USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 875 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 82 GLN : amide:sc= 0.851 X(o=1.6,f=1.7) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.752 USER MOD Set 2.1: A 29 SER OG : rot -139:sc= -0.155 USER MOD Set 2.2: A 52 HIS : no HD1:sc= 0.543 K(o=0.39,f=-1.1) USER MOD Set 3.1: A 1 MET N :NH3+ -173:sc= 0.264 (180deg=-0.504) USER MOD Set 3.2: A 60 ASN : amide:sc= 1.05 K(o=1.3,f=-15!) USER MOD Single : A 1 MET CE :methyl -130:sc= -0.958 (180deg=-1.36) USER MOD Single : A 6 TYR OH : rot 165:sc= 0.57 USER MOD Single : A 8 SER OG : rot 75:sc= 0.987 USER MOD Single : A 11 HIS : no HD1:sc= -0.355 K(o=-0.35,f=-0.94) USER MOD Single : A 12 LYS NZ :NH3+ 150:sc= 0.565 (180deg=-0.156) USER MOD Single : A 13 GLN : amide:sc= -2.96 K(o=-3,f=-2) USER MOD Single : A 15 ASN : amide:sc= -0.959 K(o=-0.96,f=-0.0036) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 19 MET CE :methyl -148:sc= -0.0724 (180deg=-0.702) USER MOD Single : A 20 THR OG1 : rot 121:sc= 0.0535 USER MOD Single : A 21 ASN : amide:sc= -2.71! K(o=-2.7!,f=-0.32) USER MOD Single : A 23 GLN : amide:sc= 0.45 K(o=0.45,f=-4.3!) USER MOD Single : A 32 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.0048) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 36 TYR OH : rot 100:sc= -0.106 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 40 HIS : no HD1:sc=-0.00695 X(o=-0.007,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.436 K(o=-0.44,f=-3.5!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 20:sc= -0.876! USER MOD Single : A 62 THR OG1 : rot 34:sc= -0.995 USER MOD Single : A 71 THR OG1 : rot -130:sc= 0.231 USER MOD Single : A 76 TYR OH : rot -110:sc= 0.0853 USER MOD Single : A 79 GLN : amide:sc= -0.685 K(o=-0.69,f=0) USER MOD Single : A 83 THR OG1 : rot -85:sc= 1.49 USER MOD Single : A 85 TYR OH : rot -137:sc= 1.14 USER MOD Single : A 90 MET CE :methyl -177:sc= -0.347 (180deg=-0.386) USER MOD Single : A 91 TYR OH : rot 2:sc= 0.786 USER MOD Single : A 93 TYR OH : rot 180:sc= 0.958 USER MOD Single : A 94 GLN : amide:sc= -4.58! K(o=-4.6!,f=-2) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -153:sc= 1.27 USER MOD Single : A 113 LYS NZ :NH3+ 164:sc= -0.0391 (180deg=-0.284) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.893 2.367 -12.860 1.00 0.00 N ATOM 2 CA MET A 1 5.259 2.689 -11.472 1.00 0.00 C ATOM 3 C MET A 1 4.774 1.568 -10.562 1.00 0.00 C ATOM 4 O MET A 1 4.097 0.652 -11.026 1.00 0.00 O ATOM 5 CB MET A 1 4.653 4.034 -11.066 1.00 0.00 C ATOM 6 CG MET A 1 5.367 4.697 -9.898 1.00 0.00 C ATOM 7 SD MET A 1 4.811 6.388 -9.607 1.00 0.00 S ATOM 8 CE MET A 1 5.214 7.162 -11.171 1.00 0.00 C ATOM 0 H1 MET A 1 5.321 3.064 -13.502 1.00 0.00 H new ATOM 0 H2 MET A 1 5.241 1.416 -13.099 1.00 0.00 H new ATOM 0 H3 MET A 1 3.858 2.393 -12.961 1.00 0.00 H new ATOM 0 HA MET A 1 6.342 2.774 -11.381 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.675 4.707 -11.923 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.605 3.886 -10.804 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.205 4.106 -8.997 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.440 4.700 -10.089 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.772 8.081 -10.989 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.821 6.481 -11.768 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.295 7.396 -11.709 1.00 0.00 H new ATOM 20 N ARG A 2 5.120 1.614 -9.286 1.00 0.00 N ATOM 21 CA ARG A 2 4.741 0.560 -8.372 1.00 0.00 C ATOM 22 C ARG A 2 3.893 1.101 -7.231 1.00 0.00 C ATOM 23 O ARG A 2 4.088 2.231 -6.784 1.00 0.00 O ATOM 24 CB ARG A 2 5.991 -0.097 -7.801 1.00 0.00 C ATOM 25 CG ARG A 2 6.858 -0.802 -8.829 1.00 0.00 C ATOM 26 CD ARG A 2 8.201 -1.190 -8.230 1.00 0.00 C ATOM 27 NE ARG A 2 9.092 -1.804 -9.212 1.00 0.00 N ATOM 28 CZ ARG A 2 9.894 -1.117 -10.030 1.00 0.00 C ATOM 29 NH1 ARG A 2 9.902 0.212 -10.004 1.00 0.00 N ATOM 30 NH2 ARG A 2 10.696 -1.758 -10.868 1.00 0.00 N ATOM 0 H ARG A 2 5.661 2.369 -8.865 1.00 0.00 H new ATOM 0 HA ARG A 2 4.152 -0.172 -8.924 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.590 0.664 -7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.692 -0.818 -7.041 1.00 0.00 H new ATOM 0 HG2 ARG A 2 6.346 -1.693 -9.193 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.013 -0.150 -9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.680 -0.304 -7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.041 -1.884 -7.405 1.00 0.00 H new ATOM 0 HE ARG A 2 9.102 -2.822 -9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.293 0.713 -9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.517 0.731 -10.631 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.702 -2.778 -10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.308 -1.232 -11.492 1.00 0.00 H new ATOM 44 N ILE A 3 2.967 0.284 -6.757 1.00 0.00 N ATOM 45 CA ILE A 3 2.119 0.660 -5.640 1.00 0.00 C ATOM 46 C ILE A 3 1.867 -0.544 -4.738 1.00 0.00 C ATOM 47 O ILE A 3 1.702 -1.671 -5.215 1.00 0.00 O ATOM 48 CB ILE A 3 0.775 1.261 -6.125 1.00 0.00 C ATOM 49 CG1 ILE A 3 -0.124 1.614 -4.933 1.00 0.00 C ATOM 50 CG2 ILE A 3 0.068 0.302 -7.076 1.00 0.00 C ATOM 51 CD1 ILE A 3 -1.423 2.287 -5.325 1.00 0.00 C ATOM 0 H ILE A 3 2.784 -0.647 -7.131 1.00 0.00 H new ATOM 0 HA ILE A 3 2.640 1.428 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 3 0.989 2.181 -6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.350 0.703 -4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.425 2.270 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.873 0.743 -7.404 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.703 0.115 -7.942 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.132 -0.638 -6.562 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.004 2.506 -4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.207 3.216 -5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.994 1.625 -5.975 1.00 0.00 H new ATOM 63 N PHE A 4 1.877 -0.306 -3.435 1.00 0.00 N ATOM 64 CA PHE A 4 1.603 -1.351 -2.467 1.00 0.00 C ATOM 65 C PHE A 4 0.105 -1.423 -2.218 1.00 0.00 C ATOM 66 O PHE A 4 -0.488 -0.486 -1.683 1.00 0.00 O ATOM 67 CB PHE A 4 2.354 -1.076 -1.159 1.00 0.00 C ATOM 68 CG PHE A 4 2.141 -2.120 -0.097 1.00 0.00 C ATOM 69 CD1 PHE A 4 1.068 -2.030 0.773 1.00 0.00 C ATOM 70 CD2 PHE A 4 3.014 -3.189 0.031 1.00 0.00 C ATOM 71 CE1 PHE A 4 0.863 -2.983 1.747 1.00 0.00 C ATOM 72 CE2 PHE A 4 2.815 -4.148 1.007 1.00 0.00 C ATOM 73 CZ PHE A 4 1.737 -4.044 1.865 1.00 0.00 C ATOM 0 H PHE A 4 2.073 0.607 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 4 1.947 -2.308 -2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.420 -1.003 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.040 -0.108 -0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.381 -1.201 0.687 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.858 -3.274 -0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.020 -2.900 2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.501 -4.977 1.099 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.579 -4.793 2.627 1.00 0.00 H new ATOM 83 N VAL A 5 -0.504 -2.524 -2.618 1.00 0.00 N ATOM 84 CA VAL A 5 -1.932 -2.698 -2.456 1.00 0.00 C ATOM 85 C VAL A 5 -2.240 -3.384 -1.131 1.00 0.00 C ATOM 86 O VAL A 5 -1.592 -4.360 -0.752 1.00 0.00 O ATOM 87 CB VAL A 5 -2.541 -3.501 -3.624 1.00 0.00 C ATOM 88 CG1 VAL A 5 -4.015 -3.776 -3.379 1.00 0.00 C ATOM 89 CG2 VAL A 5 -2.342 -2.752 -4.935 1.00 0.00 C ATOM 0 H VAL A 5 -0.029 -3.312 -3.058 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.386 -1.707 -2.457 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.028 -4.460 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.423 -4.343 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.130 -4.351 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.551 -2.831 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.776 -3.328 -5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.831 -1.780 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.276 -2.611 -5.116 1.00 0.00 H new ATOM 99 N TYR A 6 -3.215 -2.839 -0.422 1.00 0.00 N ATOM 100 CA TYR A 6 -3.602 -3.349 0.882 1.00 0.00 C ATOM 101 C TYR A 6 -4.815 -4.254 0.731 1.00 0.00 C ATOM 102 O TYR A 6 -4.680 -5.469 0.656 1.00 0.00 O ATOM 103 CB TYR A 6 -3.909 -2.178 1.823 1.00 0.00 C ATOM 104 CG TYR A 6 -3.116 -0.938 1.475 1.00 0.00 C ATOM 105 CD1 TYR A 6 -1.848 -0.730 1.997 1.00 0.00 C ATOM 106 CD2 TYR A 6 -3.623 0.003 0.586 1.00 0.00 C ATOM 107 CE1 TYR A 6 -1.106 0.377 1.637 1.00 0.00 C ATOM 108 CE2 TYR A 6 -2.892 1.115 0.232 1.00 0.00 C ATOM 109 CZ TYR A 6 -1.633 1.294 0.756 1.00 0.00 C ATOM 110 OH TYR A 6 -0.891 2.385 0.379 1.00 0.00 O ATOM 0 H TYR A 6 -3.758 -2.034 -0.733 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.785 -3.930 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.974 -1.950 1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.688 -2.472 2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.436 -1.444 2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.607 -0.141 0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.117 0.523 2.045 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.304 1.842 -0.452 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.295 2.798 -0.413 1.00 0.00 H new ATOM 120 N GLY A 7 -5.998 -3.660 0.653 1.00 0.00 N ATOM 121 CA GLY A 7 -7.189 -4.441 0.390 1.00 0.00 C ATOM 122 C GLY A 7 -7.101 -5.116 -0.962 1.00 0.00 C ATOM 123 O GLY A 7 -6.800 -4.452 -1.952 1.00 0.00 O ATOM 0 H GLY A 7 -6.154 -2.658 0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.316 -5.193 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.067 -3.796 0.423 1.00 0.00 H new ATOM 127 N SER A 8 -7.346 -6.426 -0.989 1.00 0.00 N ATOM 128 CA SER A 8 -7.182 -7.233 -2.198 1.00 0.00 C ATOM 129 C SER A 8 -7.790 -6.566 -3.430 1.00 0.00 C ATOM 130 O SER A 8 -9.010 -6.461 -3.569 1.00 0.00 O ATOM 131 CB SER A 8 -7.788 -8.619 -1.997 1.00 0.00 C ATOM 132 OG SER A 8 -7.056 -9.350 -1.030 1.00 0.00 O ATOM 0 H SER A 8 -7.662 -6.956 -0.177 1.00 0.00 H new ATOM 0 HA SER A 8 -6.111 -7.328 -2.377 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.826 -8.525 -1.679 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.792 -9.160 -2.943 1.00 0.00 H new ATOM 0 HG SER A 8 -7.270 -9.013 -0.135 1.00 0.00 H new ATOM 138 N LEU A 9 -6.920 -6.132 -4.328 1.00 0.00 N ATOM 139 CA LEU A 9 -7.328 -5.420 -5.526 1.00 0.00 C ATOM 140 C LEU A 9 -7.415 -6.393 -6.693 1.00 0.00 C ATOM 141 O LEU A 9 -7.565 -6.005 -7.852 1.00 0.00 O ATOM 142 CB LEU A 9 -6.317 -4.321 -5.822 1.00 0.00 C ATOM 143 CG LEU A 9 -6.707 -3.337 -6.915 1.00 0.00 C ATOM 144 CD1 LEU A 9 -7.872 -2.462 -6.469 1.00 0.00 C ATOM 145 CD2 LEU A 9 -5.504 -2.495 -7.287 1.00 0.00 C ATOM 0 H LEU A 9 -5.912 -6.264 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.309 -4.969 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.138 -3.762 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.372 -4.788 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.035 -3.892 -7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.132 -1.767 -7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.733 -3.091 -6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.586 -1.901 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.782 -1.789 -8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.159 -1.947 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.705 -3.142 -7.649 1.00 0.00 H new ATOM 157 N ARG A 10 -7.348 -7.669 -6.348 1.00 0.00 N ATOM 158 CA ARG A 10 -7.369 -8.772 -7.310 1.00 0.00 C ATOM 159 C ARG A 10 -8.718 -8.882 -8.030 1.00 0.00 C ATOM 160 O ARG A 10 -8.961 -9.829 -8.778 1.00 0.00 O ATOM 161 CB ARG A 10 -7.025 -10.079 -6.592 1.00 0.00 C ATOM 162 CG ARG A 10 -5.768 -9.949 -5.752 1.00 0.00 C ATOM 163 CD ARG A 10 -5.356 -11.245 -5.080 1.00 0.00 C ATOM 164 NE ARG A 10 -4.294 -11.003 -4.106 1.00 0.00 N ATOM 165 CZ ARG A 10 -3.159 -11.693 -4.019 1.00 0.00 C ATOM 166 NH1 ARG A 10 -2.928 -12.716 -4.836 1.00 0.00 N ATOM 167 NH2 ARG A 10 -2.254 -11.344 -3.113 1.00 0.00 N ATOM 0 H ARG A 10 -7.276 -7.978 -5.378 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.621 -8.571 -8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.859 -10.373 -5.955 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.890 -10.872 -7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.952 -9.601 -6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.927 -9.187 -4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.217 -11.694 -4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.013 -11.957 -5.830 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.434 -10.244 -3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.623 -12.977 -5.536 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.056 -13.240 -4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.432 -10.554 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.381 -11.866 -3.037 1.00 0.00 H new ATOM 181 N HIS A 11 -9.589 -7.907 -7.794 1.00 0.00 N ATOM 182 CA HIS A 11 -10.806 -7.751 -8.579 1.00 0.00 C ATOM 183 C HIS A 11 -10.432 -7.197 -9.958 1.00 0.00 C ATOM 184 O HIS A 11 -11.240 -7.197 -10.883 1.00 0.00 O ATOM 185 CB HIS A 11 -11.785 -6.811 -7.852 1.00 0.00 C ATOM 186 CG HIS A 11 -13.104 -6.609 -8.548 1.00 0.00 C ATOM 187 ND1 HIS A 11 -13.848 -5.456 -8.425 1.00 0.00 N ATOM 188 CD2 HIS A 11 -13.811 -7.418 -9.374 1.00 0.00 C ATOM 189 CE1 HIS A 11 -14.948 -5.563 -9.144 1.00 0.00 C ATOM 190 NE2 HIS A 11 -14.949 -6.743 -9.731 1.00 0.00 N ATOM 0 H HIS A 11 -9.472 -7.209 -7.060 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.300 -8.715 -8.703 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -11.974 -7.208 -6.855 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -11.306 -5.840 -7.723 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.530 -8.411 -9.692 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.718 -4.811 -9.236 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.678 -7.096 -10.350 1.00 0.00 H new ATOM 199 N LYS A 12 -9.191 -6.708 -10.055 1.00 0.00 N ATOM 200 CA LYS A 12 -8.592 -6.247 -11.313 1.00 0.00 C ATOM 201 C LYS A 12 -9.194 -4.914 -11.757 1.00 0.00 C ATOM 202 O LYS A 12 -8.911 -4.424 -12.851 1.00 0.00 O ATOM 203 CB LYS A 12 -8.734 -7.316 -12.405 1.00 0.00 C ATOM 204 CG LYS A 12 -7.492 -7.464 -13.272 1.00 0.00 C ATOM 205 CD LYS A 12 -7.571 -8.695 -14.159 1.00 0.00 C ATOM 206 CE LYS A 12 -6.296 -8.890 -14.968 1.00 0.00 C ATOM 207 NZ LYS A 12 -5.091 -9.014 -14.099 1.00 0.00 N ATOM 0 H LYS A 12 -8.567 -6.620 -9.253 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.528 -6.082 -11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.958 -8.275 -11.937 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.584 -7.065 -13.040 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.373 -6.575 -13.892 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.609 -7.530 -12.636 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.749 -9.576 -13.543 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.420 -8.602 -14.836 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.392 -9.784 -15.584 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.167 -8.048 -15.