USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 760 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 106 HIS : no HD1:sc= -0.281 K(o=-0.57,f=-0.0009) USER MOD Set 1.2: A 110 HIS : no HD1:sc= -0.284 X(o=-0.57,f=-0.73) USER MOD Set 2.1: A 66 LYS NZ :NH3+ -178:sc= -0.0456 (180deg=-0.0251) USER MOD Set 2.2: A 92 MET CE :methyl -145:sc= -0.146 (180deg=-0.985) USER MOD Single : A 26 THR OG1 : rot -27:sc= 0.375 USER MOD Single : A 27 SER OG : rot -175:sc= 1.08 USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= -0.0661 (180deg=-0.455) USER MOD Single : A 29 GLN : amide:sc= -0.0557 X(o=-0.056,f=0.0034) USER MOD Single : A 36 LYS NZ :NH3+ -108:sc= -0.429 (180deg=-2.2!) USER MOD Single : A 42 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.41) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -4.29! C(o=-4.3!,f=-5.4!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.17) USER MOD Single : A 51 ASN : amide:sc= -0.0661 K(o=-0.066,f=-1.3!) USER MOD Single : A 52 ASN : amide:sc= -1.01 X(o=-1,f=-0.87) USER MOD Single : A 54 LYS NZ :NH3+ 151:sc=0.000421 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.1 K(o=-2.1,f=-10!) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 0.281 (180deg=0.242) USER MOD Single : A 60 TYR OH : rot 30:sc= -4.02! USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0312) USER MOD Single : A 64 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.003) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 130:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 80 ASN : amide:sc= -0.611 X(o=-0.61,f=-0.7) USER MOD Single : A 83 CYS SG : rot -116:sc= 1.35 USER MOD Single : A 88 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 93 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.1!) USER MOD Single : A 94 ASN : amide:sc= -1.65 K(o=-1.6,f=-2.5) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0498) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 107 ASN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -7.194 -17.822 -9.303 1.00 0.00 N ATOM 2 CA THR A 26 -6.622 -16.646 -8.656 1.00 0.00 C ATOM 3 C THR A 26 -7.598 -15.476 -8.708 1.00 0.00 C ATOM 4 O THR A 26 -8.365 -15.341 -9.662 1.00 0.00 O ATOM 5 CB THR A 26 -5.304 -16.258 -9.329 1.00 0.00 C ATOM 6 OG1 THR A 26 -5.405 -16.378 -10.736 1.00 0.00 O ATOM 7 CG2 THR A 26 -4.131 -17.102 -8.879 1.00 0.00 C ATOM 0 HA THR A 26 -6.428 -16.891 -7.612 1.00 0.00 H new ATOM 0 HB THR A 26 -5.122 -15.225 -9.033 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.082 -17.050 -10.959 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.228 -16.775 -9.394 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.995 -16.992 -7.803 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.324 -18.149 -9.115 1.00 0.00 H new ATOM 15 N SER A 27 -7.568 -14.632 -7.682 1.00 0.00 N ATOM 16 CA SER A 27 -8.455 -13.478 -7.622 1.00 0.00 C ATOM 17 C SER A 27 -7.662 -12.177 -7.687 1.00 0.00 C ATOM 18 O SER A 27 -6.438 -12.177 -7.554 1.00 0.00 O ATOM 19 CB SER A 27 -9.293 -13.517 -6.343 1.00 0.00 C ATOM 20 OG SER A 27 -10.631 -13.123 -6.597 1.00 0.00 O ATOM 0 H SER A 27 -6.941 -14.726 -6.883 1.00 0.00 H new ATOM 0 HA SER A 27 -9.121 -13.519 -8.484 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.280 -14.524 -5.927 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.852 -12.858 -5.595 1.00 0.00 H new ATOM 0 HG SER A 27 -11.123 -13.073 -5.751 1.00 0.00 H new ATOM 25 N LYS A 28 -8.368 -11.073 -7.892 1.00 0.00 N ATOM 26 CA LYS A 28 -7.732 -9.765 -7.974 1.00 0.00 C ATOM 27 C LYS A 28 -8.546 -8.723 -7.220 1.00 0.00 C ATOM 28 O LYS A 28 -9.704 -8.467 -7.552 1.00 0.00 O ATOM 29 CB LYS A 28 -7.569 -9.344 -9.436 1.00 0.00 C ATOM 30 CG LYS A 28 -6.230 -9.737 -10.037 1.00 0.00 C ATOM 31 CD LYS A 28 -6.067 -9.184 -11.444 1.00 0.00 C ATOM 32 CE LYS A 28 -4.642 -8.721 -11.699 1.00 0.00 C ATOM 33 NZ LYS A 28 -4.273 -7.560 -10.843 1.00 0.00 N ATOM 0 H LYS A 28 -9.382 -11.057 -8.005 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.746 -9.835 -7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.368 -9.793 -10.026 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.687 -8.263 -9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.423 -9.367 -9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.145 -10.823 -10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.337 -9.950 -12.171 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.753 -8.350 -11.590 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.954 -9.545 -11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.532 -8.448 -12.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.538 -6.998 -11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.112 -6.967 -10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.911 -7.903 -9.930 1.00 0.00 H new ATOM 47 N GLN A 29 -7.937 -8.120 -6.204 1.00 0.00 N ATOM 48 CA GLN A 29 -8.617 -7.104 -5.409 1.00 0.00 C ATOM 49 C GLN A 29 -7.932 -5.754 -5.559 1.00 0.00 C ATOM 50 O GLN A 29 -6.709 -5.671 -5.669 1.00 0.00 O ATOM 51 CB GLN A 29 -8.664 -7.512 -3.934 1.00 0.00 C ATOM 52 CG GLN A 29 -9.027 -8.972 -3.715 1.00 0.00 C ATOM 53 CD GLN A 29 -10.524 -9.211 -3.735 1.00 0.00 C ATOM 54 OE1 GLN A 29 -11.177 -9.046 -4.766 1.00 0.00 O ATOM 55 NE2 GLN A 29 -11.076 -9.601 -2.593 1.00 0.00 N ATOM 0 H GLN A 29 -6.979 -8.316 -5.913 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.639 -7.017 -5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.692 -7.317 -3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.389 -6.885 -3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.556 -9.579 -4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.623 -9.303 -2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.497 -9.725 -1.763 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.080 -9.777 -2.545 1.00 0.00 H new ATOM 64 N GLU A 30 -8.734 -4.697 -5.579 1.00 0.00 N ATOM 65 CA GLU A 30 -8.210 -3.350 -5.730 1.00 0.00 C ATOM 66 C GLU A 30 -8.872 -2.388 -4.747 1.00 0.00 C ATOM 67 O GLU A 30 -10.087 -2.428 -4.546 1.00 0.00 O ATOM 68 CB GLU A 30 -8.417 -2.876 -7.169 1.00 0.00 C ATOM 69 CG GLU A 30 -9.854 -2.490 -7.489 1.00 0.00 C ATOM 70 CD GLU A 30 -10.109 -2.379 -8.980 1.00 0.00 C ATOM 71 OE1 GLU A 30 -10.108 -3.425 -9.661 1.00 0.00 O ATOM 72 OE2 GLU A 30 -10.310 -1.247 -9.464 1.00 0.00 O ATOM 0 H GLU A 30 -9.749 -4.749 -5.492 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.143 -3.365 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.770 -2.019 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.103 -3.666 -7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.529 -3.232 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.085 -1.537 -7.012 1.00 0.00 H new ATOM 79 N LEU A 31 -8.065 -1.525 -4.140 1.00 0.00 N ATOM 80 CA LEU A 31 -8.572 -0.553 -3.177 1.00 0.00 C ATOM 81 C LEU A 31 -8.347 0.872 -3.671 1.00 0.00 C ATOM 82 O LEU A 31 -7.211 1.317 -3.827 1.00 0.00 O ATOM 83 CB LEU A 31 -7.892 -0.747 -1.820 1.00 0.00 C ATOM 84 CG LEU A 31 -7.854 -2.192 -1.317 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.545 -2.859 -1.711 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.045 -2.236 0.192 1.00 0.00 C ATOM 0 H LEU A 31 -7.058 -1.478 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.644 -0.715 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.870 -0.374 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.408 -0.134 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.672 -2.741 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.535 -3.886 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.449 -2.860 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.711 -2.310 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.015 -3.271 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.248 -1.672 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.009 -1.797 0.450 1.00 0.00 H new ATOM 98 N ILE A 32 -9.436 1.583 -3.915 1.00 0.00 N ATOM 99 CA ILE A 32 -9.360 2.959 -4.392 1.00 0.00 C ATOM 100 C ILE A 32 -9.132 3.927 -3.234 1.00 0.00 C ATOM 101 O ILE A 32 -9.894 3.945 -2.267 1.00 0.00 O ATOM 102 CB ILE A 32 -10.648 3.370 -5.140 1.00 0.00 C ATOM 103 CG1 ILE A 32 -10.996 2.333 -6.210 1.00 0.00 C ATOM 104 CG2 ILE A 32 -10.478 4.745 -5.766 1.00 0.00 C ATOM 105 CD1 ILE A 32 -12.471 2.027 -6.300 1.00 0.00 C ATOM 0 H ILE A 32 -10.385 1.232 -3.791 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.517 3.009 -5.081 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.468 3.415 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.649 2.693 -7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.455 1.411 -5.999 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.393 5.022 -6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.271 5.477 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.648 4.723 -6.472 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.642 1.284 -7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.821 1.637 -5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.018 2.939 -6.542 1.00 0.00 H new ATOM 117 N LEU A 33 -8.080 4.732 -3.340 1.00 0.00 N ATOM 118 CA LEU A 33 -7.754 5.702 -2.301 1.00 0.00 C ATOM 119 C LEU A 33 -7.357 7.040 -2.912 1.00 0.00 C ATOM 120 O LEU A 33 -7.337 7.195 -4.133 1.00 0.00 O ATOM 121 CB LEU A 33 -6.614 5.172 -1.420 1.00 0.00 C ATOM 122 CG LEU A 33 -5.257 5.083 -2.109 1.00 0.00 C ATOM 123 CD1 LEU A 33 -4.340 6.202 -1.638 1.00 0.00 C ATOM 124 CD2 LEU A 33 -4.620 3.726 -1.850 1.00 0.00 C ATOM 0 H LEU A 33 -7.439 4.732 -4.134 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.642 5.852 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.520 5.817 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.886 4.181 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.408 5.196 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.377 6.120 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.792 7.166 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.194 6.123 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.652 3.678 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.484 3.587 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.268 2.940 -2.238 1.00 0.00 H new ATOM 136 N VAL A 34 -7.047 8.008 -2.055 1.00 0.00 N ATOM 137 CA VAL A 34 -6.654 9.336 -2.510 1.00 0.00 C ATOM 138 C VAL A 34 -5.801 10.032 -1.471 1.00 0.00 C ATOM 139 O VAL A 34 -6.215 10.238 -0.332 1.00 0.00 O ATOM 140 CB VAL A 34 -7.879 10.217 -2.826 1.00 0.00 C ATOM 141 CG1 VAL A 34 -7.447 11.536 -3.450 1.00 0.00 C ATOM 142 CG2 VAL A 34 -8.843 9.480 -3.741 1.00 0.00 C ATOM 0 H VAL A 34 -7.061 7.897 -1.041 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.077 9.197 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.394 10.437 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.327 12.142 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.798 12.071 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.906 11.341 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.702 10.117 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.339 9.228 -4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.181 8.566 -3.253 1.00 0.00 H new ATOM 152 N LEU A 35 -4.588 10.384 -1.873 1.00 0.00 N ATOM 153 CA LEU A 35 -3.642 11.058 -0.985 1.00 0.00 C ATOM 154 C LEU A 35 -3.362 12.475 -1.464 1.00 0.00 C ATOM 155 O LEU A 35 -2.547 12.697 -2.354 1.00 0.00 O ATOM 156 CB LEU A 35 -2.342 10.256 -0.925 1.00 0.00 C ATOM 157 CG LEU A 35 -1.780 10.044 0.477 1.00 0.00 C ATOM 158 CD1 LEU A 35 -2.357 8.787 1.106 