOM 1000 SD MET A 64 -3.541 6.456 -9.017 1.00 0.00 S ATOM 1001 CE MET A 64 -2.916 7.057 -7.429 1.00 0.00 C ATOM 0 H MET A 64 -5.421 3.506 -8.730 1.00 0.00 H new ATOM 0 HA MET A 64 -4.845 4.929 -11.088 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.246 2.744 -9.711 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.618 3.966 -10.798 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.671 4.314 -7.989 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.059 4.644 -8.592 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.317 8.052 -7.233 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.227 6.378 -6.635 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.827 7.104 -7.461 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.511 1.749 -11.509 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.860 0.705 -12.465 1.00 0.00 C ATOM 1013 C GLY A 65 -5.194 -0.616 -12.089 1.00 0.00 C ATOM 1014 O GLY A 65 -5.512 -1.664 -12.645 1.00 0.00 O ATOM 0 H GLY A 65 -5.734 1.490 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.942 0.577 -12.493 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.549 1.003 -13.466 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.238 -0.562 -11.162 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.375 -1.672 -10.811 1.00 0.00 C ATOM 1020 C PHE A 66 -4.098 -2.589 -9.820 1.00 0.00 C ATOM 1021 O PHE A 66 -4.392 -2.143 -8.712 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.112 -1.075 -10.184 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.381 -0.028 -11.014 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -1.530 0.046 -12.415 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -0.632 0.959 -10.350 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -1.054 1.166 -13.117 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.153 2.079 -11.052 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.392 2.196 -12.430 1.00 0.00 C ATOM 0 H PHE A 66 -4.043 0.282 -10.624 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.115 -2.270 -11.685 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.383 -0.627 -9.228 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.418 -1.888 -9.970 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.011 -0.760 -12.949 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.423 0.856 -9.295 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.197 1.235 -14.185 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.398 2.848 -10.532 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.067 3.078 -12.962 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.393 -3.852 -10.173 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.048 -4.765 -9.255 1.00 0.00 C ATOM 1040 C PRO A 67 -4.085 -5.087 -8.111 1.00 0.00 C ATOM 1041 O PRO A 67 -2.875 -5.181 -8.334 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.386 -6.004 -10.088 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.276 -6.023 -11.136 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.019 -4.538 -11.401 1.00 0.00 C ATOM 0 HA PRO A 67 -5.952 -4.355 -8.804 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.386 -6.910 -9.483 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.372 -5.927 -10.545 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.383 -6.527 -10.767 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.586 -6.546 -12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.972 -4.359 -11.647 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.610 -4.182 -12.245 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.614 -5.245 -6.891 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.812 -5.529 -5.713 1.00 0.00 C ATOM 1054 C ALA A 68 -4.504 -6.545 -4.806 1.00 0.00 C ATOM 1055 O ALA A 68 -5.718 -6.476 -4.626 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.538 -4.238 -4.944 1.00 0.00 C ATOM 0 H ALA A 68 -5.614 -5.178 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.866 -5.959 -6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.936 -4.460 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.999 -3.540 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.483 -3.791 -4.635 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.739 -7.466 -4.210 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.258 -8.514 -3.340 1.00 0.00 C ATOM 1064 C PHE A 69 -3.755 -8.318 -1.912 1.00 0.00 C ATOM 1065 O PHE A 69 -2.839 -9.024 -1.486 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.836 -9.879 -3.872 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.647 -10.431 -5.023 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -5.911 -10.998 -4.770 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -4.104 -10.474 -6.321 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -6.623 -11.619 -5.809 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -4.819 -11.097 -7.359 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.074 -11.676 -7.101 1.00 0.00 C ATOM 0 H PHE A 69 -2.726 -7.500 -4.324 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.347 -8.460 -3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.794 -9.816 -4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.878 -10.594 -3.050 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.333 -10.955 -3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.140 -10.029 -6.519 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.593 -12.053 -5.615 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.404 -11.131 -8.355 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.616 -12.165 -7.897 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.367 -7.384 -1.178 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.149 -7.161 0.250 1.00 0.00 C ATOM 1084 C VAL A 70 -4.524 -8.401 1.068 1.00 0.00 C ATOM 1085 O VAL A 70 -5.703 -8.682 1.257 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.810 -5.850 0.695 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.324 -5.854 0.555 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.401 -5.458 2.119 1.00 0.00 C ATOM 0 H VAL A 70 -5.051 -6.741 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.086 -7.023 0.447 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.435 -5.093 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.723 -4.896 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.592 -6.016 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.744 -6.653 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.891 -4.524 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.701 -6.243 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.320 -5.327 2.164 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.529 -9.174 1.528 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.772 -10.386 2.295 1.00 0.00 C ATOM 1100 C LYS A 71 -2.583 -10.751 3.192 1.00 0.00 C ATOM 1101 O LYS A 71 -2.038 -11.852 3.116 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.272 -11.501 1.377 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.234 -11.895 0.340 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.896 -12.628 -0.840 1.00 0.00 C ATOM 1105 CE LYS A 71 -2.853 -13.188 -1.821 1.00 0.00 C ATOM 1106 NZ LYS A 71 -3.447 -13.622 -3.109 1.00 0.00 N ATOM 0 H LYS A 71 -2.541 -8.971 1.375 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.579 -10.210 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.535 -12.373 1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.182 -11.175 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.718 -11.006 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.481 -12.537 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.514 -13.443 -0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.560 -11.943 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.097 -12.427 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.344 -14.033 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.698 -13.990 -3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.149 -14.369 -2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.910 -12.812 -3.568 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.185 -9.828 4.071 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.183 -10.062 5.100 1.00 0.00 C ATOM 1122 C LYS A 72 -1.375 -9.012 6.191 1.00 0.00 C ATOM 1123 O LYS A 72 -1.944 -7.962 5.905 1.00 0.00 O ATOM 1124 CB LYS A 72 0.213 -9.951 4.472 1.00 0.00 C ATOM 1125 CG LYS A 72 1.341 -10.599 5.287 1.00 0.00 C ATOM 1126 CD LYS A 72 1.904 -11.874 4.642 1.00 0.00 C ATOM 1127 CE LYS A 72 0.811 -12.929 4.402 1.00 0.00 C ATOM 1128 NZ LYS A 72 1.354 -14.301 4.351 1.00 0.00 N ATOM 0 H LYS A 72 -2.561 -8.880 4.083 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.286 -11.057 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.189 -10.410 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.448 -8.896 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.148 -9.878 5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.968 -10.838 6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.379 -11.621 3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.678 -12.294 5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.067 -12.865 5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.297 -12.710 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.579 -14.975 4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.044 -14.373 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.821 -14.523 5.253 1.00 0.00 H new ATOM 1142 N ILE A 73 -0.891 -9.285 7.407 1.00 0.00 N ATOM 1143 CA ILE A 73 -0.986 -8.377 8.541 1.00 0.00 C ATOM 1144 C ILE A 73 0.171 -8.640 9.515 1.00 0.00 C ATOM 1145 O ILE A 73 -0.017 -9.072 10.649 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.396 -8.459 9.157 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -2.534 -7.507 10.355 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.832 -9.886 9.528 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.951 -6.942 10.423 1.00 0.00 C ATOM 0 H ILE A 73 -0.415 -10.160 7.628 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.868 -7.339 8.229 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.080 -8.137 8.372 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.302 -8.038 11.278 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.815 -6.693 10.266 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.834 -9.861 9.955 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.834 -10.510 8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.137 -10.301 10.258 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.034 -6.269 11.277 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.168 -6.394 9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.664 -7.759 10.535 1.00 0.00 H new