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.385 -9.617 -14.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.685 -8.071 -13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.361 -9.440 -13.190 1.00 0.00 H new ATOM 221 N GLN A 13 -9.999 -4.332 -10.873 1.00 0.00 N ATOM 222 CA GLN A 13 -10.590 -3.009 -11.056 1.00 0.00 C ATOM 223 C GLN A 13 -11.351 -2.643 -9.786 1.00 0.00 C ATOM 224 O GLN A 13 -12.290 -3.326 -9.393 1.00 0.00 O ATOM 225 CB GLN A 13 -11.470 -2.964 -12.321 1.00 0.00 C ATOM 226 CG GLN A 13 -12.326 -1.718 -12.454 1.00 0.00 C ATOM 227 CD GLN A 13 -13.598 -1.772 -11.641 1.00 0.00 C ATOM 228 OE1 GLN A 13 -14.222 -2.820 -11.495 1.00 0.00 O ATOM 229 NE2 GLN A 13 -13.966 -0.643 -11.073 1.00 0.00 N ATOM 0 H GLN A 13 -10.264 -4.774 -9.993 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.811 -2.264 -11.217 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.827 -3.042 -13.198 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.121 -3.838 -12.325 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.743 -0.851 -12.144 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.581 -1.572 -13.504 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.418 0.205 -11.221 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.799 -0.616 -10.485 1.00 0.00 H new ATOM 238 N GLY A 14 -10.887 -1.597 -9.114 1.00 0.00 N ATOM 239 CA GLY A 14 -11.504 -1.184 -7.865 1.00 0.00 C ATOM 240 C GLY A 14 -12.209 0.147 -7.984 1.00 0.00 C ATOM 241 O GLY A 14 -13.277 0.349 -7.413 1.00 0.00 O ATOM 0 H GLY A 14 -10.095 -1.027 -9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.218 -1.943 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.741 -1.120 -7.089 1.00 0.00 H new ATOM 245 N ASN A 15 -11.608 1.062 -8.729 1.00 0.00 N ATOM 246 CA ASN A 15 -12.214 2.368 -8.957 1.00 0.00 C ATOM 247 C ASN A 15 -12.836 2.390 -10.337 1.00 0.00 C ATOM 248 O ASN A 15 -14.009 2.702 -10.506 1.00 0.00 O ATOM 249 CB ASN A 15 -11.178 3.492 -8.836 1.00 0.00 C ATOM 250 CG ASN A 15 -10.561 3.602 -7.452 1.00 0.00 C ATOM 251 OD1 ASN A 15 -9.410 4.014 -7.309 1.00 0.00 O ATOM 252 ND2 ASN A 15 -11.315 3.244 -6.424 1.00 0.00 N ATOM 0 H ASN A 15 -10.706 0.927 -9.185 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.978 2.535 -8.198 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.386 3.325 -9.566 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.651 4.440 -9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.946 3.305 -5.475 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.265 2.907 -6.581 1.00 0.00 H new ATOM 259 N SER A 16 -12.028 2.025 -11.313 1.00 0.00 N ATOM 260 CA SER A 16 -12.451 1.930 -12.692 1.00 0.00 C ATOM 261 C SER A 16 -11.367 1.185 -13.456 1.00 0.00 C ATOM 262 O SER A 16 -10.320 0.882 -12.881 1.00 0.00 O ATOM 263 CB SER A 16 -12.684 3.328 -13.277 1.00 0.00 C ATOM 264 OG SER A 16 -13.279 3.255 -14.560 1.00 0.00 O ATOM 0 H SER A 16 -11.048 1.784 -11.166 1.00 0.00 H new ATOM 0 HA SER A 16 -13.395 1.390 -12.770 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.325 3.902 -12.608 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.735 3.860 -13.343 1.00 0.00 H new ATOM 0 HG SER A 16 -13.418 4.160 -14.908 1.00 0.00 H new ATOM 270 N HIS A 17 -11.605 0.875 -14.726 1.00 0.00 N ATOM 271 CA HIS A 17 -10.621 0.155 -15.543 1.00 0.00 C ATOM 272 C HIS A 17 -9.416 1.043 -15.863 1.00 0.00 C ATOM 273 O HIS A 17 -8.572 0.678 -16.676 1.00 0.00 O ATOM 274 CB HIS A 17 -11.254 -0.346 -16.849 1.00 0.00 C ATOM 275 CG HIS A 17 -11.460 0.724 -17.885 1.00 0.00 C ATOM 276 ND1 HIS A 17 -10.616 0.890 -18.960 1.00 0.00 N ATOM 277 CD2 HIS A 17 -12.407 1.685 -18.004 1.00 0.00 C ATOM 278 CE1 HIS A 17 -11.029 1.905 -19.692 1.00 0.00 C ATOM 279 NE2 HIS A 17 -12.114 2.405 -19.134 1.00 0.00 N ATOM 0 H HIS A 17 -12.468 1.109 -15.216 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.280 -0.703 -14.963 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.621 -1.127 -17.270 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.216 -0.805 -16.621 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.238 1.853 -17.334 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -10.559 2.266 -20.595 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -12.649 3.199 -19.486 1.00 0.00 H new ATOM 288 N TRP A 18 -9.382 2.207 -15.217 1.00 0.00 N ATOM 289 CA TRP A 18 -8.286 3.171 -15.292 1.00 0.00 C ATOM 290 C TRP A 18 -6.924 2.493 -15.492 1.00 0.00 C ATOM 291 O TRP A 18 -6.144 2.924 -16.343 1.00 0.00 O ATOM 292 CB TRP A 18 -8.343 4.014 -14.008 1.00 0.00 C ATOM 293 CG TRP A 18 -7.046 4.583 -13.529 1.00 0.00 C ATOM 294 CD1 TRP A 18 -6.467 5.762 -13.897 1.00 0.00 C ATOM 295 CD2 TRP A 18 -6.189 4.004 -12.546 1.00 0.00 C ATOM 296 NE1 TRP A 18 -5.293 5.944 -13.207 1.00 0.00 N ATOM 297 CE2 TRP A 18 -5.100 4.873 -12.370 1.00 0.00 C ATOM 298 CE3 TRP A 18 -6.239 2.827 -11.800 1.00 0.00 C ATOM 299 CZ2 TRP A 18 -4.068 4.601 -11.478 1.00 0.00 C ATOM 300 CZ3 TRP A 18 -5.215 2.557 -10.915 1.00 0.00 C ATOM 301 CH2 TRP A 18 -4.142 3.441 -10.759 1.00 0.00 C ATOM 0 H TRP A 18 -10.140 2.515 -14.608 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.402 3.811 -16.167 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.038 4.838 -14.170 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -8.760 3.397 -13.212 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.872 6.451 -14.624 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.667 6.744 -13.301 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -7.064 2.139 -11.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.238 5.282 -11.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -5.242 1.648 -10.333 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.357 3.202 -10.057 1.00 0.00 H new ATOM 312 N MET A 19 -6.683 1.412 -14.736 1.00 0.00 N ATOM 313 CA MET A 19 -5.471 0.589 -14.863 1.00 0.00 C ATOM 314 C MET A 19 -5.288 -0.173 -13.576 1.00 0.00 C ATOM 315 O MET A 19 -4.546 0.235 -12.687 1.00 0.00 O ATOM 316 CB MET A 19 -4.191 1.389 -15.153 1.00 0.00 C ATOM 317 CG MET A 19 -3.082 0.560 -15.800 1.00 0.00 C ATOM 318 SD MET A 19 -2.572 -0.859 -14.806 1.00 0.00 S ATOM 319 CE MET A 19 -1.434 -1.670 -15.918 1.00 0.00 C ATOM 0 H MET A 19 -7.326 1.082 -14.016 1.00 0.00 H new ATOM 0 HA MET A 19 -5.619 -0.067 -15.721 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.436 2.225 -15.808 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.819 1.813 -14.220 1.00 0.00 H new ATOM 0 HG2 MET A 19 -3.423 0.208 -16.774 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.217 1.199 -15.977 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.471 -2.747 -15.755 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.712 -1.449 -16.948 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.423 -1.310 -15.730 1.00 0.00 H new ATOM 329 N THR A 20 -6.002 -1.258 -13.458 1.00 0.00 N ATOM 330 CA THR A 20 -6.005 -2.012 -12.234 1.00 0.00 C ATOM 331 C THR A 20 -5.642 -3.458 -12.500 1.00 0.00 C ATOM 332 O THR A 20 -5.460 -4.258 -11.584 1.00 0.00 O ATOM 333 CB THR A 20 -7.396 -1.946 -11.627 1.00 0.00 C ATOM 334 OG1 THR A 20 -7.869 -0.590 -11.633 1.00 0.00 O ATOM 335 CG2 THR A 20 -7.414 -2.474 -10.212 1.00 0.00 C ATOM 0 H THR A 20 -6.591 -1.641 -14.197 1.00 0.00 H new ATOM 0 HA THR A 20 -5.270 -1.590 -11.549 1.00 0.00 H new ATOM 0 HB THR A 20 -8.049 -2.573 -12.233 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.697 -0.535 -12.154 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.426 -2.410 -9.813 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.087 -3.514 -10.207 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.742 -1.880 -9.593 1.00 0.00 H new ATOM 343 N ASN A 21 -5.542 -3.789 -13.772 1.00 0.00 N ATOM 344 CA ASN A 21 -5.225 -5.140 -14.168 1.00 0.00 C ATOM 345 C ASN A 21 -3.813 -5.466 -13.713 1.00 0.00 C ATOM 346 O ASN A 21 -3.526 -6.597 -13.315 1.00 0.00 O ATOM 347 CB ASN A 21 -5.365 -5.300 -15.681 1.00 0.00 C ATOM 348 CG ASN A 21 -6.695 -4.793 -16.222 1.00 0.00 C ATOM 349 OD1 ASN A 21 -6.802 -4.462 -17.400 1.00 0.00 O ATOM 350 ND2 ASN A 21 -7.710 -4.693 -15.370 1.00 0.00 N ATOM 0 H ASN A 21 -5.676 -3.139 -14.546 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.922 -5.835 -13.699 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.553 -4.764 -16.172 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.254 -6.353 -15.939 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.610 -4.333 -15.689 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.589 -4.976 -14.398 1.00 0.00 H new ATOM 357 N ALA A 22 -2.974 -4.426 -13.753 1.00 0.00 N ATOM 358 CA ALA A 22 -1.610 -4.442 -13.210 1.00 0.00 C ATOM 359 C ALA A 22 -0.820 -5.715 -13.523 1.00 0.00 C ATOM 360 O ALA A 22 -1.118 -6.459 -14.461 1.00 0.00 O ATOM 361 CB ALA A 22 -1.680 -4.223 -11.704 1.00 0.00 C ATOM 0 H ALA A 22 -3.228 -3.531 -14.172 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.064 -3.637 -13.702 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.673 -4.233 -11.288 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.149 -3.261 -11.498 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.269 -5.019 -11.248 1.00 0.00 H new ATOM 367 N GLN A 23 0.237 -5.907 -12.753 1.00 0.00 N ATOM 368 CA GLN A 23 1.027 -7.118 -12.788 1.00 0.00 C ATOM 369 C GLN A 23 1.395 -7.487 -11.361 1.00 0.00 C ATOM 370 O GLN A 23 2.074 -6.715 -10.677 1.00 0.00 O ATOM 371 CB GLN A 23 2.297 -6.911 -13.616 1.00 0.00 C ATOM 372 CG GLN A 23 3.081 -8.192 -13.854 1.00 0.00 C ATOM 373 CD GLN A 23 4.428 -7.934 -14.493 1.00 0.00 C ATOM 374 OE1 GLN A 23 4.542 -7.856 -15.713 1.00 0.00 O ATOM 375 NE2 GLN A 23 5.461 -7.819 -13.673 1.00 0.00 N ATOM 0 H GLN A 23 0.571 -5.217 -12.080 1.00 0.00 H new ATOM 0 HA GLN A 23 0.450 -7.918 -13.251 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.027 -6.475 -14.578 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.939 -6.191 -13.109 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.225 -8.708 -12.905 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.500 -8.857 -14.493 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.322 -7.890 -12.665 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.396 -7.659 -14.049 1.00 0.00 H new ATOM 384 N LEU A 24 0.921 -8.636 -10.900 1.00 0.00 N ATOM 385 CA LEU A 24 1.206 -9.089 -9.546 1.00 0.00 C ATOM 386 C LEU A 24 2.685 -9.412 -9.396 1.00 0.00 C ATOM 387 O LEU A 24 3.160 -10.436 -9.887 1.00 0.00 O ATOM 388 CB LEU A 24 0.354 -10.315 -9.196 1.00 0.00 C ATOM 389 CG LEU A 24 0.591 -10.905 -7.803 1.00 0.00 C ATOM 390 CD1 LEU A 24 0.265 -9.886 -6.723 1.00 0.00 C ATOM 391 CD2 LEU A 24 -0.242 -12.163 -7.613 1.00 0.00 C ATOM 0 H LEU A 24 0.337 -9.272 -11.444 1.00 0.00 H new ATOM 0 HA LEU A 24 0.953 -8.286 -8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.698 -10.042 -9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.543 -11.091 -9.938 1.00 0.00 H new ATOM 0 HG LEU A 24 1.645 -11.168 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.441 -10.327 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.901 -9.009 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.781 -9.590 -6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.063 -12.571 -6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.299 -11.919 -7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.038 -12.902 -8.364 1.00 0.00 H new ATOM 403 N LEU A 25 3.412 -8.519 -8.740 1.00 0.00 N ATOM 404 CA LEU A 25 4.833 -8.714 -8.509 1.00 0.00 C ATOM 405 C LEU A 25 5.036 -9.792 -7.459 1.00 0.00 C ATOM 406 O LEU A 25 5.887 -10.670 -7.600 1.00 0.00 O ATOM 407 CB LEU A 25 5.482 -7.406 -8.051 1.00 0.00 C ATOM 408 CG LEU A 25 5.405 -6.255 -9.054 1.00 0.00 C ATOM 409 CD1 LEU A 25 6.067 -5.009 -8.490 1.00 0.00 C ATOM 410 CD2 LEU A 25 6.056 -6.651 -10.369 1.00 0.00 C ATOM 0 H LEU A 25 3.038 -7.650 -8.358 1.00 0.00 H new ATOM 0 HA LEU A 25 5.304 -9.027 -9.441 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.008 -7.090 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.530 -7.599 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 25 4.354 -6.033 -9.240 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.002 -4.201 -9.219 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.560 -4.712 -7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.114 -5.219 -8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.992 -5.820 -11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.103 -6.900 -10.196 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.540 -7.517 -10.784 1.00 0.00 H new ATOM 422 N GLY A 26 4.234 -9.717 -6.414 1.00 0.00 N ATOM 423 CA GLY A 26 4.272 -10.709 -5.367 1.00 0.00 C ATOM 424 C GLY A 26 3.713 -10.160 -4.079 1.00 0.00 C ATOM 425 O GLY A 26 3.655 -8.941 -3.896 1.00 0.00 O ATOM 0 H GLY A 26 3.548 -8.976 -6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.700 -11.585 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.299 -11.038 -5.210 1.00 0.00 H new ATOM 429 N ASP A 27 3.283 -11.043 -3.194 1.00 0.00 N ATOM 430 CA ASP A 27 2.745 -10.616 -1.913 1.00 0.00 C ATOM 431 C ASP A 27 3.886 -10.183 -1.013 1.00 0.00 C ATOM 432 O ASP A 27 4.968 -10.775 -1.033 1.00 0.00 O ATOM 433 CB ASP A 27 1.957 -11.733 -1.222 1.00 0.00 C ATOM 434 CG ASP A 27 1.207 -12.634 -2.184 1.00 0.00 C ATOM 435 OD1 ASP A 27 0.222 -12.183 -2.799 1.00 0.00 O ATOM 436 OD2 ASP A 27 1.600 -13.812 -2.319 1.00 0.00 O ATOM 0 H ASP A 27 3.295 -12.053 -3.337 1.00 0.00 H new ATOM 0 HA ASP A 27 2.061 -9.787 -2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.644 -12.339 -0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.246 -11.287 -0.526 1.00 0.00 H new ATOM 441 N PHE A 28 3.646 -9.156 -0.231 1.00 0.00 N ATOM 442 CA PHE A 28 4.659 -8.611 0.653 1.00 0.00 C ATOM 443 C PHE A 28 4.041 -8.200 1.984 1.00 0.00 C ATOM 444 O PHE A 28 3.253 -7.258 2.052 1.00 0.00 O ATOM 445 CB PHE A 28 5.346 -7.421 -0.025 1.00 0.00 C ATOM 446 CG PHE A 28 6.336 -6.693 0.838 1.00 0.00 C ATOM 447 CD1 PHE A 28 7.266 -7.383 1.602 1.00 0.00 C ATOM 448 CD2 PHE A 28 6.335 -5.310 0.877 1.00 0.00 C ATOM 449 CE1 PHE A 28 8.172 -6.702 2.393 1.00 0.00 C ATOM 450 CE2 PHE A 28 7.238 -4.625 1.661 1.00 0.00 C ATOM 451 CZ PHE A 28 8.156 -5.319 2.422 1.00 0.00 C ATOM 0 H PHE A 28 2.748 -8.674 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 28 5.407 -9.377 0.857 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.857 -7.776 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.582 -6.716 -0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.282 -8.463 1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.618 -4.760 0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.890 -7.248 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.227 -3.545 1.680 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.861 -4.783 3.040 1.00 0.00 H new ATOM 461 N SER A 29 4.397 -8.921 3.033 1.00 0.00 N ATOM 462 CA SER A 29 3.882 -8.642 4.359 1.00 0.00 C ATOM 463 C SER A 29 4.830 -7.718 5.113 1.00 0.00 C ATOM 464 O SER A 29 6.032 -7.987 5.211 1.00 0.00 O ATOM 465 CB SER A 29 3.688 -9.949 5.127 1.00 0.00 C ATOM 466 OG SER A 29 2.778 -10.799 4.451 1.00 0.00 O ATOM 0 H SER A 29 5.044 -9.708 2.990 1.00 0.00 H new ATOM 0 HA SER A 29 2.918 -8.142 4.265 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.647 -10.454 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.317 -9.735 6.130 1.00 0.00 H new ATOM 0 HG SER A 29 2.182 -11.224 5.102 1.00 0.00 H new ATOM 472 N ILE A 30 4.291 -6.625 5.632 1.00 0.00 N ATOM 473 CA ILE A 30 5.094 -5.665 6.370 1.00 0.00 C ATOM 474 C ILE A 30 4.716 -5.660 7.839 1.00 0.00 C ATOM 475 O ILE A 30 3.536 -5.617 8.196 1.00 0.00 O ATOM 476 CB ILE A 30 4.981 -4.239 5.795 1.00 0.00 C ATOM 477 CG1 ILE A 30 3.520 -3.862 5.551 1.00 0.00 C ATOM 478 CG2 ILE A 30 5.787 -4.126 4.516 1.00 0.00 C ATOM 479 CD1 ILE A 30 3.348 -2.552 4.809 1.00 0.00 C ATOM 0 H ILE A 30 3.303 -6.382 5.555 1.00 0.00 H new ATOM 0 HA ILE A 30 6.132 -5.982 6.266 1.00 0.00 H new ATOM 0 HB ILE A 30 5.388 -3.539 6.525 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.038 -4.658 4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.005 -3.798 6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.700 -3.115 4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.834 -4.344 4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.407 -4.838 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.286 -2.349 4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.800 -1.745 5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.834 -2.619 3.836 1.00 0.00 H new ATOM 491 N ASP A 31 5.728 -5.736 8.681 1.00 0.00 N ATOM 492 CA ASP A 31 5.537 -5.742 10.114 1.00 0.00 C ATOM 493 C ASP A 31 5.457 -4.317 10.625 1.00 0.00 C ATOM 494 O ASP A 31 6.006 -3.403 10.008 1.00 0.00 O ATOM 495 CB ASP A 31 6.689 -6.473 10.807 1.00 0.00 C ATOM 496 CG ASP A 31 6.919 -7.872 10.265 1.00 0.00 C ATOM 497 OD1 ASP A 31 6.239 -8.813 10.723 1.00 0.00 O ATOM 498 OD2 ASP A 31 7.786 -8.033 9.374 1.00 0.00 O ATOM 0 H ASP A 31 6.704 -5.795 8.389 1.00 0.00 H new ATOM 0 HA ASP A 31 4.607 -6.263 10.339 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.603 -5.890 10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.483 -6.533 11.876 1.00 0.00 H new ATOM 503 N ASN A 32 4.770 -4.146 11.748 1.00 0.00 N ATOM 504 CA ASN A 32 4.620 -2.847 12.405 1.00 0.00 C ATOM 505 C ASN A 32 3.667 -1.939 11.641 1.00 0.00 C ATOM 506 O ASN A 32 3.826 -0.722 11.654 1.00 0.00 O ATOM 507 CB ASN A 32 5.971 -2.140 12.583 1.00 0.00 C ATOM 508 CG ASN A 32 6.912 -2.865 13.525 1.00 0.00 C ATOM 509 OD1 ASN A 32 8.129 -2.794 13.372 1.00 0.00 O ATOM 510 ND2 ASN A 32 6.363 -3.558 14.509 1.00 0.00 N ATOM 0 H ASN A 32 4.297 -4.908 12.234 1.00 0.00 H new ATOM 0 HA ASN A 32 4.199 -3.047 13.390 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.451 -2.039 11.609 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.798 -1.132 12.959 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.955 -4.057 15.173 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.348 -3.593 14.603 1.00 0.00 H new ATOM 517 N TYR A 33 2.668 -2.519 10.987 1.00 0.00 N ATOM 518 CA TYR A 33 1.629 -1.725 10.335 1.00 0.00 C ATOM 519 C TYR A 33 0.254 -2.337 10.565 1.00 0.00 C ATOM 520 O TYR A 33 0.082 -3.550 10.465 1.00 0.00 O ATOM 521 CB TYR A 33 1.884 -1.587 8.830 1.00 0.00 C ATOM 522 CG TYR A 33 3.180 -0.886 8.488 1.00 0.00 C ATOM 523 CD1 TYR A 33 3.292 0.494 8.590 1.00 0.00 C ATOM 524 CD2 TYR A 33 4.289 -1.603 8.065 1.00 0.00 C ATOM 525 CE1 TYR A 33 4.473 1.141 8.280 1.00 0.00 C ATOM 526 CE2 TYR A 33 5.474 -0.967 7.752 1.00 0.00 C ATOM 527 CZ TYR A 33 5.562 0.406 7.861 1.00 0.00 C ATOM 528 OH TYR A 33 6.743 1.045 7.552 1.00 0.00 O ATOM 0 H TYR A 33 2.554 -3.528 10.893 1.00 0.00 H new ATOM 0 HA TYR A 33 1.659 -0.731 10.782 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.890 -2.580 8.380 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.056 -1.038 8.380 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.441 1.072 8.918 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.225 -2.678 7.979 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.543 2.215 8.365 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.328 -1.541 7.424 1.00 0.00 H new ATOM 0 HH TYR A 33 7.410 0.383 7.275 1.00 0.00 H new ATOM 538 N GLN A 34 -0.716 -1.489 10.876 1.00 0.00 N ATOM 539 CA GLN A 34 -2.092 -1.927 11.075 1.00 0.00 C ATOM 540 C GLN A 34 -2.938 -1.497 9.886 1.00 0.00 C ATOM 541 O GLN A 34 -2.553 -0.585 9.152 1.00 0.00 O ATOM 542 CB GLN A 34 -2.668 -1.322 12.355 1.00 0.00 C ATOM 543 CG GLN A 34 -1.852 -1.620 13.601 1.00 0.00 C ATOM 544 CD GLN A 34 -2.372 -0.884 14.820 1.00 0.00 C ATOM 545 OE1 GLN A 34 -3.219 -1.388 15.557 1.00 0.00 O ATOM 546 NE2 GLN A 34 -1.867 0.321 15.038 1.00 0.00 N ATOM 0 H GLN A 34 -0.575 -0.486 10.997 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.104 -3.013 11.164 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.743 -0.242 12.232 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.681 -1.698 12.498 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.866 -2.693 13.794 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.813 -1.341 13.427 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.166 0.703 14.403 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.179 0.867 15.841 1.00 0.00 H new ATOM 555 N LEU A 35 -4.089 -2.129 9.702 1.00 0.00 N ATOM 556 CA LEU A 35 -4.940 -1.808 8.564 1.00 0.00 C ATOM 557 C LEU A 35 -6.273 -1.221 9.016 1.00 0.00 C ATOM 558 O LEU A 35 -6.911 -1.735 9.934 1.00 0.00 O ATOM 559 CB LEU A 35 -5.189 -3.053 7.712 1.00 0.00 C ATOM 560 CG LEU A 35 -5.954 -2.804 6.410 1.00 0.00 C ATOM 561 CD1 LEU A 35 -5.077 -2.086 5.397 1.00 0.00 C ATOM 562 CD2 LEU A 35 -6.467 -4.110 5.837 1.00 0.00 C ATOM 0 H LEU A 35 -4.452 -2.858 10.317 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.419 -1.061 7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.228 -3.507 7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.743 -3.778 8.308 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.808 -2.165 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.642 -1.920 4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.759 -1.127 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.200 -2.696 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.008 -3.914 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.626 -4.773 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.136 -4.584 6.555 1.00 0.00 H new ATOM 574 N TYR A 36 -6.675 -0.136 8.373 1.00 0.00 N ATOM 575 CA TYR A 36 -7.979 0.468 8.604 1.00 0.00 C ATOM 576 C TYR A 36 -8.877 0.228 7.402 1.00 0.00 C ATOM 577 O TYR A 36 -8.397 0.032 6.285 1.00 0.00 O ATOM 578 CB TYR A 36 -7.866 1.977 8.810 1.00 0.00 C ATOM 579 CG TYR A 36 -6.952 2.397 9.926 1.00 0.00 C ATOM 580 CD1 TYR A 36 -7.329 2.247 11.253 1.00 0.00 C ATOM 581 CD2 TYR A 36 -5.719 2.961 9.649 1.00 0.00 C ATOM 582 CE1 TYR A 36 -6.495 2.648 12.276 1.00 0.00 C ATOM 583 CE2 TYR A 36 -4.878 3.362 10.661 1.00 0.00 C ATOM 584 CZ TYR A 36 -5.271 3.203 11.977 1.00 0.00 C ATOM 585 OH TYR A 36 -4.438 3.599 12.996 1.00 0.00 O ATOM 0 H TYR A 36 -6.109 0.350 7.678 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.396 0.011 9.501 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.515 2.430 7.883 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.861 2.378 9.004 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.288 1.810 11.488 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.412 3.088 8.621 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.800 2.527 13.305 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.917 3.798 10.429 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.753 2.914 13.144 1.00 0.00 H new ATOM 595 N SER A 37 -10.176 0.275 7.621 1.00 0.00 N ATOM 596 CA SER A 37 -11.126 0.173 6.535 1.00 0.00 C ATOM 597 C SER A 37 -12.360 1.006 6.835 1.00 0.00 C ATOM 598 O SER A 37 -12.975 0.866 7.892 1.00 0.00 O ATOM 599 CB SER A 37 -11.519 -1.287 6.295 1.00 0.00 C ATOM 600 OG SER A 37 -12.414 -1.404 5.199 1.00 0.00 O ATOM 0 H SER A 37 -10.597 0.383 8.544 1.00 0.00 H new ATOM 0 HA SER A 37 -10.654 0.556 5.630 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.625 -1.880 6.103 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.984 -1.694 7.193 1.00 0.00 H new ATOM 0 HG SER A 37 -12.647 -2.347 5.066 1.00 0.00 H new ATOM 606 N LEU A 38 -12.699 1.894 5.916 1.00 0.00 N ATOM 607 CA LEU A 38 -13.948 2.634 6.007 1.00 0.00 C ATOM 608 C LEU A 38 -14.928 2.076 4.987 1.00 0.00 C ATOM 609 O LEU A 38 -15.932 2.702 4.651 1.00 0.00 O ATOM 610 CB LEU A 38 -13.749 4.155 5.818 1.00 0.00 C ATOM 611 CG LEU A 38 -13.134 4.626 4.499 1.00 0.00 C ATOM 612 CD1 LEU A 38 -13.559 6.058 4.224 1.00 0.00 C ATOM 613 CD2 LEU A 38 -11.616 4.550 4.547 1.00 0.00 C ATOM 0 H LEU A 38 -12.130 2.120 5.101 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.351 2.507 7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.720 4.638 5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.119 4.516 6.631 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.488 3.972 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.121 6.394 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.646 6.108 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.216 6.701 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.204 4.890 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.245 5.185 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.309 3.520 4.727 1.00 0.00 H new ATOM 625 N GLY A 39 -14.613 0.882 4.492 1.00 0.00 N ATOM 626 CA GLY A 39 -15.493 0.204 3.560 1.00 0.00 C ATOM 627 C GLY A 39 -15.094 0.449 2.126 1.00 0.00 C ATOM 628 O GLY A 39 -15.377 -0.358 1.241 1.00 0.00 O ATOM 0 H GLY A 39 -13.760 0.372 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.479 -0.867 3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.517 0.545 3.715 1.00 0.00 H new ATOM 632 N HIS A 40 -14.425 1.566 1.902 1.00 0.00 N ATOM 633 CA HIS A 40 -13.988 1.937 0.567 1.00 0.00 C ATOM 634 C HIS A 40 -12.470 1.862 0.486 1.00 0.00 C ATOM 635 O HIS A 40 -11.914 0.966 -0.144 1.00 0.00 O ATOM 636 CB HIS A 40 -14.468 3.352 0.209 1.00 0.00 C ATOM 637 CG HIS A 40 -15.936 3.581 0.438 1.00 0.00 C ATOM 638 ND1 HIS A 40 -16.889 3.486 -0.555 1.00 0.00 N ATOM 639 CD2 HIS A 40 -16.611 3.896 1.571 1.00 0.00 C ATOM 640 CE1 HIS A 40 -18.081 3.734 -0.039 1.00 0.00 C ATOM 641 NE2 HIS A 40 -17.939 3.984 1.247 1.00 0.00 N ATOM 0 H HIS A 40 -14.172 2.234 2.630 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.423 1.240 -0.149 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.903 4.075 0.797 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -14.241 3.546 -0.839 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -16.180 4.049 2.550 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -19.015 3.732 -0.581 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -18.694 4.207 1.895 1.00 0.00 H new ATOM 650 N TYR A 41 -11.812 2.813 1.130 1.00 0.00 N ATOM 651 CA TYR A 41 -10.354 2.838 1.184 1.00 0.00 