1.00 0.00 C ATOM 159 CD2 LEU A 35 -0.258 9.976 0.431 1.00 0.00 C ATOM 0 H LEU A 35 -4.231 10.214 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.079 11.119 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.512 9.282 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.590 10.765 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.070 10.892 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.942 8.657 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.441 8.878 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.103 7.923 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.130 9.824 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.050 9.146 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.136 10.909 0.027 1.00 0.00 H new ATOM 171 N LYS A 36 -4.049 13.443 -0.863 1.00 0.00 N ATOM 172 CA LYS A 36 -3.877 14.843 -1.228 1.00 0.00 C ATOM 173 C LYS A 36 -3.891 15.737 0.012 1.00 0.00 C ATOM 174 O LYS A 36 -4.587 15.448 0.986 1.00 0.00 O ATOM 175 CB LYS A 36 -4.965 15.280 -2.200 1.00 0.00 C ATOM 176 CG LYS A 36 -4.509 16.317 -3.216 1.00 0.00 C ATOM 177 CD LYS A 36 -5.674 16.871 -4.013 1.00 0.00 C ATOM 178 CE LYS A 36 -6.228 15.853 -4.986 1.00 0.00 C ATOM 179 NZ LYS A 36 -7.217 14.943 -4.339 1.00 0.00 N ATOM 0 H LYS A 36 -4.730 13.282 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.908 14.946 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.335 14.404 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.803 15.686 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.000 17.132 -2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.785 15.867 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.463 17.187 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.351 17.757 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.702 16.370 -5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.410 15.264 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.798 13.998 -4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.476 15.319 -3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.068 14.876 -4.933 1.00 0.00 H new ATOM 193 N GLY A 37 -3.128 16.827 -0.034 1.00 0.00 N ATOM 194 CA GLY A 37 -3.070 17.739 1.087 1.00 0.00 C ATOM 195 C GLY A 37 -1.729 17.715 1.789 1.00 0.00 C ATOM 196 O GLY A 37 -1.274 18.732 2.309 1.00 0.00 O ATOM 0 H GLY A 37 -2.549 17.092 -0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.275 18.751 0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.854 17.483 1.800 1.00 0.00 H new ATOM 200 N GLU A 38 -1.089 16.554 1.806 1.00 0.00 N ATOM 201 CA GLU A 38 0.212 16.402 2.450 1.00 0.00 C ATOM 202 C GLU A 38 1.243 17.320 1.807 1.00 0.00 C ATOM 203 O GLU A 38 1.735 18.250 2.437 1.00 0.00 O ATOM 204 CB GLU A 38 0.677 14.941 2.365 1.00 0.00 C ATOM 205 CG GLU A 38 0.406 14.144 3.630 1.00 0.00 C ATOM 206 CD GLU A 38 1.588 13.307 4.058 1.00 0.00 C ATOM 207 OE1 GLU A 38 2.693 13.879 4.219 1.00 0.00 O ATOM 208 OE2 GLU A 38 1.417 12.082 4.233 1.00 0.00 O ATOM 0 H GLU A 38 -1.449 15.700 1.380 1.00 0.00 H new ATOM 0 HA GLU A 38 0.111 16.681 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.177 14.457 1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.746 14.920 2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.141 14.829 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.454 13.494 3.468 1.00 0.00 H new ATOM 215 N LEU A 39 1.569 17.047 0.549 1.00 0.00 N ATOM 216 CA LEU A 39 2.550 17.844 -0.180 1.00 0.00 C ATOM 217 C LEU A 39 2.327 17.732 -1.687 1.00 0.00 C ATOM 218 O LEU A 39 1.778 16.749 -2.170 1.00 0.00 O ATOM 219 CB LEU A 39 3.966 17.408 0.179 1.00 0.00 C ATOM 220 CG LEU A 39 4.604 18.164 1.351 1.00 0.00 C ATOM 221 CD1 LEU A 39 5.196 17.184 2.354 1.00 0.00 C ATOM 222 CD2 LEU A 39 5.666 19.128 0.848 1.00 0.00 C ATOM 0 H LEU A 39 1.168 16.279 0.011 1.00 0.00 H new ATOM 0 HA LEU A 39 2.423 18.887 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.952 16.345 0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.600 17.529 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 39 3.830 18.743 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.645 17.736 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.408 16.535 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.959 16.579 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.108 19.656 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.442 18.572 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.211 19.848 0.168 1.00 0.00 H new ATOM 234 N ASP A 40 2.772 18.751 -2.419 1.00 0.00 N ATOM 235 CA ASP A 40 2.624 18.768 -3.868 1.00 0.00 C ATOM 236 C ASP A 40 3.911 18.330 -4.542 1.00 0.00 C ATOM 237 O ASP A 40 4.232 18.787 -5.641 1.00 0.00 O ATOM 238 CB ASP A 40 2.227 20.165 -4.344 1.00 0.00 C ATOM 239 CG ASP A 40 3.121 21.248 -3.770 1.00 0.00 C ATOM 240 OD1 ASP A 40 4.341 21.002 -3.654 1.00 0.00 O ATOM 241 OD2 ASP A 40 2.600 22.327 -3.440 1.00 0.00 O ATOM 0 H ASP A 40 3.236 19.572 -2.032 1.00 0.00 H new ATOM 0 HA ASP A 40 1.836 18.067 -4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.271 20.201 -5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.193 20.363 -4.060 1.00 0.00 H new ATOM 246 N LEU A 41 4.652 17.446 -3.891 1.00 0.00 N ATOM 247 CA LEU A 41 5.908 16.945 -4.435 1.00 0.00 C ATOM 248 C LEU A 41 6.153 15.504 -4.006 1.00 0.00 C ATOM 249 O LEU A 41 6.255 15.209 -2.814 1.00 0.00 O ATOM 250 CB LEU A 41 7.073 17.829 -3.970 1.00 0.00 C ATOM 251 CG LEU A 41 7.309 19.079 -4.815 1.00 0.00 C ATOM 252 CD1 LEU A 41 7.665 20.268 -3.927 1.00 0.00 C ATOM 253 CD2 LEU A 41 8.410 18.833 -5.839 1.00 0.00 C ATOM 0 H LEU A 41 4.405 17.058 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 41 5.842 16.975 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.890 18.134 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.985 17.232 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 41 6.387 19.310 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.829 21.149 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.848 20.461 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.573 20.045 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.564 19.735 -6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.335 18.575 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.120 18.013 -6.495 1.00 0.00 H new ATOM 265 N HIS A 42 6.243 14.609 -4.985 1.00 0.00 N ATOM 266 CA HIS A 42 6.474 13.196 -4.711 1.00 0.00 C ATOM 267 C HIS A 42 5.319 12.600 -3.911 1.00 0.00 C ATOM 268 O HIS A 42 5.025 13.048 -2.802 1.00 0.00 O ATOM 269 CB HIS A 42 7.789 13.008 -3.951 1.00 0.00 C ATOM 270 CG HIS A 42 8.436 11.679 -4.201 1.00 0.00 C ATOM 271 ND1 HIS A 42 8.386 11.035 -5.416 1.00 0.00 N ATOM 272 CD2 HIS A 42 9.155 10.876 -3.382 1.00 0.00 C ATOM 273 CE1 HIS A 42 9.041 9.886 -5.335 1.00 0.00 C ATOM 274 NE2 HIS A 42 9.521 9.771 -4.111 1.00 0.00 N ATOM 0 H HIS A 42 6.159 14.838 -5.975 1.00 0.00 H new ATOM 0 HA HIS A 42 6.538 12.673 -5.665 1.00 0.00 H new ATOM 0 HB2 HIS A 42 8.481 13.800 -4.236 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.602 13.117 -2.883 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.396 11.069 -2.347 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.161 9.168 -6.133 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.074 8.988 -3.763 1.00 0.00 H new ATOM 283 N SER A 43 4.671 11.593 -4.480 1.00 0.00 N ATOM 284 CA SER A 43 3.549 10.935 -3.820 1.00 0.00 C ATOM 285 C SER A 43 4.014 10.159 -2.592 1.00 0.00 C ATOM 286 O SER A 43 4.898 9.306 -2.683 1.00 0.00 O ATOM 287 CB SER A 43 2.837 9.986 -4.795 1.00 0.00 C ATOM 288 OG SER A 43 1.882 10.686 -5.573 1.00 0.00 O ATOM 0 H SER A 43 4.902 11.213 -5.398 1.00 0.00 H new ATOM 0 HA SER A 43 2.851 11.707 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.569 9.513 -5.449 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.345 9.188 -4.239 1.00 0.00 H new ATOM 0 HG SER A 43 1.442 10.063 -6.188 1.00 0.00 H new ATOM 294 N LYS A 44 3.414 10.461 -1.445 1.00 0.00 N ATOM 295 CA LYS A 44 3.767 9.792 -0.198 1.00 0.00 C ATOM 296 C LYS A 44 3.053 8.443 -0.078 1.00 0.00 C ATOM 297 O LYS A 44 3.511 7.553 0.640 1.00 0.00 O ATOM 298 CB LYS A 44 3.413 10.678 0.999 1.00 0.00 C ATOM 299 CG LYS A 44 4.148 12.005 1.010 1.00 0.00 C ATOM 300 CD LYS A 44 5.540 11.865 1.606 1.00 0.00 C ATOM 301 CE LYS A 44 6.026 13.175 2.204 1.00 0.00 C ATOM 302 NZ LYS A 44 7.475 13.408 1.940 1.00 0.00 N ATOM 0 H LYS A 44 2.681 11.165 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 44 4.842 9.613 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.339 10.867 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.639 10.139 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.223 12.389 -0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.577 12.734 1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.531 11.094 2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.236 11.536 0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.445 13.999 1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.850 13.169 3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.764 14.312 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.032 12.635 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.640 13.440 0.914 1.00 0.00 H new ATOM 316 N ASN A 45 1.936 8.304 -0.781 1.00 0.00 N ATOM 317 CA ASN A 45 1.162 7.062 -0.751 1.00 0.00 C ATOM 318 C ASN A 45 2.039 5.859 -1.087 1.00 0.00 C ATOM 319 O ASN A 45 1.853 4.774 -0.542 1.00 0.00 O ATOM 320 CB ASN A 45 -0.006 7.144 -1.730 1.00 0.00 C ATOM 321 CG ASN A 45 -0.968 5.984 -1.570 1.00 0.00 C ATOM 322 OD1 ASN A 45 -1.535 5.776 -0.497 1.00 0.00 O ATOM 323 ND2 ASN A 45 -1.157 5.220 -2.639 1.00 0.00 N ATOM 0 H ASN A 45 1.544 9.032 -1.378 1.00 0.00 H new ATOM 0 HA ASN A 45 0.775 6.931 0.259 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.541 8.081 -1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.377 7.158 -2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.793 4.424 -2.591 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.666 5.429 -3.508 1.00 0.00 H new ATOM 330 N MET A 46 3.000 6.063 -1.984 1.00 0.00 N ATOM 331 CA MET A 46 3.911 4.998 -2.388 1.00 0.00 C ATOM 332 C MET A 46 4.525 4.319 -1.169 1.00 0.00 C ATOM 333 O MET A 46 4.270 3.138 -0.909 1.00 0.00 O ATOM 334 CB MET A 46 5.019 5.553 -3.285 1.00 0.00 C ATOM 335 CG MET A 46 5.782 4.476 -4.042 1.00 0.00 C ATOM 336 SD MET A 46 7.451 5.006 -4.494 1.00 0.00 S ATOM 337 CE MET A 46 7.576 4.325 -6.149 1.00 0.00 C ATOM 0 H MET A 46 3.167 6.957 -2.445 1.00 0.00 H new ATOM 0 HA MET A 46 3.338 4.259 -2.948 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.582 6.249 -4.001 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.720 6.122 -2.674 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.842 3.577 -3.428 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.231 4.210 -4.944 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.553 4.566 -6.569 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.456 3.242 -6.107 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.795 4.752 -6.778 1.00 0.00 H new ATOM 347 N LYS A 47 5.324 5.066 -0.422 1.00 0.00 N ATOM 348 CA LYS A 47 5.969 4.542 0.776 1.00 0.00 C ATOM 349 C LYS A 47 4.928 3.997 1.751 1.00 0.00 C ATOM 350 O LYS A 47 5.229 3.138 2.579 1.00 0.00 O ATOM 351 CB LYS A 47 6.806 5.628 1.457 1.00 0.00 C ATOM 352 CG LYS A 47 7.544 5.140 2.695 1.00 0.00 C ATOM 353 CD LYS A 47 7.059 5.845 3.949 1.00 0.00 C ATOM 354 CE LYS A 47 7.448 5.082 5.204 1.00 0.00 C ATOM 355 NZ LYS A 47 7.105 5.840 6.442 1.00 0.00 N ATOM 0 H LYS A 47 5.543 6.041 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 47 6.629 3.728 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.531 6.018 0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.155 6.456 1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.402 4.065 2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.614 5.310 2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.479 6.850 3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.975 5.954 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.939 4.118 5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.519 4.878 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.386 5.287 7.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.610 6.749 6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.080 6.013 6.470 1.00 0.00 H new ATOM 369 N ASN A 48 3.700 4.501 1.644 1.00 0.00 N ATOM 370 CA ASN A 48 2.615 4.059 2.513 1.00 0.00 C ATOM 371 C ASN A 48 2.255 2.609 2.232 1.00 0.00 C ATOM 372 O ASN A 48 2.125 1.802 3.152 1.00 0.00 O ATOM 373 CB ASN A 48 1.385 4.949 2.326 1.00 0.00 C ATOM 374 CG ASN A 48 0.667 5.221 3.632 1.00 0.00 C ATOM 375 OD1 ASN A 48 0.722 6.337 4.162 1.00 0.00 O ATOM 376 ND2 ASN A 48 -0.004 4.212 4.165 1.00 0.00 N ATOM 0 H ASN A 48 3.433 5.214 0.965 1.00 0.00 H new ATOM 0 HA ASN A 48 2.955 4.138 3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.689 5.895 1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.697 4.472 1.628 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.502 4.339 5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.023 3.307 3.694 1.00 0.00 H new ATOM 383 N VAL A 49 2.095 2.279 0.953 1.00 0.00 N ATOM 384 CA VAL A 49 1.750 0.919 0.558 1.00 0.00 C ATOM 385 C VAL A 49 2.868 -0.052 0.919 1.00 0.00 C ATOM 386 O VAL A 49 2.612 -1.193 1.298 1.00 0.00 O ATOM 387 CB VAL A 49 1.470 0.814 -0.951 1.00 0.00 C ATOM 388 CG1 VAL A 49 0.902 -0.559 -1.293 1.00 0.00 C ATOM 389 CG2 VAL A 49 0.526 1.920 -1.398 1.00 0.00 C ATOM 0 H VAL A 49 2.198 2.932 0.177 1.00 0.00 H new ATOM 0 HA VAL A 49 0.843 0.657 1.102 1.00 0.00 H new ATOM 0 HB VAL A 49 2.411 0.936 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.710 -0.617 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.619 -1.330 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.029 -0.713 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.340 1.829 -2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.417 1.835 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.977 2.890 -1.189 1.00 0.00 H new ATOM 399 N ILE A 50 4.108 0.409 0.803 1.00 0.00 N ATOM 400 CA ILE A 50 5.258 -0.425 1.122 1.00 0.00 C ATOM 401 C ILE A 50 5.237 -0.837 2.590 1.00 0.00 C ATOM 402 O ILE A 50 5.506 -1.990 2.927 1.00 0.00 O ATOM 403 CB ILE A 50 6.585 0.299 0.818 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.594 0.813 -0.623 1.00 0.00 C ATOM 405 CG2 ILE A 50 7.766 -0.631 1.062 1.00 0.00 C ATOM 406 CD1 ILE A 50 7.858 1.549 -0.994 1.00 0.00 C ATOM 0 H ILE A 50 4.341 1.352 0.492 1.00 0.00 H new ATOM 0 HA ILE A 50 5.192 -1.313 0.493 1.00 0.00 H new ATOM 0 HB ILE A 50 6.676 1.153 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.462 -0.030 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.741 1.476 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.695 -0.105 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.768 -0.951 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.682 -1.504 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.793 1.884 -2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.982 2.412 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.713 0.883 -0.881 1.00 0.00 H new ATOM 418 N ASN A 51 4.914 0.115 3.460 1.00 0.00 N ATOM 419 CA ASN A 51 4.854 -0.147 4.892 1.00 0.00 C ATOM 420 C ASN A 51 3.613 -0.956 5.251 1.00 0.00 C ATOM 421 O ASN A 51 3.674 -1.874 6.067 1.00 0.00 O ATOM 422 CB ASN A 51 4.855 1.166 5.668 1.00 0.00 C ATOM 423 CG ASN A 51 5.316 0.994 7.105 1.00 0.00 C ATOM 424 OD1 ASN A 51 6.117 0.110 7.409 1.00 0.00 O ATOM 425 ND2 ASN A 51 4.803 1.830 7.995 1.00 0.00 N ATOM 0 H ASN A 51 4.690 1.075 3.197 1.00 0.00 H new ATOM 0 HA ASN A 51 5.735 -0.729 5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.506 1.881 5.165 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.850 1.589 5.661 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.069 1.756 8.977 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.142 2.548 7.698 1.00 0.00 H new ATOM 432 N ASN A 52 2.487 -0.609 4.634 1.00 0.00 N ATOM 433 CA ASN A 52 1.231 -1.305 4.891 1.00 0.00 C ATOM 434 C ASN A 52 1.236 -2.689 4.250 1.00 0.00 C ATOM 435 O ASN A 52 1.069 -3.700 4.932 1.00 0.00 O ATOM 436 CB ASN A 52 0.051 -0.487 4.365 1.00 0.00 C ATOM 437 CG ASN A 52 -1.132 -0.503 5.313 1.00 0.00 C ATOM 438 OD1 ASN A 52 -1.099 0.122 6.374 1.00 0.00 O ATOM 439 ND2 ASN A 52 -2.184 -1.219 4.937 1.00 0.00 N ATOM 0 H ASN A 52 2.419 0.148 3.954 1.00 0.00 H new ATOM 0 HA ASN A 52 1.125 -1.425 5.969 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.370 0.543 4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.258 -0.881 3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.008 -1.267 5.536 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.168 -1.721 4.049 1.00 0.00 H new ATOM 446 N ALA A 53 1.434 -2.727 2.936 1.00 0.00 N ATOM 447 CA ALA A 53 1.468 -3.988 2.204 1.00 0.00 C ATOM 448 C ALA A 53 2.439 -4.968 2.855 1.00 0.00 C ATOM 449 O ALA A 53 2.239 -6.184 2.809 1.00 0.00 O ATOM 450 CB ALA A 53 1.852 -3.744 0.751 1.00 0.00 C ATOM 0 H ALA A 53 1.573 -1.899 2.357 1.00 0.00 H new ATOM 0 HA ALA A 53 0.471 -4.428 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.874 -4.693 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.120 -3.083 0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.838 -3.281 0.708 1.00 0.00 H new ATOM 456 N LYS A 54 3.487 -4.429 3.471 1.00 0.00 N ATOM 457 CA LYS A 54 4.486 -5.252 4.140 1.00 0.00 C ATOM 458 C LYS A 54 3.950 -5.763 5.472 1.00 0.00 C ATOM 459 O LYS A 54 4.171 -6.916 5.841 1.00 0.00 O ATOM 460 CB LYS A 54 5.773 -4.456 4.364 1.00 0.00 C ATOM 461 CG LYS A 54 6.896 -5.276 4.980 1.00 0.00 C ATOM 462 CD LYS A 54 7.086 -4.949 6.453 1.00 0.00 C ATOM 463 CE LYS A 54 8.284 -4.038 6.674 1.00 0.00 C ATOM 464 NZ LYS A 54 9.185 -4.556 7.741 1.00 0.00 N ATOM 0 H LYS A 54 3.665 -3.426 3.520 1.00 0.00 H new ATOM 0 HA LYS A 54 4.709 -6.106 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.111 -4.051 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.557 -3.607 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.676 -6.338 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.824 -5.085 4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.187 -4.469 6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.221 -5.872 7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.842 -3.940 5.743 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.937 -3.041 6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.160 -4.248 7.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.878 -4.187 8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.147 -5.595 7.753 1.00 0.00 H new ATOM 478 N LYS A 55 3.237 -4.897 6.185 1.00 0.00 N ATOM 479 CA LYS A 55 2.660 -5.263 7.472 1.00 0.00 C ATOM 480 C LYS A 55 1.674 -6.415 7.303 1.00 0.00 C ATOM 481 O LYS A 55 1.535 -7.262 8.184 1.00 0.00 O ATOM 482 CB LYS A 55 1.961 -4.056 8.105 1.00 0.00 C ATOM 483 CG LYS A 55 2.637 -3.562 9.374 1.00 0.00 C ATOM 484 CD LYS A 55 2.996 -2.087 9.280 1.00 0.00 C ATOM 485 CE LYS A 55 1.791 -1.199 9.550 1.00 0.00 C ATOM 486 NZ LYS A 55 1.901 -0.493 10.854 1.00 0.00 N ATOM 0 H LYS A 55 3.046 -3.939 5.893 1.00 0.00 H new ATOM 0 HA LYS A 55 3.464 -5.586 8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.929 -3.243 7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.929 -4.322 8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.975 -3.722 10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.539 -4.146 9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.785 -1.858 9.996 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.393 -1.871 8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.693 -0.467 8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.885 -1.805 9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.060 0.101 10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.969 -1.191 11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.752 0.105 10.854 1.00 0.00 H new ATOM 500 N ASN A 56 1.000 -6.439 6.157 1.00 0.00 N ATOM 501 CA ASN A 56 0.033 -7.489 5.863 1.00 0.00 C ATOM 502 C ASN A 56 0.746 -8.808 5.591 1.00 0.00 C ATOM 503 O ASN A 56 0.455 -9.825 6.222 1.00 0.00 O ATOM 504 CB ASN A 56 -0.824 -7.099 4.658 1.00 0.00 C ATOM 505 CG ASN A 56 -1.869 -6.057 5.004 1.00 0.00 C ATOM 506 OD1 ASN A 56 -2.870 -6.356 5.654 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.639 -4.823 4.569 1.00 0.00 N ATOM 0 H ASN A 56 1.106 -5.744 5.418 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.615 -7.614 6.731 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.180 -6.715 3.867 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.318 -7.987 4.264 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.306 -4.078 4.771 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.795 -4.620 4.033 1.00 0.00 H new ATOM 514 N LEU A 57 1.690 -8.782 4.652 1.00 0.00 N ATOM 515 CA LEU A 57 2.455 -9.975 4.297 1.00 0.00 C ATOM 516 C LEU A 57 2.974 -10.672 5.550 1.00 0.00 C ATOM 517 O LEU A 57 2.682 -11.845 5.791 1.00 0.00 O ATOM 518 CB LEU A 57 3.628 -9.602 3.390 1.00 0.00 C ATOM 519 CG LEU A 57 3.271 -9.419 1.912 1.00 0.00 C ATOM 520 CD1 LEU A 57 3.912 -8.153 1.358 1.00 0.00 C ATOM 521 CD2 LEU A 57 3.700 -10.635 1.105 1.00 0.00 C ATOM 0 H LEU A 57 1.943 -7.947 4.123 1.00 0.00 H new ATOM 0 HA LEU A 57 1.794 -10.658 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.072 -8.677 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.391 -10.376 3.471 1.00 0.00 H new ATOM 0 HG LEU A 57 2.189 -9.317 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.647 -8.041 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.553 -7.289 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.996 -8.222 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.438 -10.487 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.778 -10.769 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.191 -11.521 1.484 1.00 0.00 H new ATOM 533 N GLU A 58 3.738 -9.938 6.351 1.00 0.00 N ATOM 534 CA GLU A 58 4.290 -10.478 7.586 1.00 0.00 C ATOM 535 C GLU A 58 3.175 -10.976 8.500 1.00 0.00 C ATOM 536 O GLU A 58 3.377 -11.888 9.302 1.00 0.00 O ATOM 537 CB GLU A 58 5.122 -9.415 8.306 1.00 0.00 C ATOM 538 CG GLU A 58 6.305 -8.914 7.494 1.00 0.00 C ATOM 539 CD GLU A 58 7.532 -8.658 8.347 1.00 0.00 C ATOM 540 OE1 GLU A 58 7.709 -9.368 9.360 1.00 0.00 O ATOM 541 OE2 GLU A 58 8.317 -7.751 8.001 1.00 0.00 O ATOM 0 H GLU A 58 3.989 -8.967 6.166 1.00 0.00 H new ATOM 0 HA GLU A 58 4.935 -11.320 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.480 -8.570 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.487 -9.827 9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.549 -9.646 6.724 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.025 -7.994 6.981 1.00 0.00 H new ATOM 548 N LYS A 59 1.995 -10.375 8.367 1.00 0.00 N ATOM 549 CA LYS A 59 0.846 -10.762 9.176 1.00 0.00 C ATOM 550 C LYS A 59 0.496 -12.227 8.944 1.00 0.00 C ATOM 551 O LYS A 59 0.090 -12.933 9.866 1.00 0.00 O ATOM 552 CB LYS A 59 -0.359 -9.878 8.847 1.00 0.00 C ATOM 553 CG LYS A 59 -1.325 -9.708 10.008 1.00 0.00 C ATOM 554 CD LYS A 59 -2.122 -10.978 10.262 1.00 0.00 C ATOM 555 CE LYS A 59 -3.590 -10.674 10.513 1.00 0.00 C ATOM 556 NZ LYS A 59 -3.833 -10.214 11.908 1.00 0.00 N ATOM 0 H LYS A 59 1.811 -9.619 7.707 1.00 0.00 H new ATOM 0 HA LYS A 59 1.106 -10.628 10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.004 -8.896 8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.894 -10.308 8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.771 -9.439 10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.008 -8.885 9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.029 -11.645 9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.706 -11.504 11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.926 -9.908 9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.184 -11.567 10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.857 -10.180 12.