C ATOM 652 C TYR A 41 -9.850 1.911 2.286 1.00 0.00 C ATOM 653 O TYR A 41 -10.317 1.988 3.426 1.00 0.00 O ATOM 654 CB TYR A 41 -9.828 4.250 1.469 1.00 0.00 C ATOM 655 CG TYR A 41 -10.559 5.366 0.762 1.00 0.00 C ATOM 656 CD1 TYR A 41 -11.741 5.865 1.285 1.00 0.00 C ATOM 657 CD2 TYR A 41 -10.061 5.936 -0.402 1.00 0.00 C ATOM 658 CE1 TYR A 41 -12.413 6.898 0.677 1.00 0.00 C ATOM 659 CE2 TYR A 41 -10.732 6.973 -1.024 1.00 0.00 C ATOM 660 CZ TYR A 41 -11.908 7.452 -0.480 1.00 0.00 C ATOM 661 OH TYR A 41 -12.571 8.492 -1.091 1.00 0.00 O ATOM 0 H TYR A 41 -12.264 3.582 1.625 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.990 2.507 0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -9.878 4.429 2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.776 4.292 1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -12.143 5.433 2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.140 5.565 -0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.332 7.274 1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.338 7.407 -1.931 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.081 8.766 -1.894 1.00 0.00 H new ATOM 671 N PRO A 42 -8.920 1.010 1.965 1.00 0.00 N ATOM 672 CA PRO A 42 -8.181 0.258 2.958 1.00 0.00 C ATOM 673 C PRO A 42 -6.854 0.952 3.287 1.00 0.00 C ATOM 674 O PRO A 42 -5.905 0.893 2.505 1.00 0.00 O ATOM 675 CB PRO A 42 -7.934 -1.088 2.263 1.00 0.00 C ATOM 676 CG PRO A 42 -8.192 -0.859 0.796 1.00 0.00 C ATOM 677 CD PRO A 42 -8.532 0.604 0.616 1.00 0.00 C ATOM 0 HA PRO A 42 -8.711 0.161 3.906 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.913 -1.430 2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.597 -1.858 2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.314 -1.124 0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.011 -1.488 0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.679 1.176 0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.342 0.747 -0.099 1.00 0.00 H new ATOM 685 N GLY A 43 -6.798 1.623 4.428 1.00 0.00 N ATOM 686 CA GLY A 43 -5.621 2.408 4.772 1.00 0.00 C ATOM 687 C GLY A 43 -4.723 1.690 5.754 1.00 0.00 C ATOM 688 O GLY A 43 -5.182 0.823 6.484 1.00 0.00 O ATOM 0 H GLY A 43 -7.544 1.641 5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.059 2.633 3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.934 3.361 5.198 1.00 0.00 H new ATOM 692 N ALA A 44 -3.451 2.058 5.793 1.00 0.00 N ATOM 693 CA ALA A 44 -2.491 1.381 6.658 1.00 0.00 C ATOM 694 C ALA A 44 -1.528 2.382 7.288 1.00 0.00 C ATOM 695 O ALA A 44 -1.172 3.380 6.663 1.00 0.00 O ATOM 696 CB ALA A 44 -1.728 0.325 5.870 1.00 0.00 C ATOM 0 H ALA A 44 -3.059 2.819 5.238 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.038 0.889 7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.014 -0.174 6.526 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.429 -0.409 5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.194 0.800 5.047 1.00 0.00 H new ATOM 702 N VAL A 45 -1.111 2.112 8.526 1.00 0.00 N ATOM 703 CA VAL A 45 -0.221 3.015 9.266 1.00 0.00 C ATOM 704 C VAL A 45 0.715 2.213 10.163 1.00 0.00 C ATOM 705 O VAL A 45 0.452 1.043 10.443 1.00 0.00 O ATOM 706 CB VAL A 45 -1.002 4.010 10.161 1.00 0.00 C ATOM 707 CG1 VAL A 45 -1.975 4.851 9.349 1.00 0.00 C ATOM 708 CG2 VAL A 45 -1.719 3.265 11.274 1.00 0.00 C ATOM 0 H VAL A 45 -1.375 1.272 9.041 1.00 0.00 H new ATOM 0 HA VAL A 45 0.339 3.578 8.519 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.283 4.696 10.609 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.504 5.536 10.011 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.426 5.421 8.600 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.694 4.199 8.853 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.264 3.976 11.895 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.419 2.550 10.841 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.989 2.734 11.885 1.00 0.00 H new ATOM 718 N PRO A 46 1.817 2.828 10.625 1.00 0.00 N ATOM 719 CA PRO A 46 2.748 2.186 11.561 1.00 0.00 C ATOM 720 C PRO A 46 2.090 1.815 12.893 1.00 0.00 C ATOM 721 O PRO A 46 1.129 2.454 13.334 1.00 0.00 O ATOM 722 CB PRO A 46 3.837 3.245 11.778 1.00 0.00 C ATOM 723 CG PRO A 46 3.219 4.532 11.353 1.00 0.00 C ATOM 724 CD PRO A 46 2.262 4.181 10.253 1.00 0.00 C ATOM 0 HA PRO A 46 3.125 1.244 11.163 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.147 3.283 12.822 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.727 3.022 11.189 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.701 5.011 12.184 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.977 5.233 11.003 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.428 4.881 10.204 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.746 4.193 9.277 1.00 0.00 H new ATOM 732 N GLY A 47 2.620 0.777 13.521 1.00 0.00 N ATOM 733 CA GLY A 47 2.092 0.286 14.778 1.00 0.00 C ATOM 734 C GLY A 47 2.641 -1.094 15.080 1.00 0.00 C ATOM 735 O GLY A 47 3.848 -1.313 14.983 1.00 0.00 O ATOM 0 H GLY A 47 3.425 0.255 13.173 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.355 0.973 15.583 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.004 0.249 14.733 1.00 0.00 H new ATOM 739 N ASN A 48 1.775 -2.032 15.424 1.00 0.00 N ATOM 740 CA ASN A 48 2.193 -3.411 15.611 1.00 0.00 C ATOM 741 C ASN A 48 1.188 -4.346 14.962 1.00 0.00 C ATOM 742 O ASN A 48 0.206 -4.757 15.576 1.00 0.00 O ATOM 743 CB ASN A 48 2.369 -3.752 17.094 1.00 0.00 C ATOM 744 CG ASN A 48 3.044 -5.101 17.309 1.00 0.00 C ATOM 745 OD1 ASN A 48 2.866 -6.041 16.537 1.00 0.00 O ATOM 746 ND2 ASN A 48 3.843 -5.200 18.357 1.00 0.00 N ATOM 0 H ASN A 48 0.781 -1.865 15.579 1.00 0.00 H new ATOM 0 HA ASN A 48 3.164 -3.540 15.132 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.961 -2.973 17.574 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.393 -3.756 17.580 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.333 -6.075 18.544 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.970 -4.402 18.979 1.00 0.00 H new ATOM 753 N GLY A 49 1.431 -4.623 13.698 1.00 0.00 N ATOM 754 CA GLY A 49 0.618 -5.553 12.944 1.00 0.00 C ATOM 755 C GLY A 49 1.390 -6.063 11.751 1.00 0.00 C ATOM 756 O GLY A 49 2.546 -5.684 11.566 1.00 0.00 O ATOM 0 H GLY A 49 2.197 -4.210 13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.321 -6.387 13.579 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.298 -5.063 12.613 1.00 0.00 H new ATOM 760 N THR A 50 0.785 -6.915 10.946 1.00 0.00 N ATOM 761 CA THR A 50 1.449 -7.415 9.755 1.00 0.00 C ATOM 762 C THR A 50 0.524 -7.357 8.550 1.00 0.00 C ATOM 763 O THR A 50 -0.382 -8.175 8.410 1.00 0.00 O ATOM 764 CB THR A 50 1.958 -8.854 9.951 1.00 0.00 C ATOM 765 OG1 THR A 50 2.869 -8.895 11.058 1.00 0.00 O ATOM 766 CG2 THR A 50 2.658 -9.354 8.695 1.00 0.00 C ATOM 0 H THR A 50 -0.158 -7.274 11.092 1.00 0.00 H new ATOM 0 HA THR A 50 2.308 -6.769 9.574 1.00 0.00 H new ATOM 0 HB THR A 50 1.104 -9.500 10.153 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.191 -9.812 11.183 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.010 -10.373 8.856 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.959 -9.339 7.859 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.507 -8.708 8.470 1.00 0.00 H new ATOM 774 N VAL A 51 0.764 -6.392 7.677 1.00 0.00 N ATOM 775 CA VAL A 51 -0.066 -6.216 6.501 1.00 0.00 C ATOM 776 C VAL A 51 0.416 -7.141 5.400 1.00 0.00 C ATOM 777 O VAL A 51 1.499 -6.942 4.848 1.00 0.00 O ATOM 778 CB VAL A 51 -0.049 -4.753 5.999 1.00 0.00 C ATOM 779 CG1 VAL A 51 -0.928 -4.586 4.766 1.00 0.00 C ATOM 780 CG2 VAL A 51 -0.495 -3.806 7.103 1.00 0.00 C ATOM 0 H VAL A 51 1.527 -5.720 7.762 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.093 -6.460 6.774 1.00 0.00 H new ATOM 0 HB VAL A 51 0.975 -4.505 5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.897 -3.548 4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.562 -5.232 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.955 -4.858 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.477 -2.781 6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.508 -4.062 7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.180 -3.896 7.954 1.00 0.00 H new ATOM 790 N HIS A 52 -0.377 -8.164 5.104 1.00 0.00 N ATOM 791 CA HIS A 52 -0.020 -9.147 4.090 1.00 0.00 C ATOM 792 C HIS A 52 -0.352 -8.608 2.708 1.00 0.00 C ATOM 793 O HIS A 52 -1.101 -9.224 1.953 1.00 0.00 O ATOM 794 CB HIS A 52 -0.785 -10.450 4.336 1.00 0.00 C ATOM 795 CG HIS A 52 -0.400 -11.156 5.600 1.00 0.00 C ATOM 796 ND1 HIS A 52 0.401 -12.275 5.625 1.00 0.00 N ATOM 797 CD2 HIS A 52 -0.727 -10.906 6.889 1.00 0.00 C ATOM 798 CE1 HIS A 52 0.549 -12.682 6.870 1.00 0.00 C ATOM 799 NE2 HIS A 52 -0.125 -11.869 7.661 1.00 0.00 N ATOM 0 H HIS A 52 -1.276 -8.334 5.555 1.00 0.00 H new ATOM 0 HA HIS A 52 1.050 -9.345 4.148 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.853 -10.232 4.365 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.619 -11.121 3.493 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.348 -10.097 7.245 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.125 -13.538 7.189 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.188 -11.943 8.676 1.00 0.00 H new ATOM 808 N GLY A 53 0.242 -7.471 2.380 1.00 0.00 N ATOM 809 CA GLY A 53 -0.148 -6.733 1.200 1.00 0.00 C ATOM 810 C GLY A 53 0.290 -7.377 -0.095 1.00 0.00 C ATOM 811 O GLY A 53 1.092 -8.311 -0.107 1.00 0.00 O ATOM 0 H GLY A 53 0.996 -7.043 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.233 -6.625 1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.272 -5.729 1.256 1.00 0.00 H new ATOM 815 N GLU A 54 -0.233 -6.856 -1.188 1.00 0.00 N ATOM 816 CA GLU A 54 0.066 -7.366 -2.509 1.00 0.00 C ATOM 817 C GLU A 54 0.681 -6.259 -3.369 1.00 0.00 C ATOM 818 O GLU A 54 0.044 -5.246 -3.646 1.00 0.00 O ATOM 819 CB GLU A 54 -1.209 -7.948 -3.142 1.00 0.00 C ATOM 820 CG GLU A 54 -2.478 -7.168 -2.805 1.00 0.00 C ATOM 821 CD GLU A 54 -3.753 -7.871 -3.250 1.00 0.00 C ATOM 822 OE1 GLU A 54 -4.175 -8.839 -2.575 1.00 0.00 O ATOM 823 OE2 GLU A 54 -4.341 -7.462 -4.278 1.00 0.00 O ATOM 0 H GLU A 54 -0.878 -6.066 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 54 0.798 -8.171 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.086 -7.973 -4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.329 -8.979 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.519 -7.003 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.429 -6.187 -3.277 1.00 0.00 H new ATOM 830 N VAL A 55 1.942 -6.439 -3.750 1.00 0.00 N ATOM 831 CA VAL A 55 2.653 -5.426 -4.528 1.00 0.00 C ATOM 832 C VAL A 55 2.399 -5.615 -6.025 1.00 0.00 C ATOM 833 O VAL A 55 2.535 -6.722 -6.555 1.00 0.00 O ATOM 834 CB VAL A 55 4.175 -5.456 -4.245 1.00 0.00 C ATOM 835 CG1 VAL A 55 4.888 -4.299 -4.938 1.00 0.00 C ATOM 836 CG2 VAL A 55 4.441 -5.419 -2.748 1.00 0.00 C ATOM 0 H VAL A 55 2.491 -7.271 -3.535 1.00 0.00 H new ATOM 0 HA VAL A 55 2.268 -4.453 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 55 4.571 -6.388 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.955 -4.347 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.733 -4.369 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.486 -3.353 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.516 -5.441 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.021 -4.506 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.977 -6.284 -2.274 1.00 0.00 H new ATOM 846 N TYR A 56 2.020 -4.534 -6.699 1.00 0.00 N ATOM 847 CA TYR A 56 1.706 -4.592 -8.122 1.00 0.00 C ATOM 848 C TYR A 56 2.520 -3.583 -8.912 1.00 0.00 C ATOM 849 O TYR A 56 2.993 -2.580 -8.371 1.00 0.00 O ATOM 850 CB TYR A 56 0.223 -4.315 -8.368 1.00 0.00 C ATOM 851 CG TYR A 56 -0.703 -5.413 -7.911 1.00 0.00 C ATOM 852 CD1 TYR A 56 -1.089 -5.507 -6.585 1.00 0.00 C ATOM 853 CD2 TYR A 56 -1.197 -6.350 -8.808 1.00 0.00 C ATOM 854 CE1 TYR A 56 -1.939 -6.503 -6.162 1.00 0.00 C ATOM 855 CE2 TYR A 56 -2.051 -7.351 -8.393 1.00 0.00 C ATOM 856 CZ TYR A 56 -2.419 -7.422 -7.065 1.00 0.00 C ATOM 857 OH TYR A 56 -3.262 -8.419 -6.638 1.00 0.00 O ATOM 0 H TYR A 56 1.923 -3.608 -6.283 1.00 0.00 H new ATOM 0 HA TYR A 56 1.955 -5.599 -8.457 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.050 -3.391 -7.858 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.070 -4.148 -9.434 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.717 -4.787 -5.871 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.908 -6.295 -9.847 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.228 -6.563 -5.123 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.428 -8.073 -9.102 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.662 -8.164 -5.780 1.00 0.00 H new ATOM 867 N ARG A 57 2.672 -3.863 -10.198 1.00 0.00 N ATOM 868 CA ARG A 57 3.290 -2.931 -11.125 1.00 0.00 C ATOM 869 C ARG A 57 2.251 -2.442 -12.122 1.00 0.00 C ATOM 870 O ARG A 57 1.596 -3.250 -12.782 1.00 0.00 O ATOM 871 CB ARG A 57 4.434 -3.603 -11.884 1.00 0.00 C ATOM 872 CG ARG A 57 5.197 -2.649 -12.791 1.00 0.00 C ATOM 873 CD ARG A 57 6.323 -3.350 -13.537 1.00 0.00 C ATOM 874 NE ARG A 57 5.832 -4.395 -14.439 1.00 0.00 N ATOM 875 CZ ARG A 57 6.206 -4.508 -15.715 1.00 0.00 C ATOM 876 NH1 ARG A 57 7.013 -3.602 -16.256 1.00 0.00 N ATOM 877 NH2 ARG A 57 5.764 -5.519 -16.453 1.00 0.00 N ATOM 0 H ARG A 57 2.371 -4.739 -10.625 1.00 0.00 H new ATOM 0 HA ARG A 57 3.688 -2.091 -10.557 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.127 -4.044 -11.167 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.033 -4.420 -12.483 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.509 -2.203 -13.509 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.609 -1.834 -12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.887 -2.615 -14.111 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.013 -3.790 -12.817 1.00 0.00 H new ATOM 0 HE ARG A 57 5.167 -5.075 -14.071 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.348 -2.818 -15.696 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.298 -3.690 -17.231 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.137 -6.212 -16.045 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.052 -5.603 -17.428 1.00 0.00 H new ATOM 891 N ILE A 58 2.087 -1.133 -12.220 1.00 0.00 N ATOM 892 CA ILE A 58 1.171 -0.551 -13.192 1.00 0.00 C ATOM 893 C ILE A 58 1.907 0.497 -14.021 1.00 0.00 C ATOM 894 O ILE A 58 3.097 0.724 -13.813 1.00 0.00 O ATOM 895 CB ILE A 58 -0.087 0.093 -12.533 1.00 0.00 C ATOM 896 CG1 ILE A 58 0.202 1.500 -11.978 1.00 0.00 C ATOM 897 CG2 ILE A 58 -0.641 -0.800 -11.432 1.00 0.00 C ATOM 898 CD1 ILE A 58 1.148 1.554 -10.806 1.00 0.00 C ATOM 0 H ILE A 58 2.576 -0.452 -11.639 1.00 0.00 H new ATOM 0 HA ILE A 58 0.818 -1.364 -13.826 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.836 0.195 -13.318 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.612 2.111 -12.782 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.743 1.956 -11.681 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.518 -0.329 -10.988 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.922 -1.765 -11.853 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.120 -0.946 -10.665 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.282 2.590 -10.494 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.736 0.976 -9.979 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.111 1.135 -11.096 1.00 0.00 H new ATOM 910 N ASP A 59 1.211 1.105 -14.971 1.00 0.00 N ATOM 911 CA ASP A 59 1.757 2.219 -15.750 1.00 0.00 C ATOM 912 C ASP A 59 2.303 3.321 -14.826 1.00 0.00 C ATOM 913 O ASP A 59 1.827 3.491 -13.703 1.00 0.00 O ATOM 914 CB ASP A 59 0.664 2.771 -16.668 1.00 0.00 C ATOM 915 CG ASP A 59 1.129 3.926 -17.524 1.00 0.00 C ATOM 916 OD1 ASP A 59 1.869 3.691 -18.501 1.00 0.00 O ATOM 917 OD2 ASP A 59 0.747 5.074 -17.234 1.00 0.00 O ATOM 0 H ASP A 59 0.258 0.846 -15.226 1.00 0.00 H new ATOM 0 HA ASP A 59 2.589 1.859 -16.355 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.304 1.971 -17.314 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.181 3.095 -16.061 1.00 0.00 H new ATOM 922 N ASN A 60 3.323 4.044 -15.272 1.00 0.00 N ATOM 923 CA ASN A 60 3.882 5.138 -14.471 1.00 0.00 C ATOM 924 C ASN A 60 2.871 6.267 -14.318 1.00 0.00 C ATOM 925 O ASN A 60 2.626 6.758 -13.213 1.00 0.00 O ATOM 926 CB ASN A 60 5.149 5.723 -15.107 1.00 0.00 C ATOM 927 CG ASN A 60 6.327 4.770 -15.132 1.00 0.00 C ATOM 928 OD1 ASN A 60 6.445 3.884 -14.290 1.00 0.00 O ATOM 929 ND2 ASN A 60 7.218 4.961 -16.091 1.00 0.00 N ATOM 0 H ASN A 60 3.779 3.899 -16.173 1.00 0.00 H new ATOM 0 HA ASN A 60 4.129 4.712 -13.499 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.922 6.029 -16.128 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.435 6.622 -14.561 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.040 4.360 -16.150 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.083 5.709 -16.771 1.00 0.00 H new ATOM 936 N ALA A 61 2.280 6.661 -15.439 1.00 0.00 N ATOM 937 CA ALA A 61 1.440 7.847 -15.490 1.00 0.00 C ATOM 938 C ALA A 61 0.171 7.675 -14.671 1.00 0.00 C ATOM 939 O ALA A 61 -0.315 8.636 -14.078 1.00 0.00 O ATOM 940 CB ALA A 61 1.100 8.197 -16.931 1.00 0.00 C ATOM 0 H ALA A 61 2.369 6.172 -16.330 1.00 0.00 H new ATOM 0 HA ALA A 61 2.005 8.669 -15.051 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.471 9.087 -16.951 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.019 8.390 -17.485 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.566 7.365 -17.391 1.00 0.00 H new ATOM 946 N THR A 62 -0.368 6.460 -14.639 1.00 0.00 N ATOM 947 CA THR A 62 -1.572 6.182 -13.871 1.00 0.00 C ATOM 948 C THR A 62 -1.373 6.523 -12.400 1.00 0.00 C ATOM 949 O THR A 62 -2.254 7.088 -11.754 1.00 0.00 O ATOM 950 CB THR A 62 -1.996 4.712 -14.009 1.00 0.00 C ATOM 951 OG1 THR A 62 -0.842 3.880 -14.140 1.00 0.00 O ATOM 952 CG2 THR A 62 -2.910 4.522 -15.202 1.00 0.00 C ATOM 0 H THR A 62 0.011 5.654 -15.136 1.00 0.00 H new ATOM 0 HA THR A 62 -2.365 6.812 -14.275 1.00 0.00 H new ATOM 0 HB THR A 62 -2.543 4.428 -13.110 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.108 4.253 -13.608 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.196 3.473 -15.278 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.804 5.134 -15.077 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.389 4.823 -16.111 1.00 0.00 H new ATOM 960 N LEU A 63 -0.191 6.194 -11.895 1.00 0.00 N ATOM 961 CA LEU A 63 0.140 6.396 -10.495 1.00 0.00 C ATOM 962 C LEU A 63 0.182 7.885 -10.204 1.00 0.00 C ATOM 963 O LEU A 63 -0.501 8.378 -9.308 1.00 0.00 O ATOM 964 CB LEU A 63 1.498 5.753 -10.178 1.00 0.00 C ATOM 965 CG LEU A 63 1.677 5.216 -8.752 1.00 0.00 C ATOM 966 CD1 LEU A 63 1.523 6.316 -7.713 1.00 0.00 C ATOM 967 CD2 LEU A 63 0.695 4.093 -8.496 1.00 0.00 C ATOM 0 H LEU A 63 0.562 5.781 -12.445 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.618 5.927 -9.868 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.659 4.932 -10.876 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.278 6.490 -10.367 1.00 0.00 H new ATOM 0 HG LEU A 63 2.692 4.828 -8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.657 5.896 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.274 7.087 -7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.528 6.754 -7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.828 3.717 -7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.323 4.465 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.871 3.286 -9.208 1.00 0.00 H new ATOM 979 N ALA A 64 0.972 8.596 -11.003 1.00 0.00 N ATOM 980 CA ALA A 64 1.115 10.036 -10.860 1.00 0.00 C ATOM 981 C ALA A 64 -0.224 10.736 -11.055 1.00 0.00 C ATOM 982 O ALA A 64 -0.468 11.804 -10.488 1.00 0.00 O ATOM 983 CB ALA A 64 2.140 10.561 -11.853 1.00 0.00 C ATOM 0 H ALA A 64 1.525 8.193 -11.760 1.00 0.00 H new ATOM 0 HA ALA A 64 1.463 10.249 -9.849 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.239 11.640 -11.737 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.103 10.086 -11.667 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.813 10.333 -12.868 1.00 0.00 H new ATOM 989 N GLU A 65 -1.093 10.116 -11.845 1.00 0.00 N ATOM 990 CA GLU A 65 -2.417 10.666 -12.105 1.00 0.00 C ATOM 991 C GLU A 65 -3.324 10.473 -10.895 1.00 0.00 C ATOM 992 O GLU A 65 -3.946 11.424 -10.421 1.00 0.00 O ATOM 993 CB GLU A 65 -3.042 10.010 -13.338 1.00 0.00 C ATOM 994 CG GLU A 65 -4.405 10.571 -13.700 1.00 0.00 C ATOM 995 CD GLU A 65 -4.989 9.917 -14.931 1.00 0.00 C ATOM 996 OE1 GLU A 65 -4.663 10.361 -16.054 1.00 0.00 O ATOM 997 OE2 GLU A 65 -5.770 8.958 -14.784 1.00 0.00 O ATOM 0 H GLU A 65 -0.904 9.232 -12.317 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.309 11.734 -12.295 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.369 10.136 -14.186 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.135 8.938 -13.161 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.086 10.433 -12.861 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.320 11.645 -13.868 1.00 0.00 H new ATOM 1004 N LEU A 66 -3.386 9.242 -10.396 1.00 0.00 N ATOM 1005 CA LEU A 66 -4.216 8.921 -9.242 1.00 0.00 C ATOM 1006 C LEU A 66 -3.770 9.740 -8.037 1.00 0.00 C ATOM 1007 O LEU A 66 -4.598 10.230 -7.271 1.00 0.00 O ATOM 1008 CB LEU A 66 -4.143 7.415 -8.944 1.00 0.00 C ATOM 1009 CG LEU A 66 -5.209 6.862 -7.984 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -5.355 5.363 -8.177 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -4.854 7.156 -6.530 1.00 0.00 C ATOM 0 H LEU A 66 -2.869 8.449 -10.775 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.253 9.174 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.218 6.875 -9.888 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.160 7.195 -8.528 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.153 7.356 -8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.112 4.980 -7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.656 5.156 -9.204 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.402 4.875 -7.973 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.628 6.752 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.897 6.693 -6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.783 8.234 -6.384 1.00 0.00 H new ATOM 1023 N ASP A 67 -2.460 9.891 -7.887 1.00 0.00 N ATOM 1024 CA ASP A 67 -1.886 10.707 -6.821 1.00 0.00 C ATOM 1025 C ASP A 67 -2.449 12.125 -6.856 1.00 0.00 C ATOM 1026 O ASP A 67 -3.064 12.588 -5.895 1.00 0.00 O ATOM 1027 CB ASP A 67 -0.364 10.754 -6.967 1.00 0.00 C ATOM 1028 CG ASP A 67 0.290 11.697 -5.980 1.00 0.00 C ATOM 1029 OD1 ASP A 67 0.578 11.275 -4.838 1.00 0.00 O ATOM 1030 OD2 ASP A 67 0.534 12.866 -6.354 1.00 0.00 O ATOM 0 H ASP A 67 -1.768 9.455 -8.496 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.149 10.255 -5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.041 9.752 -6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.110 11.063 -7.981 1.00 0.00 H new ATOM 1035 N ALA A 68 -2.262 12.792 -7.988 1.00 0.00 N ATOM 1036 CA ALA A 68 -2.710 14.170 -8.166 1.00 0.00 C ATOM 1037 C ALA A 68 -4.232 14.262 -8.252 1.00 0.00 C ATOM 1038 O ALA A 68 -4.793 15.351 -8.284 1.00 0.00 O ATOM 1039 CB ALA A 68 -2.071 14.759 -9.413 1.00 0.00 C ATOM 0 H ALA A 68 -1.798 12.397 -8.806 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.399 14.744 -7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.407 15.788 -9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.986 14.743 -9.308 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.361 14.170 -10.283 1.00 0.00 H new ATOM 1045 N LEU A 69 -4.892 13.122 -8.341 1.00 0.00 N ATOM 1046 CA LEU A 69 -6.344 13.076 -8.267 1.00 0.00 C ATOM 1047 C LEU A 69 -6.808 12.994 -6.821 1.00 0.00 C ATOM 1048 O LEU A 69 -7.686 13.743 -6.391 1.00 0.00 O ATOM 1049 CB LEU A 69 -6.890 11.882 -9.055 1.00 0.00 C ATOM 1050 CG LEU A 69 -7.175 12.149 -10.532 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -7.573 10.861 -11.240 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -8.271 13.192 -10.668 1.00 0.00 C ATOM 0 H LEU A 69 -4.446 12.213 -8.465 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.730 13.995 -8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.175 11.062 -8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.811 11.545 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.268 12.529 -11.002 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.772 11.070 -12.291 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.762 10.137 -11.162 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.470 10.452 -10.775 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.468 13.377 -11.724 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.180 12.830 -10.187 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.953 14.119 -10.191 1.00 0.00 H new ATOM 1064 N ARG A 70 -6.211 12.081 -6.077 1.00 0.00 N ATOM 1065 CA ARG A 70 -6.667 11.769 -4.735 1.00 0.00 C ATOM 1066 C ARG A 70 -6.054 12.689 -3.674 1.00 0.00 C ATOM 1067 O ARG A 70 -6.747 13.112 -2.749 1.00 0.00 O ATOM 1068 CB ARG A 70 -6.364 10.301 -4.412 1.00 0.00 C ATOM 1069 CG ARG A 70 -6.878 9.826 -3.056 1.00 0.00 C ATOM 1070 CD ARG A 70 -8.393 9.996 -2.914 1.00 0.00 C ATOM 1071 NE ARG A 70 -8.773 11.387 -2.646 1.00 0.00 N ATOM 1072 CZ ARG A 70 -10.028 11.832 -2.574 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -11.053 11.012 -2.780 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -10.258 13.112 -2.310 1.00 0.00 N ATOM 0 H ARG A 70 -5.403 11.539 -6.383 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.744 11.937 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.800 9.675 -5.190 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.285 10.150 -4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.619 8.776 -2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.377 10.384 -2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.882 9.657 -3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.754 9.361 -2.105 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.023 12.063 -2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.885 10.029 -2.996 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.008 11.365 -2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.477 13.751 -2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.216 13.457 -2.254 1.00 0.00 H new ATOM 1088 N THR A 71 -4.775 13.004 -3.791 1.00 0.00 N ATOM 1089 CA THR A 71 -4.104 13.748 -2.740 1.00 0.00 C ATOM 1090 C THR A 71 -3.071 14.727 -3.301 1.00 0.00 C ATOM 1091 O THR A 71 -1.908 14.393 -3.528 1.00 0.00 O ATOM 1092 CB THR A 71 -3.463 12.795 -1.697 1.00 0.00 C ATOM 1093 OG1 THR A 71 -2.747 13.539 -0.706 1.00 0.00 O ATOM 1094 CG2 THR A 71 -2.531 11.783 -2.353 1.00 0.00 C ATOM 0 H THR A 71 -4.189 12.761 -4.590 1.00 0.00 H new ATOM 0 HA THR A 71 -4.865 14.340 -2.232 1.00 0.00 H new ATOM 0 HB THR A 71 -4.276 12.248 -1.220 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.848 13.164 -0.602 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.102 11.134 -1.589 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.093 11.181 -3.067 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.730 12.309 -2.873 1.00 0.00 H new ATOM 1102 N ARG A 72 -3.526 15.943 -3.549 1.00 0.00 N ATOM 1103 CA ARG A 72 -2.665 17.007 -4.031 1.00 0.00 C ATOM 1104 C ARG A 72 -2.092 17.797 -2.863 1.00 0.00 C ATOM 1105 O ARG A 72 -0.978 18.317 -2.931 1.00 0.00 O ATOM 1106 CB ARG A 72 -3.461 17.962 -4.910 1.00 0.00 C ATOM 1107 CG ARG A 72 -4.251 17.298 -6.014 1.00 0.00 C ATOM 1108 CD ARG A 72 -5.214 18.284 -6.649 1.00 0.00 C ATOM 1109 NE ARG A 72 -6.023 17.665 -7.696 1.00 0.00 N ATOM 1110 CZ ARG A 72 -7.314 17.923 -7.887 1.00 0.00 C ATOM 1111 NH1 ARG A 72 -7.964 18.734 -7.060 1.00 0.00 N ATOM 1112 NH2 ARG A 72 -7.963 17.362 -8.901 1.00 0.00 N ATOM 0 H ARG A 72 -4.500 16.219 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.855 16.555 -4.603 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.148 18.526 -4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.774 18.681 -5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.571 16.907 -6.771 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.804 16.449 -5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.869 18.696 -5.881 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.653 19.118 -7.070 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.571 16.995 -8.318 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.473 19.162 -6.275 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.954 18.929 -7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.472 16.732 -9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.953 17.561 -9.046 1.00 0.00 H new ATOM 1126 N GLY A 73 -2.872 17.892 -1.797 1.00 0.00 N ATOM 1127 CA GLY A 73 -2.496 18.734 -0.682 1.00 0.00 C ATOM 1128 C GLY A 73 -1.928 17.953 0.478 1.00 0.00 C ATOM 1129 O GLY A 73 -0.865 18.286 0.998 1.00 0.00 O ATOM 0 H GLY A 73 -3.759 17.401 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.760 19.465 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.369 19.293 -0.345 1.00 0.00 H new ATOM 1133 N GLY A 74 -2.634 16.911 0.883 1.00 0.00 N ATOM 1134 CA GLY A 74 -2.203 16.129 2.022 1.00 0.00 C ATOM 1135 C GLY A 74 -3.328 15.286 2.560 1.00 0.00 C ATOM 1136 O GLY A 74 -3.490 15.134 3.772 1.00 0.00 O ATOM 0 H GLY A 74 -3.498 16.592 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.371 15.488 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.836 16.793 2.805 1.00 0.00 H new ATOM 1140 N GLU A 75 -4.118 14.752 1.645 1.00 0.00 N ATOM 1141 CA GLU A 75 -5.243 13.911 1.988 1.00 0.00 C ATOM 1142 C GLU A 75 -4.730 12.603 2.570 1.00 0.00 C ATOM 1143 O GLU A 75 -5.276 12.072 3.539 1.00 0.00 O ATOM 1144 CB GLU A 75 -6.094 13.649 0.744 1.00 0.00 C ATOM 1145 CG GLU A 75 -6.885 14.858 0.255 1.00 0.00 C ATOM 1146 CD GLU A 75 -6.019 16.072 -0.036 1.00 0.00 C ATOM 1147 OE1 GLU A 75 -5.058 15.958 -0.826 1.00 0.00 O ATOM 1148 OE2 GLU A 75 -6.288 17.146 0.532 1.00 0.00 O ATOM 0 H GLU A 75 -3.994 14.892 0.642 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.865 14.411 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.443 13.306 -0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.790 12.838 0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.429 14.585 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.629 15.124 1.006 1.00 0.00 H new ATOM 1155 N TYR A 76 -3.667 12.097 1.961 1.00 0.00 N ATOM 1156 CA TYR A 76 -2.970 10.924 2.462 1.00 0.00 C ATOM 1157 C TYR A 76 -1.477 11.142 2.277 1.00 0.00 C ATOM 1158 O TYR A 76 -1.056 11.817 1.337 1.00 0.00 O ATOM 1159 CB TYR A 76 -3.401 9.649 1.728 1.00 0.00 C ATOM 1160 CG TYR A 76 -4.903 9.488 1.593 1.00 0.00 C ATOM 1161 CD1 TYR A 76 -5.649 8.846 2.575 1.00 0.00 C ATOM 1162 CD2 TYR A 76 -5.575 9.989 0.486 1.00 0.00 C ATOM 1163 CE1 TYR A 76 -7.021 8.706 2.454 1.00 0.00 C ATOM 1164 CE2 TYR A 76 -6.944 9.852 0.360 1.00 0.00 C ATOM 1165 CZ TYR A 76 -7.661 9.212 1.345 1.00 0.00 C ATOM 1166 OH TYR A 76 -9.027 9.077 1.220 1.00 0.00 O ATOM 0 H TYR A 76 -3.266 12.487 1.109 1.00 0.00 H new ATOM 0 HA TYR A 76 -3.217 10.792 3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.956 9.648 0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -3.000 8.785 2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.150 8.450 3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.018 10.494 -0.289 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.586 8.203 3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.450 10.246 -0.509 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.229 8.446 0.498 1.00 0.00 H new ATOM 1176 N ALA A 77 -0.687 10.584 3.169 1.00 0.00 N ATOM 1177 CA ALA A 77 0.756 10.781 3.126 1.00 0.00 C ATOM 1178 C ALA A 77 1.430 9.766 2.216 1.00 0.00 C ATOM 1179 O ALA A 77 1.151 8.569 2.291 1.00 0.00 O ATOM 1180 CB ALA A 77 1.353 10.697 4.518 1.00 0.00 C ATOM 0 H ALA A 77 -1.013 9.991 3.933 1.00 0.00 H new ATOM 0 HA ALA A 77 0.934 11.777 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.431 10.847 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.912 11.468 5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.145 9.716 4.944 1.00 0.00 H new ATOM 1186 N ARG A 78 2.321 10.254 1.362 1.00 0.00 N ATOM 1187 CA ARG A 78 3.107 9.379 0.507 1.00 0.00 C ATOM 1188 C ARG A 78 4.229 8.740 1.309 1.00 0.00 C ATOM 1189 O ARG A 78 5.182 9.415 1.701 1.00 0.00 O ATOM 1190 CB ARG A 78 3.748 10.135 -0.654 1.00 0.00 C ATOM 1191 CG ARG A 78 2.795 10.746 -1.667 1.00 0.00 C ATOM 1192 CD ARG A 78 3.608 11.325 -2.813 1.00 0.00 C ATOM 1193 NE ARG A 78 2.838 12.147 -3.739 1.00 0.00 N ATOM 1194 CZ ARG A 78 3.317 13.264 -4.288 1.00 0.00 C ATOM 1195 NH1 ARG A 78 4.507 13.725 -3.922 1.00 0.00 N ATOM 1196 NH2 ARG A 78 2.610 13.921 -5.193 1.00 0.00 N ATOM 0 H ARG A 78 2.516 11.248 1.244 1.00 0.00 H new ATOM 0 HA ARG A 78 2.422 8.628 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.367 10.932 -0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.415 9.452 -1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.103 9.990 -2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.194 11.525 -1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.419 11.925 -2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.067 10.506 -3.367 1.00 0.00 H new ATOM 0 HE ARG A 78 1.890 11.855 -3.978 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.054 13.225 -3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.874 14.579 -4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.693 13.574 -5.474 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.982 14.775 -5.609 1.00 0.00 H new ATOM 1210 N GLN A 79 4.114 7.457 1.561 1.00 0.00 N ATOM 1211 CA GLN A 79 5.186 6.720 2.195 1.00 0.00 C ATOM 1212 C GLN A 79 5.794 5.767 1.181 1.00 0.00 C ATOM 1213 O GLN A 79 5.248 4.702 0.910 1.00 0.00 O ATOM 1214 CB GLN A 79 4.670 5.949 3.415 1.00 0.00 C ATOM 1215 CG GLN A 79 5.779 5.404 4.302 1.00 0.00 C ATOM 1216 CD GLN A 79 5.266 4.833 5.612 1.00 0.00 C ATOM 1217 OE1 GLN A 79 5.958 4.866 6.628 1.00 0.00 O ATOM 1218 NE2 GLN A 79 4.053 4.306 5.602 1.00 0.00 N ATOM 0 H GLN A 79 3.289 6.900 1.337 1.00 0.00 H new ATOM 0 HA GLN A 79 5.947 7.418 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.032 6.606 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.048 5.121 3.075 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.320 4.628 3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.492 6.201 4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.508 4.297 4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.662 3.909 6.457 1.00 0.00 H new ATOM 1227 N LEU A 80 6.904 6.165 0.591 1.00 0.00 N ATOM 1228 CA LEU A 80 7.560 5.327 -0.395 1.00 0.00 C ATOM 1229 C LEU A 80 8.366 4.246 0.301 1.00 0.00 C ATOM 1230 O LEU A 80 9.350 4.535 0.984 1.00 0.00 O ATOM 1231 CB LEU A 80 8.463 6.153 -1.308 1.00 0.00 C ATOM 1232 CG LEU A 80 9.165 5.348 -2.400 1.00 0.00 C ATOM 1233 CD1 LEU A 80 8.149 4.735 -3.349 1.00 0.00 C ATOM 1234 CD2 LEU A 80 10.141 6.222 -3.166 1.00 0.00 C ATOM 0 H LEU A 80 7.368 7.055 0.774 1.00 0.00 H new ATOM 0 HA LEU A 80 6.792 4.862 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.866 6.935 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.218 6.650 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 80 9.724 4.543 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.668 4.166 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.486 4.072 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.563 5.527 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.630 5.630 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.603 7.049 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.892 6.616 -2.481 1.00 0.00 H new ATOM 1246 N ILE A 81 7.943 3.007 0.133 1.00 0.00 N ATOM 1247 CA ILE A 81 8.592 1.893 0.793 1.00 0.00 C ATOM 1248 C ILE A 81 9.361 1.043 -0.204 1.00 0.00 C ATOM 1249 O ILE A 81 8.850 0.673 -1.263 1.00 0.00 O ATOM 1250 CB ILE A 81 7.582 1.025 1.565 1.00 0.00 C ATOM 1251 CG1 ILE A 81 6.441 0.579 0.648 1.00 0.00 C ATOM 1252 CG2 ILE A 81 7.042 1.805 2.753 1.00 0.00 C ATOM 1253 CD1 ILE A 81 5.464 -0.373 1.304 1.00 0.00 C ATOM 0 H ILE A 81 7.152 2.748 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 81 9.297 2.310 1.512 1.00 0.00 H new ATOM 0 HB ILE A 81 8.088 0.131 1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.899 1.460 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 81 6.864 0.099 -0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.327 1.189 3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.865 2.077 3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.546 2.709 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.685 -0.643 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.991 -1.272 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.012 0.110 2.170 1.00 0.00 H new ATOM 1265 N GLN A 82 10.598 0.757 0.141 1.00 0.00 N ATOM 1266 CA GLN A 82 11.477 -0.017 -0.715 1.00 0.00 C ATOM 1267 C GLN A 82 11.200 -1.507 -0.521 1.00 0.00 C ATOM 1268 O GLN A 82 11.662 -2.100 0.453 1.00 0.00 O ATOM 1269 CB GLN A 82 12.938 0.298 -0.363 1.00 0.00 C ATOM 1270 CG GLN A 82 13.889 0.367 -1.552 1.00 0.00 C ATOM 1271 CD GLN A 82 13.833 -0.862 -2.433 1.00 0.00 C ATOM 1272 OE1 GLN A 82 14.529 -1.846 -2.193 1.00 0.00 O ATOM 1273 NE2 GLN A 82 13.030 -0.798 -3.475 1.00 0.00 N ATOM 0 H GLN A 82 11.024 1.052 1.020 1.00 0.00 H new ATOM 0 HA GLN A 82 11.296 0.244 -1.758 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.971 1.251 0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.301 -0.462 0.329 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.649 1.246 -2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.908 0.498 -1.187 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.470 0.039 -3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.968 -1.585 -4.121 1.00 0.00 H new ATOM 1282 N THR A 83 10.427 -2.107 -1.420 1.00 0.00 N ATOM 1283 CA THR A 83 10.112 -3.523 -1.287 1.00 0.00 C ATOM 1284 C THR A 83 11.082 -4.354 -2.124 1.00 0.00 C ATOM 1285 O THR A 83 11.757 -3.817 -3.007 1.00 0.00 O ATOM 1286 CB THR A 83 8.657 -3.837 -1.719 1.00 0.00 C ATOM 1287 OG1 THR A 83 8.587 -4.070 -3.130 1.00 0.00 O ATOM 1288 CG2 THR A 83 7.722 -2.691 -1.355 1.00 0.00 C ATOM 0 H THR A 83 10.015 -1.646 -2.232 1.00 0.00 H new ATOM 0 HA THR A 83 10.212 -3.782 -0.233 1.00 0.00 H new ATOM 0 HB THR A 83 8.344 -4.736 -1.188 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.502 -3.214 -3.599 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.707 -2.936 -1.669 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.741 -2.535 -0.276 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.048 -1.781 -1.859 1.00 0.00 H new ATOM 1296 N PRO A 84 11.176 -5.672 -1.862 1.00 0.00 N ATOM 1297 CA PRO A 84 12.017 -6.578 -2.657 1.00 0.00 C ATOM 1298 C PRO A 84 11.589 -6.619 -4.123 1.00 0.00 C ATOM 1299 O PRO A 84 12.342 -7.052 -4.994 1.00 0.00 O ATOM 1300 CB PRO A 84 11.806 -7.946 -2.001 1.00 0.00 C ATOM 1301 CG PRO A 84 11.305 -7.644 -0.631 1.00 0.00 C ATOM 1302 CD PRO A 84 10.509 -6.377 -0.755 1.00 0.00 C ATOM 0 HA PRO A 84 13.059 -6.259 -2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.088 -8.545 -2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.736 -8.514 -1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.687 -8.458 -0.253 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.131 -7.519 0.069 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.461 -6.579 -0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.532 -5.795 0.166 1.00 0.00 H new ATOM 1310 N TYR A 85 10.377 -6.148 -4.386 1.00 0.00 N ATOM 1311 CA TYR A 85 9.828 -6.129 -5.734 1.00 0.00 C ATOM 1312 C TYR A 85 10.013 -4.745 -6.351 1.00 0.00 C ATOM 1313 O TYR A 85 9.591 -4.488 -7.480 1.00 0.00 O ATOM 1314 CB TYR A 85 8.340 -6.484 -5.698 1.00 0.00 C ATOM 1315 CG TYR A 85 8.027 -7.729 -4.895 1.00 0.00 C ATOM 1316 CD1 TYR A 85 8.080 -8.988 -5.478 1.00 0.00 C ATOM 1317 CD2 TYR A 85 7.680 -7.641 -3.553 1.00 0.00 C ATOM 1318 CE1 TYR A 85 7.798 -10.125 -4.746 1.00 0.00 C ATOM 1319 CE2 TYR A 85 7.396 -8.774 -2.814 1.00 0.00 C ATOM 1320 CZ TYR A 85 7.456 -10.013 -3.415 1.00 0.00 C ATOM 1321 OH TYR A 85 7.180 -11.144 -2.682 1.00 0.00 O ATOM 0 H TYR A 85 9.751 -5.771 -3.675 1.00 0.00 H new ATOM 0 HA TYR A 85 10.355 -6.865 -6.341 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.786 -5.644 -5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.985 -6.623 -6.719 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.346 -9.080 -6.521 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.631 -6.672 -3.079 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.845 -11.097 -5.214 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.128 -8.689 -1.771 1.00 0.00 H new ATOM 0 HH TYR A 85 6.389 -10.988 -2.125 1.00 0.00 H new ATOM 1331 N GLY A 86 10.650 -3.861 -5.599 1.00 0.00 N ATOM 1332 CA GLY A 86 10.828 -2.493 -6.036 1.00 0.00 C ATOM 1333 C GLY A 86 10.143 -1.526 -5.095 1.00 0.00 C ATOM 1334 O GLY A 86 9.246 -1.916 -4.352 1.00 0.00 O ATOM 0 H GLY A 86 11.051 -4.070 -4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.892 -2.261 -6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.425 -2.374 -7.042 1.00 0.00 H new ATOM 1338 