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.385 -10.875 12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.427 -9.265 12.036 1.00 0.00 H new ATOM 570 N TYR A 60 0.666 -12.680 7.705 1.00 0.00 N ATOM 571 CA TYR A 60 0.375 -14.066 7.355 1.00 0.00 C ATOM 572 C TYR A 60 1.537 -14.974 7.742 1.00 0.00 C ATOM 573 O TYR A 60 1.345 -16.153 8.040 1.00 0.00 O ATOM 574 CB TYR A 60 0.101 -14.196 5.854 1.00 0.00 C ATOM 575 CG TYR A 60 -0.914 -13.206 5.327 1.00 0.00 C ATOM 576 CD1 TYR A 60 -0.516 -11.963 4.854 1.00 0.00 C ATOM 577 CD2 TYR A 60 -2.267 -13.519 5.297 1.00 0.00 C ATOM 578 CE1 TYR A 60 -1.440 -11.057 4.368 1.00 0.00 C ATOM 579 CE2 TYR A 60 -3.196 -12.619 4.811 1.00 0.00 C ATOM 580 CZ TYR A 60 -2.778 -11.390 4.347 1.00 0.00 C ATOM 581 OH TYR A 60 -3.699 -10.492 3.861 1.00 0.00 O ATOM 0 H TYR A 60 1.003 -12.109 6.929 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.514 -14.372 7.907 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.037 -14.065 5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.250 -15.207 5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.531 -11.700 4.866 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.598 -14.481 5.659 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.115 -10.093 4.006 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.245 -12.877 4.795 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.280 -9.932 3.174 1.00 0.00 H new ATOM 591 N PHE A 61 2.744 -14.417 7.728 1.00 0.00 N ATOM 592 CA PHE A 61 3.941 -15.176 8.070 1.00 0.00 C ATOM 593 C PHE A 61 4.107 -15.300 9.581 1.00 0.00 C ATOM 594 O PHE A 61 4.670 -16.274 10.073 1.00 0.00 O ATOM 595 CB PHE A 61 5.179 -14.512 7.463 1.00 0.00 C ATOM 596 CG PHE A 61 6.306 -15.471 7.202 1.00 0.00 C ATOM 597 CD1 PHE A 61 6.994 -16.056 8.254 1.00 0.00 C ATOM 598 CD2 PHE A 61 6.677 -15.786 5.905 1.00 0.00 C ATOM 599 CE1 PHE A 61 8.031 -16.937 8.015 1.00 0.00 C ATOM 600 CE2 PHE A 61 7.713 -16.667 5.661 1.00 0.00 C ATOM 601 CZ PHE A 61 8.391 -17.243 6.717 1.00 0.00 C ATOM 0 H PHE A 61 2.919 -13.442 7.483 1.00 0.00 H new ATOM 0 HA PHE A 61 3.830 -16.179 7.657 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.900 -14.028 6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.528 -13.728 8.135 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.716 -15.821 9.271 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.151 -15.338 5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.560 -17.386 8.843 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.992 -16.905 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.201 -17.932 6.528 1.00 0.00 H new ATOM 611 N LYS A 62 3.625 -14.306 10.314 1.00 0.00 N ATOM 612 CA LYS A 62 3.733 -14.315 11.769 1.00 0.00 C ATOM 613 C LYS A 62 2.553 -15.036 12.415 1.00 0.00 C ATOM 614 O LYS A 62 2.674 -15.579 13.513 1.00 0.00 O ATOM 615 CB LYS A 62 3.829 -12.884 12.304 1.00 0.00 C ATOM 616 CG LYS A 62 5.258 -12.409 12.517 1.00 0.00 C ATOM 617 CD LYS A 62 5.560 -12.185 13.990 1.00 0.00 C ATOM 618 CE LYS A 62 5.521 -13.489 14.771 1.00 0.00 C ATOM 619 NZ LYS A 62 6.700 -14.349 14.473 1.00 0.00 N ATOM 0 H LYS A 62 3.157 -13.486 9.929 1.00 0.00 H new ATOM 0 HA LYS A 62 4.642 -14.858 12.029 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.331 -12.210 11.607 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.289 -12.821 13.249 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.951 -13.146 12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.420 -11.482 11.967 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.543 -11.726 14.095 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.835 -11.487 14.409 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.490 -13.272 15.839 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.606 -14.030 14.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.681 -15.189 15.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.670 -14.647 13.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.574 -13.813 14.647 1.00 0.00 H new ATOM 633 N GLU A 63 1.410 -15.029 11.737 1.00 0.00 N ATOM 634 CA GLU A 63 0.212 -15.674 12.262 1.00 0.00 C ATOM 635 C GLU A 63 0.045 -17.087 11.711 1.00 0.00 C ATOM 636 O GLU A 63 -0.237 -18.022 12.458 1.00 0.00 O ATOM 637 CB GLU A 63 -1.027 -14.841 11.930 1.00 0.00 C ATOM 638 CG GLU A 63 -2.058 -14.812 13.047 1.00 0.00 C ATOM 639 CD GLU A 63 -2.881 -13.538 13.048 1.00 0.00 C ATOM 640 OE1 GLU A 63 -2.348 -12.486 13.458 1.00 0.00 O ATOM 641 OE2 GLU A 63 -4.060 -13.595 12.639 1.00 0.00 O ATOM 0 H GLU A 63 1.288 -14.586 10.826 1.00 0.00 H new ATOM 0 HA GLU A 63 0.325 -15.744 13.344 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.719 -13.820 11.705 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.492 -15.240 11.028 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.723 -15.670 12.945 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.551 -14.914 14.007 1.00 0.00 H new ATOM 648 N HIS A 64 0.205 -17.236 10.399 1.00 0.00 N ATOM 649 CA HIS A 64 0.053 -18.539 9.762 1.00 0.00 C ATOM 650 C HIS A 64 1.394 -19.121 9.322 1.00 0.00 C ATOM 651 O HIS A 64 1.436 -20.133 8.623 1.00 0.00 O ATOM 652 CB HIS A 64 -0.893 -18.438 8.564 1.00 0.00 C ATOM 653 CG HIS A 64 -2.336 -18.580 8.932 1.00 0.00 C ATOM 654 ND1 HIS A 64 -3.329 -17.774 8.415 1.00 0.00 N ATOM 655 CD2 HIS A 64 -2.956 -19.444 9.773 1.00 0.00 C ATOM 656 CE1 HIS A 64 -4.494 -18.133 8.923 1.00 0.00 C ATOM 657 NE2 HIS A 64 -4.296 -19.143 9.748 1.00 0.00 N ATOM 0 H HIS A 64 0.438 -16.476 9.760 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.373 -19.215 10.504 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.744 -17.476 8.073 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.633 -19.210 7.839 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.485 -20.223 10.354 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.447 -17.677 8.701 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.021 -19.623 10.281 1.00 0.00 H new ATOM 666 N PHE A 65 2.480 -18.489 9.746 1.00 0.00 N ATOM 667 CA PHE A 65 3.824 -18.949 9.405 1.00 0.00 C ATOM 668 C PHE A 65 4.078 -18.865 7.900 1.00 0.00 C ATOM 669 O PHE A 65 4.912 -18.081 7.448 1.00 0.00 O ATOM 670 CB PHE A 65 4.024 -20.380 9.896 1.00 0.00 C ATOM 671 CG PHE A 65 5.468 -20.756 10.077 1.00 0.00 C ATOM 672 CD1 PHE A 65 6.339 -20.751 8.999 1.00 0.00 C ATOM 673 CD2 PHE A 65 5.953 -21.113 11.324 1.00 0.00 C ATOM 674 CE1 PHE A 65 7.668 -21.095 9.163 1.00 0.00 C ATOM 675 CE2 PHE A 65 7.281 -21.459 11.495 1.00 0.00 C ATOM 676 CZ PHE A 65 8.138 -21.450 10.411 1.00 0.00 C ATOM 0 H PHE A 65 2.458 -17.653 10.329 1.00 0.00 H new ATOM 0 HA PHE A 65 4.542 -18.295 9.900 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.502 -20.506 10.845 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.564 -21.067 9.185 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.976 -20.475 8.020 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.286 -21.121 12.173 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.337 -21.086 8.316 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.647 -21.735 12.473 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.175 -21.721 10.540 1.00 0.00 H new ATOM 686 N LYS A 66 3.358 -19.675 7.131 1.00 0.00 N ATOM 687 CA LYS A 66 3.508 -19.688 5.680 1.00 0.00 C ATOM 688 C LYS A 66 3.069 -18.357 5.076 1.00 0.00 C ATOM 689 O LYS A 66 2.292 -17.616 5.678 1.00 0.00 O ATOM 690 CB LYS A 66 2.692 -20.830 5.073 1.00 0.00 C ATOM 691 CG LYS A 66 1.245 -20.860 5.541 1.00 0.00 C ATOM 692 CD LYS A 66 0.842 -22.241 6.038 1.00 0.00 C ATOM 693 CE LYS A 66 -0.041 -22.960 5.033 1.00 0.00 C ATOM 694 NZ LYS A 66 0.644 -23.151 3.724 1.00 0.00 N ATOM 0 H LYS A 66 2.664 -20.332 7.489 1.00 0.00 H new ATOM 0 HA LYS A 66 4.562 -19.841 5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.712 -20.742 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.166 -21.778 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.106 -20.131 6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.591 -20.563 4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.736 -22.835 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.313 -22.147 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.332 -23.931 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.958 -22.390 4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.005 -23.615 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.929 -22.226 3.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.487 -23.746 3.857 1.00 0.00 H new ATOM 708 N GLU A 67 3.574 -18.059 3.882 1.00 0.00 N ATOM 709 CA GLU A 67 3.234 -16.817 3.196 1.00 0.00 C ATOM 710 C GLU A 67 1.979 -16.988 2.345 1.00 0.00 C ATOM 711 O GLU A 67 1.280 -17.997 2.450 1.00 0.00 O ATOM 712 CB GLU A 67 4.404 -16.357 2.321 1.00 0.00 C ATOM 713 CG GLU A 67 4.691 -17.283 1.150 1.00 0.00 C ATOM 714 CD GLU A 67 5.904 -16.853 0.350 1.00 0.00 C ATOM 715 OE1 GLU A 67 5.838 -15.790 -0.304 1.00 0.00 O ATOM 716 OE2 GLU A 67 6.922 -17.577 0.378 1.00 0.00 O ATOM 0 H GLU A 67 4.220 -18.660 3.370 1.00 0.00 H new ATOM 0 HA GLU A 67 3.034 -16.057 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.191 -15.358 1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.299 -16.278 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.846 -18.296 1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.821 -17.314 0.495 1.00 0.00 H new ATOM 723 N PHE A 68 1.697 -15.998 1.503 1.00 0.00 N ATOM 724 CA PHE A 68 0.525 -16.042 0.637 1.00 0.00 C ATOM 725 C PHE A 68 0.822 -15.386 -0.714 1.00 0.00 C ATOM 726 O PHE A 68 1.982 -15.253 -1.104 1.00 0.00 O ATOM 727 CB PHE A 68 -0.665 -15.357 1.324 1.00 0.00 C ATOM 728 CG PHE A 68 -0.649 -13.856 1.228 1.00 0.00 C ATOM 729 CD1 PHE A 68 0.446 -13.131 1.670 1.00 0.00 C ATOM 730 CD2 PHE A 68 -1.730 -13.172 0.696 1.00 0.00 C ATOM 731 CE1 PHE A 68 0.462 -11.751 1.582 1.00 0.00 C ATOM 732 CE2 PHE A 68 -1.720 -11.793 0.606 1.00 0.00 C ATOM 733 CZ PHE A 68 -0.623 -11.082 1.049 1.00 0.00 C ATOM 0 H PHE A 68 2.264 -15.156 1.403 1.00 0.00 H new ATOM 0 HA PHE A 68 0.268 -17.085 0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.589 -15.729 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.677 -15.643 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.296 -13.649 2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.591 -13.723 0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.321 -11.197 1.929 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.570 -11.272 0.190 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.613 -10.004 0.979 1.00 0.00 H new ATOM 743 N ASP A 69 -0.230 -14.981 -1.423 1.00 0.00 N ATOM 744 CA ASP A 69 -0.076 -14.344 -2.726 1.00 0.00 C ATOM 745 C ASP A 69 0.782 -13.084 -2.620 1.00 0.00 C ATOM 746 O ASP A 69 1.496 -12.889 -1.638 1.00 0.00 O ATOM 747 CB ASP A 69 -1.447 -14.003 -3.314 1.00 0.00 C ATOM 748 CG ASP A 69 -1.516 -14.265 -4.806 1.00 0.00 C ATOM 749 OD1 ASP A 69 -0.595 -13.829 -5.528 1.00 0.00 O ATOM 750 OD2 ASP A 69 -2.490 -14.907 -5.250 1.00 0.00 O ATOM 0 H ASP A 69 -1.197 -15.083 -1.116 1.00 0.00 H new ATOM 0 HA ASP A 69 0.429 -15.045 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.213 -14.591 -2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.672 -12.954 -3.121 1.00 0.00 H new ATOM 755 N LYS A 70 0.712 -12.231 -3.640 1.00 0.00 N ATOM 756 CA LYS A 70 1.490 -10.997 -3.656 1.00 0.00 C ATOM 757 C LYS A 70 0.583 -9.771 -3.651 1.00 0.00 C ATOM 758 O LYS A 70 -0.625 -9.874 -3.873 1.00 0.00 O ATOM 759 CB LYS A 70 2.404 -10.963 -4.883 1.00 0.00 C ATOM 760 CG LYS A 70 3.614 -10.060 -4.712 1.00 0.00 C ATOM 761 CD LYS A 70 4.710 -10.402 -5.710 1.00 0.00 C ATOM 762 CE LYS A 70 5.443 -9.156 -6.179 1.00 0.00 C ATOM 763 NZ LYS A 70 6.667 -9.493 -6.960 1.00 0.00 N ATOM 0 H LYS A 70 0.126 -12.372 -4.463 1.00 0.00 H new ATOM 0 HA LYS A 70 2.099 -10.974 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.744 -11.975 -5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.829 -10.627 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.314 -9.020 -4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.001 -10.157 -3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.419 -11.092 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.275 -10.915 -6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.775 -8.551 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.718 -8.550 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.139 -8.617 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.316 -10.048 -6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.402 -10.050 -7.798 1.00 0.00 H new ATOM 777 N ILE A 71 1.174 -8.609 -3.399 1.00 0.00 N ATOM 778 CA ILE A 71 0.421 -7.362 -3.367 1.00 0.00 C ATOM 779 C ILE A 71 1.070 -6.309 -4.250 1.00 0.00 C ATOM 780 O ILE A 71 2.288 -6.288 -4.422 1.00 0.00 O ATOM 781 CB ILE A 71 0.292 -6.814 -1.935 1.00 0.00 C ATOM 782 CG1 ILE A 71 -0.109 -7.937 -0.986 1.00 0.00 C ATOM 783 CG2 ILE A 71 -0.731 -5.690 -1.887 1.00 0.00 C ATOM 784 CD1 ILE A 71 0.031 -7.575 0.477 1.00 0.00 C ATOM 0 H ILE A 71 2.172 -8.505 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.576 -7.586 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 71 1.256 -6.414 -1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.144 -8.217 -1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.504 -8.814 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.810 -5.313 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.416 -4.883 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.701 -6.067 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.272 -8.422 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.070 -7.324 0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.604 -6.718 0.702 1.00 0.00 H new ATOM 796 N SER A 72 0.243 -5.442 -4.815 1.00 0.00 N ATOM 797 CA SER A 72 0.728 -4.387 -5.693 1.00 0.00 C ATOM 798 C SER A 72 0.014 -3.068 -5.418 1.00 0.00 C ATOM 799 O SER A 72 -1.022 -3.035 -4.752 1.00 0.00 O ATOM 800 CB SER A 72 0.536 -4.795 -7.153 1.00 0.00 C ATOM 801 OG SER A 72 1.678 -4.474 -7.928 1.00 0.00 O ATOM 0 H SER A 72 -0.768 -5.448 -4.681 1.00 0.00 H new ATOM 0 HA SER A 72 1.790 -4.242 -5.496 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.342 -5.866 -7.212 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.339 -4.290 -7.563 1.00 0.00 H new ATOM 0 HG SER A 72 1.530 -4.747 -8.857 1.00 0.00 H new ATOM 807 N TYR A 73 0.576 -1.981 -5.936 1.00 0.00 N ATOM 808 CA TYR A 73 0.001 -0.655 -5.750 1.00 0.00 C ATOM 809 C TYR A 73 0.490 0.300 -6.835 1.00 0.00 C ATOM 810 O TYR A 73 1.518 0.056 -7.469 1.00 0.00 O ATOM 811 CB TYR A 73 0.371 -0.114 -4.368 1.00 0.00 C ATOM 812 CG TYR A 73 1.853 0.134 -4.194 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.755 -0.924 -4.170 1.00 0.00 C ATOM 814 CD2 TYR A 73 2.350 1.423 -4.060 1.00 0.00 C ATOM 815 CE1 TYR A 73 4.110 -0.701 -4.015 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.703 1.653 -3.905 1.00 0.00 C ATOM 817 CZ TYR A 73 4.579 0.589 -3.883 1.00 0.00 C ATOM 818 OH TYR A 73 5.927 0.814 -3.729 1.00 0.00 O ATOM 0 H TYR A 73 1.432 -1.993 -6.490 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.084 -0.734 -5.823 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.168 0.818 -4.195 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.037 -0.821 -3.609 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.391 -1.935 -4.274 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.668 2.260 -4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.798 -1.533 -3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.073 2.662 -3.801 1.00 0.00 H new ATOM 0 HH TYR A 73 6.220 1.497 -4.368 1.00 0.00 H new ATOM 828 N ASP A 74 -0.247 1.385 -7.048 1.00 0.00 N ATOM 829 CA ASP A 74 0.123 2.367 -8.062 1.00 0.00 C ATOM 830 C ASP A 74 -0.586 3.699 -7.831 1.00 0.00 C ATOM 831 O ASP A 74 -1.638 3.758 -7.195 1.00 0.00 O ATOM 832 CB ASP A 74 -0.208 1.836 -9.458 1.00 0.00 C ATOM 833 CG ASP A 74 0.973 1.138 -10.106 1.00 0.00 C ATOM 834 OD1 ASP A 74 2.125 1.489 -9.775 1.00 0.00 O ATOM 835 OD2 ASP A 74 0.745 0.241 -10.945 1.00 0.00 O ATOM 0 H ASP A 74 -1.100 1.607 -6.535 1.00 0.00 H new ATOM 0 HA ASP A 74 1.197 2.537 -7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.045 1.141 -9.390 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.530 2.663 -10.091 1.00 0.00 H new ATOM 840 N ILE A 75 -0.001 4.769 -8.362 1.00 0.00 N ATOM 841 CA ILE A 75 -0.574 6.102 -8.223 1.00 0.00 C ATOM 842 C ILE A 75 -0.952 6.677 -9.577 1.00 0.00 C ATOM 843 O ILE A 75 -0.225 6.513 -10.560 1.00 0.00 O ATOM 844 CB ILE A 75 0.396 7.071 -7.513 1.00 0.00 C ATOM 845 CG1 ILE A 75 1.702 7.212 -8.305 1.00 0.00 C ATOM 846 CG2 ILE A 75 0.670 6.601 -6.090 1.00 0.00 C ATOM 847 CD1 ILE A 75 2.666 6.058 -8.122 1.00 0.00 C ATOM 0 H ILE A 75 0.870 4.738 -8.892 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.470 5.996 -7.612 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.073 8.054 -7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.463 7.307 -9.364 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.197 8.136 -8.006 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.355 7.295 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.266 6.564 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.117 5.607 -6.115 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.563 6.236 -8.715 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.938 5.974 -7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.192 5.133 -8.449 1.00 0.00 H new ATOM 859 N SER A 76 -2.094 7.357 -9.636 1.00 0.00 N ATOM 860 CA SER A 76 -2.569 7.956 -10.871 1.00 0.00 C ATOM 861 C SER A 76 -2.612 9.476 -10.757 1.00 0.00 C ATOM 862 O SER A 76 -3.609 10.044 -10.332 1.00 0.00 O ATOM 863 CB SER A 76 -3.957 7.419 -11.225 1.00 0.00 C ATOM 864 OG SER A 76 -3.867 6.175 -11.899 1.00 0.00 O ATOM 0 H SER A 76 -2.708 7.505 -8.835 1.00 0.00 H new ATOM 0 HA SER A 76 -1.872 7.689 -11.665 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.547 7.302 -10.316 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.480 8.140 -11.854 1.00 0.00 H new ATOM 0 HG SER A 76 -4.768 5.853 -12.112 1.00 0.00 H new ATOM 870 N THR A 77 -1.517 10.124 -11.144 1.00 0.00 N ATOM 871 CA THR A 77 -1.427 11.575 -11.088 1.00 0.00 C ATOM 872 C THR A 77 -1.541 12.076 -9.653 1.00 0.00 C ATOM 873 O THR A 77 -2.286 11.509 -8.846 1.00 0.00 O ATOM 874 CB THR A 77 -2.505 12.215 -11.955 1.00 0.00 C ATOM 875 OG1 THR A 77 -3.067 11.265 -12.842 1.00 0.00 O ATOM 876 CG2 THR A 77 -2.005 13.370 -12.781 1.00 0.00 C ATOM 0 H THR A 77 -0.679 9.664 -11.500 1.00 0.00 H new ATOM 0 HA THR A 77 -0.450 11.863 -11.475 1.00 0.00 H new ATOM 0 HB THR A 77 -3.249 12.590 -11.253 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.758 11.696 -13.388 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.825 13.776 -13.373 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.613 14.146 -12.123 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.214 13.026 -13.447 1.00 0.00 H new ATOM 884 N PRO A 78 -0.804 13.145 -9.300 1.00 0.00 N ATOM 885 CA PRO A 78 -0.833 13.705 -7.950 1.00 0.00 C ATOM 886 C PRO A 78 -2.090 14.515 -7.690 1.00 0.00 C ATOM 887 O PRO A 78 -2.547 14.635 -6.552 1.00 0.00 O ATOM 888 CB PRO A 78 0.395 14.619 -7.935 1.00 0.00 C ATOM 889 CG PRO A 78 0.564 15.036 -9.347 1.00 0.00 C ATOM 890 CD PRO A 78 0.114 13.880 -10.195 1.00 0.00 C ATOM 0 HA PRO A 78 -0.827 12.932 -7.182 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.242 15.479 -7.283 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.277 14.093 -7.568 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.027 15.926 -9.561 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.604 15.287 -9.555 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.390 14.217 -11.101 1.00 0.00 H new ATOM 0 HD3 PRO A 78 0.953 13.260 -10.509 1.00 0.00 H new ATOM 898 N ILE A 79 -2.668 15.074 -8.751 1.00 0.00 N ATOM 899 CA ILE A 79 -3.880 15.880 -8.636 1.00 0.00 C ATOM 900 C ILE A 79 -5.076 15.151 -9.256 1.00 0.00 C ATOM 901 O ILE A 79 -5.940 15.780 -9.872 1.00 0.00 O ATOM 902 CB ILE A 79 -3.719 17.249 -9.317 1.00 0.00 C ATOM 903 CG1 ILE A 79 -2.398 17.902 -8.889 1.00 0.00 C ATOM 904 CG2 ILE A 79 -4.898 18.152 -8.981 1.00 0.00 C ATOM 905 CD1 ILE A 79 -2.337 18.230 -7.416 1.00 0.00 C ATOM 0 H ILE A 79 -2.314 14.983 -9.703 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.057 16.038 -7.572 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.698 17.102 -10.397 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.574 17.234 -9.139 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.251 18.817 -9.463 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.768 19.117 -9.471 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.821 17.689 -9.329 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.949 18.297 -7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.376 18.689 -7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.140 18.923 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.452 17.315 -6.834 1.00 0.00 H new ATOM 917 N ASN A 80 -5.124 13.839 -9.074 1.00 0.00 N ATOM 918 CA ASN A 80 -6.222 13.048 -9.616 1.00 0.00 C ATOM 919 C ASN A 80 -6.673 11.982 -8.601 1.00 0.00 C ATOM 920 O ASN A 80 -7.272 12.325 -7.580 1.00 0.00 O ATOM 921 CB ASN A 80 -5.813 12.411 -10.939 1.00 0.00 C ATOM 922 CG ASN A 80 -6.947 11.653 -11.603 1.00 0.00 C ATOM 923 OD1 ASN A 80 -8.063 12.157 -11.710 1.00 0.00 O ATOM 924 ND2 ASN A 80 -6.668 10.436 -12.048 1.00 0.00 N ATOM 0 H ASN A 80 -4.424 13.303 -8.561 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.069 13.708 -9.806 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.456 13.187 -11.616 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.979 11.730 -10.767 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.394 9.879 -12.500 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.728 10.056 -11.939 1.00 0.00 H new ATOM 931 N PHE A 81 -6.406 10.704 -8.877 1.00 0.00 N ATOM 932 CA PHE A 81 -6.809 9.636 -7.980 1.00 0.00 C ATOM 933 C PHE A 81 -5.692 8.606 -7.819 1.00 0.00 C ATOM 934 O PHE A 81 -4.706 