N SER A 87 10.565 -0.277 -5.102 1.00 0.00 N ATOM 1339 CA SER A 87 9.966 0.726 -4.245 1.00 0.00 C ATOM 1340 C SER A 87 8.515 0.978 -4.650 1.00 0.00 C ATOM 1341 O SER A 87 8.223 1.267 -5.811 1.00 0.00 O ATOM 1342 CB SER A 87 10.780 2.010 -4.313 1.00 0.00 C ATOM 1343 OG SER A 87 12.128 1.777 -3.936 1.00 0.00 O ATOM 0 H SER A 87 11.322 0.068 -5.693 1.00 0.00 H new ATOM 0 HA SER A 87 9.968 0.365 -3.217 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.746 2.413 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.339 2.760 -3.656 1.00 0.00 H new ATOM 0 HG SER A 87 12.632 2.616 -3.989 1.00 0.00 H new ATOM 1349 N ALA A 88 7.615 0.854 -3.691 1.00 0.00 N ATOM 1350 CA ALA A 88 6.193 1.010 -3.948 1.00 0.00 C ATOM 1351 C ALA A 88 5.612 2.121 -3.088 1.00 0.00 C ATOM 1352 O ALA A 88 6.105 2.394 -1.991 1.00 0.00 O ATOM 1353 CB ALA A 88 5.467 -0.302 -3.695 1.00 0.00 C ATOM 0 H ALA A 88 7.845 0.644 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 88 6.056 1.285 -4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.403 -0.172 -3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.866 -1.072 -4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.611 -0.603 -2.657 1.00 0.00 H new ATOM 1359 N TRP A 89 4.576 2.770 -3.592 1.00 0.00 N ATOM 1360 CA TRP A 89 3.935 3.854 -2.866 1.00 0.00 C ATOM 1361 C TRP A 89 2.937 3.324 -1.843 1.00 0.00 C ATOM 1362 O TRP A 89 2.038 2.548 -2.175 1.00 0.00 O ATOM 1363 CB TRP A 89 3.231 4.805 -3.831 1.00 0.00 C ATOM 1364 CG TRP A 89 4.169 5.557 -4.708 1.00 0.00 C ATOM 1365 CD1 TRP A 89 4.418 5.325 -6.021 1.00 0.00 C ATOM 1366 CD2 TRP A 89 4.986 6.668 -4.327 1.00 0.00 C ATOM 1367 NE1 TRP A 89 5.336 6.229 -6.488 1.00 0.00 N ATOM 1368 CE2 TRP A 89 5.704 7.063 -5.467 1.00 0.00 C ATOM 1369 CE3 TRP A 89 5.177 7.369 -3.133 1.00 0.00 C ATOM 1370 CZ2 TRP A 89 6.601 8.127 -5.452 1.00 0.00 C ATOM 1371 CZ3 TRP A 89 6.069 8.424 -3.116 1.00 0.00 C ATOM 1372 CH2 TRP A 89 6.770 8.795 -4.270 1.00 0.00 C ATOM 0 H TRP A 89 4.161 2.565 -4.501 1.00 0.00 H new ATOM 0 HA TRP A 89 4.715 4.398 -2.334 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.541 4.235 -4.453 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.632 5.514 -3.259 1.00 0.00 H new ATOM 0 HD1 TRP A 89 3.961 4.544 -6.611 1.00 0.00 H new ATOM 0 HE1 TRP A 89 5.689 6.273 -7.444 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.637 7.091 -2.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.144 8.415 -6.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.228 8.971 -2.198 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.459 9.626 -4.226 1.00 0.00 H new ATOM 1383 N MET A 90 3.130 3.725 -0.598 1.00 0.00 N ATOM 1384 CA MET A 90 2.182 3.441 0.468 1.00 0.00 C ATOM 1385 C MET A 90 1.505 4.739 0.903 1.00 0.00 C ATOM 1386 O MET A 90 2.171 5.744 1.123 1.00 0.00 O ATOM 1387 CB MET A 90 2.911 2.805 1.658 1.00 0.00 C ATOM 1388 CG MET A 90 1.992 2.304 2.760 1.00 0.00 C ATOM 1389 SD MET A 90 2.913 1.599 4.141 1.00 0.00 S ATOM 1390 CE MET A 90 1.581 1.114 5.231 1.00 0.00 C ATOM 0 H MET A 90 3.947 4.256 -0.297 1.00 0.00 H new ATOM 0 HA MET A 90 1.426 2.744 0.106 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.513 1.972 1.297 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.600 3.537 2.080 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.374 3.127 3.119 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.316 1.552 2.354 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.995 0.710 6.154 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.964 1.983 5.460 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.971 0.354 4.744 1.00 0.00 H new ATOM 1400 N TYR A 91 0.187 4.728 1.007 1.00 0.00 N ATOM 1401 CA TYR A 91 -0.542 5.910 1.435 1.00 0.00 C ATOM 1402 C TYR A 91 -1.079 5.722 2.846 1.00 0.00 C ATOM 1403 O TYR A 91 -1.991 4.927 3.079 1.00 0.00 O ATOM 1404 CB TYR A 91 -1.692 6.234 0.471 1.00 0.00 C ATOM 1405 CG TYR A 91 -1.247 6.847 -0.842 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -0.942 8.202 -0.932 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -1.144 6.076 -1.992 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -0.541 8.768 -2.129 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -0.748 6.634 -3.193 1.00 0.00 C ATOM 1410 CZ TYR A 91 -0.447 7.979 -3.256 1.00 0.00 C ATOM 1411 OH TYR A 91 -0.071 8.537 -4.456 1.00 0.00 O ATOM 0 H TYR A 91 -0.398 3.918 0.802 1.00 0.00 H new ATOM 0 HA TYR A 91 0.153 6.750 1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.246 5.318 0.263 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.382 6.919 0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.020 8.823 -0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.377 5.022 -1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.303 9.820 -2.180 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.675 6.020 -4.078 1.00 0.00 H new ATOM 0 HH TYR A 91 0.114 9.491 -4.329 1.00 0.00 H new ATOM 1421 N VAL A 92 -0.499 6.445 3.790 1.00 0.00 N ATOM 1422 CA VAL A 92 -0.972 6.413 5.157 1.00 0.00 C ATOM 1423 C VAL A 92 -2.186 7.314 5.291 1.00 0.00 C ATOM 1424 O VAL A 92 -2.150 8.482 4.885 1.00 0.00 O ATOM 1425 CB VAL A 92 0.135 6.825 6.161 1.00 0.00 C ATOM 1426 CG1 VAL A 92 -0.452 7.427 7.429 1.00 0.00 C ATOM 1427 CG2 VAL A 92 0.987 5.620 6.520 1.00 0.00 C ATOM 0 H VAL A 92 0.299 7.060 3.631 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.252 5.388 5.400 1.00 0.00 H new ATOM 0 HB VAL A 92 0.751 7.584 5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.355 7.703 8.108 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.033 8.314 7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.099 6.696 7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.762 5.919 7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.360 4.853 6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.452 5.222 5.618 1.00 0.00 H new ATOM 1437 N TYR A 93 -3.266 6.753 5.820 1.00 0.00 N ATOM 1438 CA TYR A 93 -4.502 7.493 6.007 1.00 0.00 C ATOM 1439 C TYR A 93 -4.239 8.689 6.913 1.00 0.00 C ATOM 1440 O TYR A 93 -4.090 8.545 8.123 1.00 0.00 O ATOM 1441 CB TYR A 93 -5.578 6.579 6.598 1.00 0.00 C ATOM 1442 CG TYR A 93 -6.988 6.996 6.244 1.00 0.00 C ATOM 1443 CD1 TYR A 93 -7.669 7.956 6.982 1.00 0.00 C ATOM 1444 CD2 TYR A 93 -7.637 6.421 5.161 1.00 0.00 C ATOM 1445 CE1 TYR A 93 -8.957 8.330 6.646 1.00 0.00 C ATOM 1446 CE2 TYR A 93 -8.922 6.790 4.821 1.00 0.00 C ATOM 1447 CZ TYR A 93 -9.578 7.742 5.564 1.00 0.00 C ATOM 1448 OH TYR A 93 -10.860 8.108 5.226 1.00 0.00 O ATOM 0 H TYR A 93 -3.308 5.782 6.128 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.864 7.856 5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.410 5.561 6.247 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.474 6.564 7.683 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.185 8.417 7.831 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.127 5.671 4.574 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.474 9.079 7.228 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.411 6.332 3.974 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.149 7.600 4.439 1.00 0.00 H new ATOM 1458 N GLN A 94 -4.148 9.865 6.303 1.00 0.00 N ATOM 1459 CA GLN A 94 -3.695 11.056 7.001 1.00 0.00 C ATOM 1460 C GLN A 94 -4.855 11.763 7.690 1.00 0.00 C ATOM 1461 O GLN A 94 -4.654 12.628 8.543 1.00 0.00 O ATOM 1462 CB GLN A 94 -2.995 12.002 6.019 1.00 0.00 C ATOM 1463 CG GLN A 94 -1.965 12.900 6.682 1.00 0.00 C ATOM 1464 CD GLN A 94 -0.637 12.202 6.953 1.00 0.00 C ATOM 1465 OE1 GLN A 94 0.405 12.849 7.034 1.00 0.00 O ATOM 1466 NE2 GLN A 94 -0.646 10.878 7.047 1.00 0.00 N ATOM 0 H GLN A 94 -4.384 10.017 5.322 1.00 0.00 H new ATOM 0 HA GLN A 94 -2.985 10.755 7.771 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -2.507 11.413 5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.744 12.622 5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.788 13.768 6.046 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -2.370 13.272 7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.526 10.368 6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.227 10.371 7.190 1.00 0.00 H new ATOM 1475 N ARG A 95 -6.068 11.393 7.313 1.00 0.00 N ATOM 1476 CA ARG A 95 -7.256 11.924 7.959 1.00 0.00 C ATOM 1477 C ARG A 95 -7.556 11.097 9.205 1.00 0.00 C ATOM 1478 O ARG A 95 -7.005 10.007 9.357 1.00 0.00 O ATOM 1479 CB ARG A 95 -8.450 11.894 7.001 1.00 0.00 C ATOM 1480 CG ARG A 95 -8.174 12.552 5.663 1.00 0.00 C ATOM 1481 CD ARG A 95 -9.456 12.756 4.876 1.00 0.00 C ATOM 1482 NE ARG A 95 -10.264 11.534 4.807 1.00 0.00 N ATOM 1483 CZ ARG A 95 -11.593 11.530 4.707 1.00 0.00 C ATOM 1484 NH1 ARG A 95 -12.263 12.676 4.660 1.00 0.00 N ATOM 1485 NH2 ARG A 95 -12.254 10.379 4.673 1.00 0.00 N ATOM 0 H ARG A 95 -6.255 10.727 6.563 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.078 12.961 8.243 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.744 10.858 6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.296 12.393 7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.685 13.513 5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.485 11.935 5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.041 13.551 5.338 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.212 13.086 3.866 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.781 10.636 4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.760 13.563 4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.280 12.669 4.583 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.745 9.497 4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.271 10.377 4.596 1.00 0.00 H new ATOM 1499 N PRO A 96 -8.409 11.602 10.120 1.00 0.00 N ATOM 1500 CA PRO A 96 -8.791 10.871 11.332 1.00 0.00 C ATOM 1501 C PRO A 96 -9.201 9.428 11.041 1.00 0.00 C ATOM 1502 O PRO A 96 -10.193 9.169 10.357 1.00 0.00 O ATOM 1503 CB PRO A 96 -9.976 11.674 11.868 1.00 0.00 C ATOM 1504 CG PRO A 96 -9.726 13.062 11.395 1.00 0.00 C ATOM 1505 CD PRO A 96 -9.055 12.929 10.055 1.00 0.00 C ATOM 0 HA PRO A 96 -7.963 10.787 12.036 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -10.922 11.289 11.487 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.028 11.628 12.956 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.659 13.619 11.311 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.093 13.605 12.096 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.775 12.985 9.239 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.326 13.722 9.891 1.00 0.00 H new ATOM 1513 N VAL A 97 -8.422 8.493 11.565 1.00 0.00 N ATOM 1514 CA VAL A 97 -8.653 7.075 11.331 1.00 0.00 C ATOM 1515 C VAL A 97 -9.647 6.522 12.344 1.00 0.00 C ATOM 1516 O VAL A 97 -10.046 5.359 12.281 1.00 0.00 O ATOM 1517 CB VAL A 97 -7.335 6.273 11.413 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -6.371 6.711 10.319 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -6.692 6.434 12.783 1.00 0.00 C ATOM 0 H VAL A 97 -7.618 8.693 12.160 1.00 0.00 H new ATOM 0 HA VAL A 97 -9.063 6.970 10.327 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.569 5.219 11.265 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.449 6.134 10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.827 6.542 9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.146 7.771 10.435 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.765 5.861 12.820 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.475 7.487 12.962 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.375 6.069 13.550 1.00 0.00 H new ATOM 1529 N ASP A 98 -10.039 7.383 13.275 1.00 0.00 N ATOM 1530 CA ASP A 98 -10.969 7.030 14.346 1.00 0.00 C ATOM 1531 C ASP A 98 -12.336 6.618 13.815 1.00 0.00 C ATOM 1532 O ASP A 98 -13.153 6.033 14.527 1.00 0.00 O ATOM 1533 CB ASP A 98 -11.092 8.212 15.315 1.00 0.00 C ATOM 1534 CG ASP A 98 -12.012 7.943 16.488 1.00 0.00 C ATOM 1535 OD1 ASP A 98 -11.546 7.380 17.499 1.00 0.00 O ATOM 1536 OD2 ASP A 98 -13.200 8.327 16.419 1.00 0.00 O ATOM 0 H ASP A 98 -9.720 8.351 13.310 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.570 6.162 14.871 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.101 8.466 15.692 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.458 9.082 14.769 1.00 0.00 H new ATOM 1541 N GLY A 99 -12.546 6.879 12.553 1.00 0.00 N ATOM 1542 CA GLY A 99 -13.833 6.631 11.947 1.00 0.00 C ATOM 1543 C GLY A 99 -13.814 5.421 11.044 1.00 0.00 C ATOM 1544 O GLY A 99 -14.702 5.242 10.208 1.00 0.00 O ATOM 0 H GLY A 99 -11.844 7.264 11.921 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.579 6.487 12.729 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.137 7.506 11.373 1.00 0.00 H new ATOM 1548 N LEU A 100 -12.792 4.598 11.205 1.00 0.00 N ATOM 1549 CA LEU A 100 -12.631 3.409 10.389 1.00 0.00 C ATOM 1550 C LEU A 100 -12.607 2.170 11.270 1.00 0.00 C ATOM 1551 O LEU A 100 -12.550 2.271 12.498 1.00 0.00 O ATOM 1552 CB LEU A 100 -11.329 3.471 9.574 1.00 0.00 C ATOM 1553 CG LEU A 100 -11.284 4.488 8.422 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -11.276 5.920 8.924 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -10.066 4.235 7.551 1.00 0.00 C ATOM 0 H LEU A 100 -12.057 4.734 11.899 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.476 3.359 9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.510 3.695 10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.138 2.480 9.161 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.190 4.353 7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.244 6.603 8.075 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.179 6.107 9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.400 6.080 9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.043 4.961 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.162 