8.627 -8.548 1.00 0.00 O ATOM 935 CB PHE A 81 -8.074 8.951 -8.496 1.00 0.00 C ATOM 936 CG PHE A 81 -9.269 9.866 -8.562 1.00 0.00 C ATOM 937 CD1 PHE A 81 -9.724 10.510 -7.426 1.00 0.00 C ATOM 938 CD2 PHE A 81 -9.928 10.073 -9.757 1.00 0.00 C ATOM 939 CE1 PHE A 81 -10.822 11.351 -7.485 1.00 0.00 C ATOM 940 CE2 PHE A 81 -11.027 10.912 -9.818 1.00 0.00 C ATOM 941 CZ PHE A 81 -11.473 11.553 -8.687 1.00 0.00 C ATOM 0 H PHE A 81 -5.914 10.391 -9.714 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.016 10.079 -7.006 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.880 8.548 -9.490 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.309 8.105 -7.850 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -9.218 10.355 -6.484 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.583 9.576 -10.652 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -11.170 11.849 -6.592 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -11.536 11.064 -10.758 1.00 0.00 H new ATOM 0 HZ PHE A 81 -12.328 12.211 -8.737 1.00 0.00 H new ATOM 951 N LEU A 82 -5.869 7.698 -6.861 1.00 0.00 N ATOM 952 CA LEU A 82 -4.897 6.652 -6.602 1.00 0.00 C ATOM 953 C LEU A 82 -5.569 5.284 -6.648 1.00 0.00 C ATOM 954 O LEU A 82 -6.705 5.128 -6.216 1.00 0.00 O ATOM 955 CB LEU A 82 -4.230 6.870 -5.241 1.00 0.00 C ATOM 956 CG LEU A 82 -2.919 7.660 -5.281 1.00 0.00 C ATOM 957 CD1 LEU A 82 -3.068 8.909 -6.137 1.00 0.00 C ATOM 958 CD2 LEU A 82 -2.478 8.029 -3.872 1.00 0.00 C ATOM 0 H LEU A 82 -6.685 7.671 -6.250 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.130 6.691 -7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.931 7.392 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.037 5.898 -4.788 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.153 7.028 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.125 9.455 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.337 8.623 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.849 9.545 -5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.545 8.590 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.246 8.641 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.327 7.121 -3.288 1.00 0.00 H new ATOM 970 N CYS A 83 -4.867 4.291 -7.186 1.00 0.00 N ATOM 971 CA CYS A 83 -5.423 2.946 -7.294 1.00 0.00 C ATOM 972 C CYS A 83 -4.468 1.891 -6.746 1.00 0.00 C ATOM 973 O CYS A 83 -3.255 1.974 -6.935 1.00 0.00 O ATOM 974 CB CYS A 83 -5.760 2.631 -8.753 1.00 0.00 C ATOM 975 SG CYS A 83 -7.026 1.357 -8.960 1.00 0.00 S ATOM 0 H CYS A 83 -3.920 4.390 -7.551 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.332 2.918 -6.693 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -6.096 3.545 -9.242 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.852 2.312 -9.264 1.00 0.00 H new ATOM 0 HG CYS A 83 -6.509 0.324 -9.556 1.00 0.00 H new ATOM 981 N ILE A 84 -5.030 0.892 -6.075 1.00 0.00 N ATOM 982 CA ILE A 84 -4.242 -0.193 -5.505 1.00 0.00 C ATOM 983 C ILE A 84 -4.674 -1.531 -6.096 1.00 0.00 C ATOM 984 O ILE A 84 -5.864 -1.788 -6.268 1.00 0.00 O ATOM 985 CB ILE A 84 -4.375 -0.235 -3.963 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.419 0.782 -3.323 1.00 0.00 C ATOM 987 CG2 ILE A 84 -4.123 -1.645 -3.428 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.340 0.161 -2.461 1.00 0.00 C ATOM 0 H ILE A 84 -6.034 0.812 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.197 -0.010 -5.755 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.396 0.037 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.946 1.366 -4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.999 1.477 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.223 -1.646 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.850 -2.333 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.116 -1.963 -3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.708 0.947 -2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.801 -0.400 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.733 -0.512 -3.067 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.701 -2.381 -6.404 1.00 0.00 N ATOM 1001 CA PHE A 85 -3.989 -3.692 -6.972 1.00 0.00 C ATOM 1002 C PHE A 85 -3.263 -4.789 -6.202 1.00 0.00 C ATOM 1003 O PHE A 85 -2.048 -4.943 -6.317 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.591 -3.730 -8.447 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.626 -3.130 -9.356 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.691 -3.890 -9.811 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -4.533 -1.806 -9.753 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.645 -3.341 -10.647 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -5.484 -1.251 -10.588 1.00 0.00 C ATOM 1010 CZ PHE A 85 -6.541 -2.020 -11.036 1.00 0.00 C ATOM 0 H PHE A 85 -2.709 -2.186 -6.270 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.061 -3.870 -6.891 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.650 -3.196 -8.576 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.414 -4.764 -8.742 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.777 -4.923 -9.509 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.708 -1.201 -9.406 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.470 -3.944 -10.995 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.401 -0.217 -10.890 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.285 -1.589 -11.689 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.016 -5.545 -5.411 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.445 -6.625 -4.614 1.00 0.00 C ATOM 1022 C ILE A 86 -3.809 -7.999 -5.189 1.00 0.00 C ATOM 1023 O ILE A 86 -4.921 -8.490 -4.984 1.00 0.00 O ATOM 1024 CB ILE A 86 -3.924 -6.543 -3.147 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -3.477 -7.776 -2.356 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.437 -6.393 -3.090 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -3.527 -7.580 -0.855 1.00 0.00 C ATOM 0 H ILE A 86 -5.024 -5.430 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.362 -6.507 -4.646 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.470 -5.664 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.111 -8.621 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.459 -8.036 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.758 -6.337 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.732 -5.482 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.906 -7.253 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.197 -8.492 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.871 -6.756 -0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.549 -7.350 -0.552 1.00 0.00 H new ATOM 1039 N PRO A 87 -2.875 -8.642 -5.919 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.109 -9.961 -6.511 1.00 0.00 C ATOM 1041 C PRO A 87 -3.161 -11.054 -5.452 1.00 0.00 C ATOM 1042 O PRO A 87 -2.137 -11.435 -4.884 1.00 0.00 O ATOM 1043 CB PRO A 87 -1.906 -10.179 -7.437 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.198 -8.864 -7.502 1.00 0.00 C ATOM 1045 CD PRO A 87 -1.529 -8.145 -6.226 1.00 0.00 C ATOM 0 HA PRO A 87 -4.065 -10.004 -7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.250 -10.958 -7.048 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.228 -10.499 -8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.122 -9.006 -7.601 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.524 -8.289 -8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.819 -8.380 -5.433 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.516 -7.063 -6.355 1.00 0.00 H new ATOM 1053 N THR A 88 -4.358 -11.548 -5.185 1.00 0.00 N ATOM 1054 CA THR A 88 -4.546 -12.588 -4.183 1.00 0.00 C ATOM 1055 C THR A 88 -5.869 -13.322 -4.398 1.00 0.00 C ATOM 1056 O THR A 88 -6.686 -12.918 -5.225 1.00 0.00 O ATOM 1057 CB THR A 88 -4.493 -11.963 -2.786 1.00 0.00 C ATOM 1058 OG1 THR A 88 -3.480 -10.975 -2.722 1.00 0.00 O ATOM 1059 CG2 THR A 88 -4.219 -12.962 -1.685 1.00 0.00 C ATOM 0 H THR A 88 -5.216 -11.247 -5.647 1.00 0.00 H new ATOM 0 HA THR A 88 -3.745 -13.321 -4.278 1.00 0.00 H new ATOM 0 HB THR A 88 -5.483 -11.536 -2.627 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.460 -10.585 -1.823 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.196 -12.447 -0.724 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.006 -13.716 -1.674 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.257 -13.444 -1.862 1.00 0.00 H new ATOM 1067 N LEU A 89 -6.072 -14.408 -3.657 1.00 0.00 N ATOM 1068 CA LEU A 89 -7.294 -15.198 -3.778 1.00 0.00 C ATOM 1069 C LEU A 89 -8.103 -15.180 -2.479 1.00 0.00 C ATOM 1070 O LEU A 89 -9.214 -15.706 -2.428 1.00 0.00 O ATOM 1071 CB LEU A 89 -6.952 -16.641 -4.156 1.00 0.00 C ATOM 1072 CG LEU A 89 -8.147 -17.504 -4.571 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -8.288 -17.530 -6.085 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -7.999 -18.916 -4.024 1.00 0.00 C ATOM 0 H LEU A 89 -5.408 -14.761 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.904 -14.751 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.233 -16.625 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.458 -17.115 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.051 -17.064 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.142 -18.148 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.440 -16.516 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.382 -17.945 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.857 -19.516 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.086 -19.364 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.948 -18.881 -2.936 1.00 0.00 H new ATOM 1086 N PHE A 90 -7.540 -14.575 -1.432 1.00 0.00 N ATOM 1087 CA PHE A 90 -8.206 -14.489 -0.132 1.00 0.00 C ATOM 1088 C PHE A 90 -8.841 -15.822 0.258 1.00 0.00 C ATOM 1089 O PHE A 90 -9.978 -16.114 -0.114 1.00 0.00 O ATOM 1090 CB PHE A 90 -9.266 -13.382 -0.137 1.00 0.00 C ATOM 1091 CG PHE A 90 -10.171 -13.406 -1.335 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -9.827 -12.730 -2.494 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -11.370 -14.101 -1.301 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -10.659 -12.749 -3.597 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -12.207 -14.123 -2.400 1.00 0.00 C ATOM 1096 CZ PHE A 90 -11.850 -13.446 -3.551 1.00 0.00 C ATOM 0 H PHE A 90 -6.620 -14.135 -1.460 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.446 -14.245 0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -9.872 -13.470 0.765 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -8.766 -12.415 -0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.898 -12.182 -2.536 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -11.653 -14.632 -0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.378 -12.219 -4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -13.138 -14.668 -2.360 1.00 0.00 H new ATOM 0 HZ PHE A 90 -12.501 -13.462 -4.412 1.00 0.00 H new ATOM 1106 N ASP A 91 -8.098 -16.628 1.008 1.00 0.00 N ATOM 1107 CA ASP A 91 -8.587 -17.931 1.446 1.00 0.00 C ATOM 1108 C ASP A 91 -7.874 -18.385 2.716 1.00 0.00 C ATOM 1109 O ASP A 91 -8.505 -18.888 3.647 1.00 0.00 O ATOM 1110 CB ASP A 91 -8.392 -18.970 0.340 1.00 0.00 C ATOM 1111 CG ASP A 91 -9.528 -19.974 0.283 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -10.693 -19.561 0.454 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -9.250 -21.172 0.066 1.00 0.00 O ATOM 0 H ASP A 91 -7.155 -16.403 1.326 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.651 -17.835 1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.311 -18.463 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.452 -19.498 0.502 1.00 0.00 H new ATOM 1118 N MET A 92 -6.557 -18.208 2.748 1.00 0.00 N ATOM 1119 CA MET A 92 -5.758 -18.603 3.906 1.00 0.00 C ATOM 1120 C MET A 92 -6.299 -17.973 5.186 1.00 0.00 C ATOM 1121 O MET A 92 -6.879 -18.658 6.028 1.00 0.00 O ATOM 1122 CB MET A 92 -4.294 -18.207 3.700 1.00 0.00 C ATOM 1123 CG MET A 92 -3.327 -19.374 3.816 1.00 0.00 C ATOM 1124 SD MET A 92 -2.910 -20.092 2.216 1.00 0.00 S ATOM 1125 CE MET A 92 -1.124 -20.165 2.329 1.00 0.00 C ATOM 0 H MET A 92 -6.019 -17.794 1.986 1.00 0.00 H new ATOM 0 HA MET A 92 -5.821 -19.686 4.007 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.184 -17.751 2.716 1.00 0.00 H new ATOM 0 HB3 MET A 92 -4.025 -17.448 4.434 1.00 0.00 H new ATOM 0 HG2 MET A 92 -2.414 -19.037 4.308 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.766 -20.143 4.452 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.689 -19.974 1.348 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.773 -19.411 3.034 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.821 -21.154 2.674 1.00 0.00 H new ATOM 1135 N ASN A 93 -6.108 -16.666 5.326 1.00 0.00 N ATOM 1136 CA ASN A 93 -6.581 -15.946 6.503 1.00 0.00 C ATOM 1137 C ASN A 93 -8.080 -16.159 6.707 1.00 0.00 C ATOM 1138 O ASN A 93 -8.588 -16.029 7.821 1.00 0.00 O ATOM 1139 CB ASN A 93 -6.274 -14.454 6.371 1.00 0.00 C ATOM 1140 CG ASN A 93 -5.542 -13.907 7.581 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -6.097 -13.133 8.360 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -4.286 -14.307 7.744 1.00 0.00 N ATOM 0 H ASN A 93 -5.629 -16.083 4.639 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.058 -16.339 7.375 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.671 -14.287 5.478 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.205 -13.905 6.234 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.743 -13.971 8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.864 -14.950 7.074 1.00 0.00 H new ATOM 1149 N ASN A 94 -8.779 -16.492 5.622 1.00 0.00 N ATOM 1150 CA ASN A 94 -10.222 -16.733 5.668 1.00 0.00 C ATOM 1151 C ASN A 94 -10.942 -15.694 6.527 1.00 0.00 C ATOM 1152 O ASN A 94 -11.941 -16.001 7.178 1.00 0.00 O ATOM 1153 CB ASN A 94 -10.508 -18.138 6.202 1.00 0.00 C ATOM 1154 CG ASN A 94 -10.045 -18.321 7.634 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -10.776 -18.018 8.578 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -8.825 -18.818 7.803 1.00 0.00 N ATOM 0 H ASN A 94 -8.367 -16.602 4.695 1.00 0.00 H new ATOM 0 HA ASN A 94 -10.601 -16.648 4.650 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.578 -18.335 6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.013 -18.872 5.567 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.459 -18.963 8.744 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.254 -19.055 6.992 1.00 0.00 H new ATOM 1163 N MET A 95 -10.432 -14.467 6.525 1.00 0.00 N ATOM 1164 CA MET A 95 -11.035 -13.393 7.307 1.00 0.00 C ATOM 1165 C MET A 95 -10.328 -12.063 7.053 1.00 0.00 C ATOM 1166 O MET A 95 -10.805 -11.237 6.275 1.00 0.00 O ATOM 1167 CB MET A 95 -10.993 -13.736 8.799 1.00 0.00 C ATOM 1168 CG MET A 95 -12.353 -14.090 9.379 1.00 0.00 C ATOM 1169 SD MET A 95 -13.129 -12.699 10.225 1.00 0.00 S ATOM 1170 CE MET A 95 -14.585 -13.488 10.907 1.00 0.00 C ATOM 0 H MET A 95 -9.606 -14.192 5.993 1.00 0.00 H new ATOM 0 HA MET A 95 -12.074 -13.290 6.994 1.00 0.00 H new ATOM 0 HB2 MET A 95 -10.313 -14.574 8.952 1.00 0.00 H new ATOM 0 HB3 MET A 95 -10.583 -12.888 9.347 1.00 0.00 H new ATOM 0 HG2 MET A 95 -13.007 -14.434 8.578 1.00 0.00 H new ATOM 0 HG3 MET A 95 -12.241 -14.919 10.078 1.00 0.00 H new ATOM 0 HE1 MET A 95 -15.171 -12.754 11.461 1.00 0.00 H new ATOM 0 HE2 MET A 95 -15.189 -13.898 10.098 1.00 0.00 H new ATOM 0 HE3 MET A 95 -14.283 -14.292 11.578 1.00 0.00 H new ATOM 1180 N ASP A 96 -9.192 -11.861 7.715 1.00 0.00 N ATOM 1181 CA ASP A 96 -8.428 -10.628 7.560 1.00 0.00 C ATOM 1182 C ASP A 96 -7.530 -10.691 6.328 1.00 0.00 C ATOM 1183 O ASP A 96 -6.864 -11.698 6.083 1.00 0.00 O ATOM 1184 CB ASP A 96 -7.583 -10.365 8.808 1.00 0.00 C ATOM 1185 CG ASP A 96 -8.376 -10.535 10.089 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -9.594 -10.254 10.076 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -7.780 -10.947 11.106 1.00 0.00 O ATOM 0 H ASP A 96 -8.781 -12.534 8.362 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.135 -9.809 7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.732 -11.046 8.818 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.181 -9.353 8.764 1.00 0.00 H new ATOM 1192 N LEU A 97 -7.513 -9.607 5.560 1.00 0.00 N ATOM 1193 CA LEU A 97 -6.697 -9.535 4.355 1.00 0.00 C ATOM 1194 C LEU A 97 -6.654 -8.109 3.814 1.00 0.00 C ATOM 1195 O LEU A 97 -5.633 -7.428 3.910 1.00 0.00 O ATOM 1196 CB LEU A 97 -7.239 -10.486 3.286 1.00 0.00 C ATOM 1197 CG LEU A 97 -6.402 -10.570 2.007 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -5.494 -11.789 2.041 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -7.301 -10.607 0.780 1.00 0.00 C ATOM 0 H LEU A 97 -8.056 -8.765 5.752 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.682 -9.837 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.318 -11.484 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.249 -10.172 3.021 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.777 -9.679 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.907 -11.831 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.824 -11.720 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.099 -12.691 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.687 -10.667 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.953 -11.479 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.907 -9.702 0.746 1.00 0.00 H new ATOM 1211 N LEU A 98 -7.770 -7.661 3.248 1.00 0.00 N ATOM 1212 CA LEU A 98 -7.863 -6.315 2.696 1.00 0.00 C ATOM 1213 C LEU A 98 -8.296 -5.310 3.761 1.00 0.00 C ATOM 1214 O LEU A 98 -8.127 -4.102 3.592 1.00 0.00 O ATOM 1215 CB LEU A 98 -8.848 -6.290 1.525 1.00 0.00 C ATOM 1216 CG LEU A 98 -8.342 -6.948 0.240 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -9.466 -7.695 -0.459 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -7.734 -5.906 -0.687 1.00 0.00 C ATOM 0 H LEU A 98 -8.624 -8.212 3.160 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.873 -6.030 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.767 -6.788 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.105 -5.253 1.308 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.568 -7.668 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.085 -8.156 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.856 -8.468 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.265 -6.997 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.379 -6.391 -1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.489 -5.162 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.898 -5.417 -0.186 1.00 0.00 H new ATOM 1230 N LYS A 99 -8.857 -5.814 4.859 1.00 0.00 N ATOM 1231 CA LYS A 99 -9.315 -4.958 5.950 1.00 0.00 C ATOM 1232 C LYS A 99 -8.203 -4.031 6.434 1.00 0.00 C ATOM 1233 O LYS A 99 -8.471 -2.967 6.993 1.00 0.00 O ATOM 1234 CB LYS A 99 -9.823 -5.815 7.113 1.00 0.00 C ATOM 1235 CG LYS A 99 -11.336 -5.798 7.265 1.00 0.00 C ATOM 1236 CD LYS A 99 -11.754 -5.189 8.591 1.00 0.00 C ATOM 1237 CE LYS A 99 -13.270 -5.200 8.755 1.00 0.00 C ATOM 1238 NZ LYS A 99 -13.934 -4.253 7.823 1.00 0.00 N ATOM 0 H LYS A 99 -9.005 -6.811 5.016 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.130 -4.340 5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.492 -6.843 6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.369 -5.462 8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.779 -5.230 6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.722 -6.815 7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.294 -5.744 9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.387 -4.165 8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.647 -6.207 8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.526 -4.939 9.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.949 -4.202 8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.509 -3.309 7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.810 -4.584 6.845 1.00 0.00 H new ATOM 1252 N GLN A 100 -6.956 -4.437 6.217 1.00 0.00 N ATOM 1253 CA GLN A 100 -5.810 -3.637 6.634 1.00 0.00 C ATOM 1254 C GLN A 100 -5.546 -2.512 5.640 1.00 0.00 C ATOM 1255 O GLN A 100 -5.320 -1.366 6.028 1.00 0.00 O ATOM 1256 CB GLN A 100 -4.568 -4.521 6.770 1.00 0.00 C ATOM 1257 CG GLN A 100 -3.833 -4.339 8.088 1.00 0.00 C ATOM 1258 CD GLN A 100 -3.981 -5.534 9.010 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -5.084 -6.040 9.218 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -2.867 -5.994 9.566 1.00 0.00 N ATOM 0 H GLN A 100 -6.714 -5.314 5.756 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.037 -3.194 7.604 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.863 -5.565 6.669 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.885 -4.302 5.949 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.775 -4.168 7.889 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.211 -3.449 8.590 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.974 -5.544 9.366 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.904 -6.797 10.193 1.00 0.00 H new ATOM 1269 N ALA A 101 -5.580 -2.850 4.356 1.00 0.00 N ATOM 1270 CA ALA A 101 -5.347 -1.873 3.300 1.00 0.00 C ATOM 1271 C ALA A 101 -6.446 -0.815 3.281 1.00 0.00 C ATOM 1272 O ALA A 101 -6.203 0.344 2.943 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.262 -2.575 1.953 1.00 0.00 C ATOM 0 H ALA A 101 -5.767 -3.795 4.021 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.401 -1.370 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.088 -1.838 1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.440 -3.291 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.197 -3.100 1.756 1.00 0.00 H new ATOM 1279 N LEU A 102 -7.657 -1.224 3.645 1.00 0.00 N ATOM 1280 CA LEU A 102 -8.791 -0.317 3.671 1.00 0.00 C ATOM 1281 C LEU A 102 -8.772 0.551 4.927 1.00 0.00 C ATOM 1282 O LEU A 102 -9.287 1.664 4.929 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.098 -1.108 3.601 1.00 0.00 C ATOM 1284 CG LEU A 102 -10.694 -1.258 2.196 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -11.132 -2.696 1.954 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -11.860 -0.301 1.999 1.00 0.00 C ATOM 0 H LEU A 102 -7.875 -2.180 3.926 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.721 0.339 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.925 -2.102 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.834 -0.621 4.241 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.923 -1.006 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.553 -2.785 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.272 -3.359 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.886 -2.975 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.267 -0.425 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.635 -0.516 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.514 0.725 2.126 1.00 0.00 H new ATOM 1298 N LEU A 103 -8.170 0.031 5.993 1.00 0.00 N ATOM 1299 CA LEU A 103 -8.086 0.759 7.254 1.00 0.00 C ATOM 1300 C LEU A 103 -7.071 