4.335 8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.117 3.228 7.137 1.00 0.00 H new ATOM 1567 N LYS A 101 -12.654 1.009 10.640 1.00 0.00 N ATOM 1568 CA LYS A 101 -12.505 -0.252 11.345 1.00 0.00 C ATOM 1569 C LYS A 101 -11.035 -0.633 11.374 1.00 0.00 C ATOM 1570 O LYS A 101 -10.348 -0.539 10.357 1.00 0.00 O ATOM 1571 CB LYS A 101 -13.321 -1.359 10.666 1.00 0.00 C ATOM 1572 CG LYS A 101 -14.823 -1.113 10.676 1.00 0.00 C ATOM 1573 CD LYS A 101 -15.580 -2.283 10.061 1.00 0.00 C ATOM 1574 CE LYS A 101 -17.083 -2.049 10.069 1.00 0.00 C ATOM 1575 NZ LYS A 101 -17.832 -3.227 9.553 1.00 0.00 N ATOM 0 H LYS A 101 -12.795 0.914 9.634 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.878 -0.135 12.363 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.987 -1.462 9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -13.115 -2.306 11.164 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -15.161 -0.957 11.700 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -15.048 -0.201 10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.241 -2.437 9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -15.351 -3.195 10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.410 -1.828 11.085 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.317 -1.175 9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.852 -3.027 9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -17.539 -3.423 8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -17.629 -4.055 10.148 1.00 0.00 H new ATOM 1589 N LEU A 102 -10.551 -1.048 12.530 1.00 0.00 N ATOM 1590 CA LEU A 102 -9.139 -1.359 12.690 1.00 0.00 C ATOM 1591 C LEU A 102 -8.901 -2.866 12.672 1.00 0.00 C ATOM 1592 O LEU A 102 -9.386 -3.596 13.539 1.00 0.00 O ATOM 1593 CB LEU A 102 -8.609 -0.756 13.997 1.00 0.00 C ATOM 1594 CG LEU A 102 -7.181 -1.163 14.374 1.00 0.00 C ATOM 1595 CD1 LEU A 102 -6.193 -0.737 13.299 1.00 0.00 C ATOM 1596 CD2 LEU A 102 -6.797 -0.567 15.717 1.00 0.00 C ATOM 0 H LEU A 102 -11.112 -1.178 13.372 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.599 -0.921 11.850 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.651 0.330 13.920 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.278 -1.044 14.808 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.147 -2.250 14.453 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.186 -1.037 13.590 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.455 -1.214 12.354 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.228 0.346 13.181 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.780 -0.866 15.970 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.853 0.520 15.662 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.482 -0.927 16.484 1.00 0.00 H new ATOM 1608 N ILE A 103 -8.152 -3.328 11.683 1.00 0.00 N ATOM 1609 CA ILE A 103 -7.754 -4.709 11.624 1.00 0.00 C ATOM 1610 C ILE A 103 -6.352 -4.832 12.193 1.00 0.00 C ATOM 1611 O ILE A 103 -5.355 -4.587 11.506 1.00 0.00 O ATOM 1612 CB ILE A 103 -7.784 -5.276 10.187 1.00 0.00 C ATOM 1613 CG1 ILE A 103 -9.163 -5.069 9.554 1.00 0.00 C ATOM 1614 CG2 ILE A 103 -7.425 -6.755 10.206 1.00 0.00 C ATOM 1615 CD1 ILE A 103 -9.256 -5.518 8.104 1.00 0.00 C ATOM 0 H ILE A 103 -7.810 -2.756 10.910 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.467 -5.291 12.208 1.00 0.00 H new ATOM 0 HB ILE A 103 -7.050 -4.741 9.585 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.905 -5.613 10.139 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.423 -4.012 9.613 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -7.448 -7.148 9.190 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.425 -6.881 10.621 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -8.144 -7.296 10.821 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -10.264 -5.337 7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.541 -4.957 7.503 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.030 -6.582 8.037 1.00 0.00 H new ATOM 1627 N GLU A 104 -6.307 -5.164 13.472 1.00 0.00 N ATOM 1628 CA GLU A 104 -5.066 -5.357 14.213 1.00 0.00 C ATOM 1629 C GLU A 104 -4.190 -6.426 13.567 1.00 0.00 C ATOM 1630 O GLU A 104 -2.979 -6.460 13.775 1.00 0.00 O ATOM 1631 CB GLU A 104 -5.413 -5.767 15.645 1.00 0.00 C ATOM 1632 CG GLU A 104 -6.401 -6.923 15.700 1.00 0.00 C ATOM 1633 CD GLU A 104 -6.904 -7.206 17.094 1.00 0.00 C ATOM 1634 OE1 GLU A 104 -7.862 -6.536 17.528 1.00 0.00 O ATOM 1635 OE2 GLU A 104 -6.352 -8.108 17.759 1.00 0.00 O ATOM 0 H GLU A 104 -7.144 -5.310 14.037 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.504 -4.423 14.208 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.500 -6.049 16.169 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.832 -4.910 16.173 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.249 -6.699 15.053 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.925 -7.819 15.303 1.00 0.00 H new ATOM 1642 N SER A 105 -4.814 -7.294 12.786 1.00 0.00 N ATOM 1643 CA SER A 105 -4.109 -8.403 12.162 1.00 0.00 C ATOM 1644 C SER A 105 -3.178 -7.904 11.060 1.00 0.00 C ATOM 1645 O SER A 105 -2.006 -8.280 11.001 1.00 0.00 O ATOM 1646 CB SER A 105 -5.111 -9.398 11.578 1.00 0.00 C ATOM 1647 OG SER A 105 -6.038 -9.835 12.556 1.00 0.00 O ATOM 0 H SER A 105 -5.810 -7.252 12.569 1.00 0.00 H new ATOM 0 HA SER A 105 -3.509 -8.898 12.925 1.00 0.00 H new ATOM 0 HB2 SER A 105 -5.646 -8.934 10.750 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.577 -10.257 11.171 1.00 0.00 H new ATOM 0 HG SER A 105 -6.369 -10.726 12.318 1.00 0.00 H new ATOM 1653 N GLY A 106 -3.704 -7.028 10.213 1.00 0.00 N ATOM 1654 CA GLY A 106 -2.984 -6.625 9.021 1.00 0.00 C ATOM 1655 C GLY A 106 -3.465 -7.395 7.810 1.00 0.00 C ATOM 1656 O GLY A 106 -2.972 -7.212 6.697 1.00 0.00 O ATOM 0 H GLY A 106 -4.617 -6.589 10.331 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.119 -5.556 8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.916 -6.793 9.163 1.00 0.00 H new ATOM 1660 N ASP A 107 -4.422 -8.279 8.049 1.00 0.00 N ATOM 1661 CA ASP A 107 -5.051 -9.049 6.990 1.00 0.00 C ATOM 1662 C ASP A 107 -6.381 -8.420 6.610 1.00 0.00 C ATOM 1663 O ASP A 107 -6.903 -7.575 7.328 1.00 0.00 O ATOM 1664 CB ASP A 107 -5.302 -10.495 7.438 1.00 0.00 C ATOM 1665 CG ASP A 107 -4.033 -11.294 7.650 1.00 0.00 C ATOM 1666 OD1 ASP A 107 -3.448 -11.212 8.750 1.00 0.00 O ATOM 1667 OD2 ASP A 107 -3.633 -12.028 6.723 1.00 0.00 O ATOM 0 H ASP A 107 -4.783 -8.482 8.981 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.378 -9.051 6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -5.874 -10.485 8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -5.916 -10.997 6.690 1.00 0.00 H new ATOM 1672 N TRP A 108 -6.917 -8.831 5.480 1.00 0.00 N ATOM 1673 CA TRP A 108 -8.254 -8.424 5.070 1.00 0.00 C ATOM 1674 C TRP A 108 -9.203 -9.539 5.424 1.00 0.00 C ATOM 1675 O TRP A 108 -10.246 -9.347 6.045 1.00 0.00 O ATOM 1676 CB TRP A 108 -8.322 -8.183 3.555 1.00 0.00 C ATOM 1677 CG TRP A 108 -7.022 -8.427 2.874 1.00 0.00 C ATOM 1678 CD1 TRP A 108 -6.723 -9.417 1.991 1.00 0.00 C ATOM 1679 CD2 TRP A 108 -5.832 -7.678 3.065 1.00 0.00 C ATOM 1680 NE1 TRP A 108 -5.405 -9.312 1.607 1.00 0.00 N ATOM 1681 CE2 TRP A 108 -4.839 -8.248 2.262 1.00 0.00 C ATOM 1682 CE3 TRP A 108 -5.525 -6.573 3.846 1.00 0.00 C ATOM 1683 CZ2 TRP A 108 -3.548 -7.740 2.222 1.00 0.00 C ATOM 1684 CZ3 TRP A 108 -4.255 -6.069 3.814 1.00 0.00 C ATOM 1685 CH2 TRP A 108 -3.271 -6.649 3.006 1.00 0.00 C ATOM 0 H TRP A 108 -6.447 -9.452 4.821 1.00 0.00 H new ATOM 0 HA TRP A 108 -8.516 -7.495 5.576 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -9.082 -8.834 3.122 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -8.638 -7.156 3.369 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -7.414 -10.171 1.644 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.928 -9.924 0.945 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -6.279 -6.117 4.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -2.789 -8.187 1.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.007 -5.211 4.421 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.276 -6.230 2.999 1.00 0.00 H new ATOM 1696 N LEU A 109 -8.792 -10.721 5.017 1.00 0.00 N ATOM 1697 CA LEU A 109 -9.539 -11.926 5.251 1.00 0.00 C ATOM 1698 C LEU A 109 -8.891 -12.713 6.381 1.00 0.00 C ATOM 1699 O LEU A 109 -8.113 -13.641 6.146 1.00 0.00 O ATOM 1700 CB LEU A 109 -9.602 -12.748 3.965 1.00 0.00 C ATOM 1701 CG LEU A 109 -10.265 -12.026 2.790 1.00 0.00 C ATOM 1702 CD1 LEU A 109 -9.901 -12.690 1.476 1.00 0.00 C ATOM 1703 CD2 LEU A 109 -11.775 -12.000 2.967 1.00 0.00 C ATOM 0 H LEU A 109 -7.920 -10.868 4.509 1.00 0.00 H new ATOM 0 HA LEU A 109 -10.559 -11.682 5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -8.589 -13.031 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.147 -13.671 4.164 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.897 -11.000 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.383 -12.160 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.820 -12.661 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.238 -13.727 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.231 -11.483 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -12.153 -13.021 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.024 -11.477 3.890 1.00 0.00 H new ATOM 1715 N ASP A 110 -9.176 -12.290 7.609 1.00 0.00 N ATOM 1716 CA ASP A 110 -8.587 -12.904 8.796 1.00 0.00 C ATOM 1717 C ASP A 110 -9.138 -14.317 8.981 1.00 0.00 C ATOM 1718 O ASP A 110 -8.537 -15.284 8.505 1.00 0.00 O ATOM 1719 CB ASP A 110 -8.860 -12.030 10.029 1.00 0.00 C ATOM 1720 CG ASP A 110 -8.114 -12.485 11.268 1.00 0.00 C ATOM 1721 OD1 ASP A 110 -6.941 -12.095 11.437 1.00 0.00 O ATOM 1722 OD2 ASP A 110 -8.710 -13.200 12.097 1.00 0.00 O ATOM 0 H ASP A 110 -9.815 -11.520 7.809 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.507 -12.978 8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.581 -11.001 9.804 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -9.930 -12.032 10.237 1.00 0.00 H new ATOM 1727 N ARG A 111 -10.285 -14.426 9.659 1.00 0.00 N ATOM 1728 CA ARG A 111 -11.039 -15.658 9.749 1.00 0.00 C ATOM 1729 C ARG A 111 -10.376 -16.683 10.644 1.00 0.00 C ATOM 1730 O ARG A 111 -9.154 -16.813 10.708 1.00 0.00 O ATOM 1731 CB ARG A 111 -11.325 -16.264 8.371 1.00 0.00 C ATOM 1732 CG ARG A 111 -12.333 -15.469 7.549 1.00 0.00 C ATOM 1733 CD ARG A 111 -13.550 -15.076 8.380 1.00 0.00 C ATOM 1734 NE ARG A 111 -14.080 -16.197 9.163 1.00 0.00 N ATOM 1735 CZ ARG A 111 -15.102 -16.095 10.017 1.00 0.00 C ATOM 1736 NH1 ARG A 111 -15.725 -14.936 10.183 1.00 0.00 N ATOM 1737 NH2 ARG A 111 -15.478 -17.153 10.723 1.00 0.00 N ATOM 0 H ARG A 111 -10.711 -13.648 10.162 1.00 0.00 H new ATOM 0 HA ARG A 111 -11.991 -15.385 10.205 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -10.391 -16.335 7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.697 -17.280 8.501 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -11.855 -14.572 7.155 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -12.653 -16.062 6.692 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -13.279 -14.263 9.053 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -14.330 -14.697 7.720 1.00 0.00 H new ATOM 0 HE ARG A 111 -13.641 -17.111 9.048 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -15.424 -14.115 9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -16.505 -14.865 10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -14.987 -18.040 10.613 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -16.258 -17.079 11.376 1.00 0.00 H new ATOM 1751 N ASP A 112 -11.236 -17.360 11.371 1.00 0.00 N ATOM 1752 CA ASP A 112 -10.889 -18.544 12.155 1.00 0.00 C ATOM 1753 C ASP A 112 -9.876 -19.430 11.427 1.00 0.00 C ATOM 1754 O ASP A 112 -8.853 -19.813 11.997 1.00 0.00 O ATOM 1755 CB ASP A 112 -12.164 -19.353 12.453 1.00 0.00 C ATOM 1756 CG ASP A 112 -12.863 -19.855 11.194 1.00 0.00 C ATOM 1757 OD1 ASP A 112 -13.605 -19.074 10.563 1.00 0.00 O ATOM 1758 OD2 ASP A 112 -12.652 -21.027 10.809 1.00 0.00 O ATOM 0 H ASP A 112 -12.221 -17.104 11.441 1.00 0.00 H new ATOM 0 HA ASP A 112 -10.430 -18.209 13.085 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.907 -20.205 13.083 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -12.856 -18.732 13.022 1.00 0.00 H new ATOM 1763 N LYS A 113 -10.185 -19.746 10.168 1.00 0.00 N ATOM 1764 CA LYS A 113 -9.336 -20.581 9.322 1.00 0.00 C ATOM 1765 C LYS A 113 -9.217 -21.984 9.907 1.00 0.00 C ATOM 1766 O LYS A 113 -8.318 -22.749 9.569 1.00 0.00 O ATOM 1767 CB LYS A 113 -7.961 -19.942 9.168 1.00 0.00 C ATOM 1768 CG LYS A 113 -7.300 -20.225 7.833 1.00 0.00 C ATOM 1769 CD LYS A 113 -6.022 -19.417 7.673 1.00 0.00 C ATOM 1770 CE LYS A 113 -5.475 -19.480 6.254 1.00 0.00 C ATOM 1771 NZ LYS A 113 -6.385 -18.833 5.270 1.00 0.00 N ATOM 0 H LYS A 113 -11.037 -19.427 9.706 1.00 0.00 H new ATOM 0 HA LYS A 113 -9.793 -20.662 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.056 -18.864 9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.312 -20.301 9.967 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -7.074 -21.288 7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.990 -19.985 7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.215 -18.378 7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.269 -19.790 8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -4.501 -18.992 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.320 -20.522 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.869 -18.656 4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.193 -19.459 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.729 -17.931 5.656 1.00 0.00 H new TER 1785 LYS A 113