1.896 7.166 1.00 0.00 C ATOM 1301 O LEU A 103 -7.207 2.914 7.850 1.00 0.00 O ATOM 1302 CB LEU A 103 -7.715 -0.191 8.392 1.00 0.00 C ATOM 1303 CG LEU A 103 -8.755 -0.310 9.507 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -8.543 -1.587 10.304 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -8.689 0.901 10.419 1.00 0.00 C ATOM 0 H LEU A 103 -7.734 -0.891 6.008 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.065 1.192 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.539 -1.182 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.774 0.142 8.829 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.745 -0.351 9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.293 -1.653 11.092 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.635 -2.448 9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.548 -1.577 10.750 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.435 0.803 11.208 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.696 0.968 10.864 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.889 1.803 9.841 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.062 1.722 6.324 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.026 2.735 6.156 1.00 0.00 C ATOM 1319 C ILE A 104 -5.451 3.799 5.146 1.00 0.00 C ATOM 1320 O ILE A 104 -5.216 4.989 5.351 1.00 0.00 O ATOM 1321 CB ILE A 104 -3.689 2.108 5.707 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -2.591 3.172 5.652 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -3.844 1.426 4.355 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -2.128 3.633 7.016 1.00 0.00 C ATOM 0 H ILE A 104 -5.938 0.890 5.747 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.884 3.205 7.129 1.00 0.00 H new ATOM 0 HB ILE A 104 -3.400 1.353 6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.738 2.774 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.957 4.032 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.891 0.990 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.595 0.640 4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.157 2.159 3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.349 4.387 6.900 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.970 4.061 7.560 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.731 2.784 7.572 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.068 3.359 4.054 1.00 0.00 N ATOM 1337 CA LEU A 105 -6.521 4.280 3.017 1.00 0.00 C ATOM 1338 C LEU A 105 -7.770 5.040 3.465 1.00 0.00 C ATOM 1339 O LEU A 105 -7.963 6.202 3.106 1.00 0.00 O ATOM 1340 CB LEU A 105 -6.813 3.529 1.716 1.00 0.00 C ATOM 1341 CG LEU A 105 -8.050 2.631 1.741 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.298 3.436 1.434 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -7.892 1.481 0.751 1.00 0.00 C ATOM 0 H LEU A 105 -6.265 2.376 3.864 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.720 4.998 2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.930 4.258 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.946 2.917 1.467 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.153 2.211 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.168 2.780 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.417 4.222 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.207 3.885 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.781 0.851 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.765 1.882 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.018 0.888 1.019 1.00 0.00 H new ATOM 1355 N HIS A 106 -8.614 4.376 4.247 1.00 0.00 N ATOM 1356 CA HIS A 106 -9.845 4.991 4.740 1.00 0.00 C ATOM 1357 C HIS A 106 -9.553 5.948 5.892 1.00 0.00 C ATOM 1358 O HIS A 106 -10.028 7.083 5.906 1.00 0.00 O ATOM 1359 CB HIS A 106 -10.836 3.917 5.193 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.220 4.439 5.430 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -12.836 4.409 6.664 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -13.108 5.004 4.581 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -14.043 4.934 6.564 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.234 5.305 5.312 1.00 0.00 N ATOM 0 H HIS A 106 -8.471 3.414 4.554 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.287 5.559 3.922 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.877 3.131 4.439 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.468 3.459 6.111 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -12.961 5.185 3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.754 5.042 7.370 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -15.079 5.744 4.946 1.00 0.00 H new ATOM 1373 N ASN A 107 -8.769 5.481 6.859 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.405 6.290 8.015 1.00 0.00 C ATOM 1375 C ASN A 107 -7.706 7.574 7.582 1.00 0.00 C ATOM 1376 O ASN A 107 -7.929 8.638 8.160 1.00 0.00 O ATOM 1377 CB ASN A 107 -7.510 5.498 8.965 1.00 0.00 C ATOM 1378 CG ASN A 107 -7.268 6.224 10.274 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -7.963 5.992 11.263 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -6.276 7.107 10.285 1.00 0.00 N ATOM 0 H ASN A 107 -8.372 4.541 6.863 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.322 6.557 8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.968 4.530 9.169 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.554 5.302 8.480 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.064 7.625 11.138 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -5.726 7.267 9.441 1.00 0.00 H new ATOM 1387 N ASP A 108 -6.864 7.464 6.562 1.00 0.00 N ATOM 1388 CA ASP A 108 -6.127 8.612 6.050 1.00 0.00 C ATOM 1389 C ASP A 108 -7.053 9.557 5.283 1.00 0.00 C ATOM 1390 O ASP A 108 -6.841 10.768 5.250 1.00 0.00 O ATOM 1391 CB ASP A 108 -4.985 8.156 5.146 1.00 0.00 C ATOM 1392 CG ASP A 108 -3.916 9.219 4.984 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -3.017 9.302 5.855 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -3.971 9.974 3.989 1.00 0.00 O ATOM 0 H ASP A 108 -6.674 6.590 6.072 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.711 9.150 6.902 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -4.536 7.253 5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.384 7.893 4.166 1.00 0.00 H new ATOM 1399 N LEU A 109 -8.087 8.988 4.666 1.00 0.00 N ATOM 1400 CA LEU A 109 -9.042 9.773 3.896 1.00 0.00 C ATOM 1401 C LEU A 109 -10.267 10.146 4.737 1.00 0.00 C ATOM 1402 O LEU A 109 -11.171 10.825 4.259 1.00 0.00 O ATOM 1403 CB LEU A 109 -9.487 8.999 2.656 1.00 0.00 C ATOM 1404 CG LEU A 109 -10.519 9.717 1.777 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -10.071 9.718 0.322 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -11.887 9.064 1.915 1.00 0.00 C ATOM 0 H LEU A 109 -8.282 7.987 4.686 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.543 10.693 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -8.608 8.777 2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.905 8.044 2.973 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.598 10.751 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.815 10.231 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.114 10.233 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.963 8.691 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.605 9.587 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.825 8.021 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.212 9.116 2.954 1.00 0.00 H new ATOM 1418 N HIS A 110 -10.284 9.709 5.995 1.00 0.00 N ATOM 1419 CA HIS A 110 -11.397 10.007 6.892 1.00 0.00 C ATOM 1420 C HIS A 110 -11.265 11.403 7.485 1.00 0.00 C ATOM 1421 O HIS A 110 -12.260 12.059 7.779 1.00 0.00 O ATOM 1422 CB HIS A 110 -11.464 8.971 8.014 1.00 0.00 C ATOM 1423 CG HIS A 110 -12.858 8.630 8.433 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -13.679 7.794 7.707 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -13.577 9.018 9.513 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -14.841 7.681 8.321 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -14.804 8.413 9.420 1.00 0.00 N ATOM 0 H HIS A 110 -9.542 9.149 6.414 1.00 0.00 H new ATOM 0 HA HIS A 110 -12.318 9.967 6.310 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.959 8.062 7.688 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.916 9.348 8.878 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -13.246 9.680 10.300 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.680 7.091 7.983 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.566 8.512 10.091 1.00 0.00 H new ATOM 1436 N GLU A 111 -10.025 11.850 7.662 1.00 0.00 N ATOM 1437 CA GLU A 111 -9.764 13.172 8.226 1.00 0.00 C ATOM 1438 C GLU A 111 -10.375 14.268 7.364 1.00 0.00 C ATOM 1439 O GLU A 111 -11.090 15.132 7.864 1.00 0.00 O ATOM 1440 CB GLU A 111 -8.252 13.399 8.369 1.00 0.00 C ATOM 1441 CG GLU A 111 -7.483 13.231 7.070 1.00 0.00 C ATOM 1442 CD GLU A 111 -5.980 13.227 7.283 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -5.469 12.268 7.902 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -5.316 14.180 6.827 1.00 0.00 O ATOM 0 H GLU A 111 -9.187 11.319 7.424 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.228 13.215 9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.079 14.403 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.857 12.701 9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.782 12.298 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.748 14.038 6.387 1.00 0.00 H new ATOM 1451 N TYR A 112 -10.096 14.226 6.063 1.00 0.00 N ATOM 1452 CA TYR A 112 -10.624 15.220 5.134 1.00 0.00 C ATOM 1453 C TYR A 112 -10.104 14.974 3.721 1.00 0.00 C ATOM 1454 O TYR A 112 -10.849 14.576 2.833 1.00 0.00 O ATOM 1455 CB TYR A 112 -10.254 16.633 5.590 1.00 0.00 C ATOM 1456 CG TYR A 112 -11.407 17.608 5.555 1.00 0.00 C ATOM 1457 CD1 TYR A 112 -12.286 17.709 6.625 1.00 0.00 C ATOM 1458 CD2 TYR A 112 -11.625 18.420 4.449 1.00 0.00 C ATOM 1459 CE1 TYR A 112 -13.352 18.597 6.595 1.00 0.00 C ATOM 1460 CE2 TYR A 112 -12.681 19.305 4.410 1.00 0.00 C ATOM 1461 CZ TYR A 112 -13.545 19.393 5.486 1.00 0.00 C ATOM 1462 OH TYR A 112 -14.596 20.285 5.455 1.00 0.00 O ATOM 0 H TYR A 112 -9.508 13.515 5.629 1.00 0.00 H new ATOM 0 HA TYR A 112 -11.710 15.127 5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -9.862 16.585 6.606 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -9.452 17.011 4.956 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -12.138 17.086 7.495 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -10.955 18.357 3.604 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -14.027 18.664 7.436 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -12.833 19.928 3.541 1.00 0.00 H new ATOM 0 HH TYR A 112 -14.589 20.769 4.603 1.00 0.00 H new ATOM 1472 N VAL A 113 -8.811 15.219 3.525 1.00 0.00 N ATOM 1473 CA VAL A 113 -8.170 15.035 2.226 1.00 0.00 C ATOM 1474 C VAL A 113 -9.033 15.586 1.091 1.00 0.00 C ATOM 1475 O VAL A 113 -9.112 14.990 0.014 1.00 0.00 O ATOM 1476 CB VAL A 113 -7.856 13.550 1.962 1.00 0.00 C ATOM 1477 CG1 VAL A 113 -9.135 12.731 1.867 1.00 0.00 C ATOM 1478 CG2 VAL A 113 -7.021 13.386 0.696 1.00 0.00 C ATOM 0 H VAL A 113 -8.182 15.549 4.257 1.00 0.00 H new ATOM 0 HA VAL A 113 -7.234 15.594 2.254 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.275 13.178 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -8.885 11.687 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -9.688 12.810 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.749 13.109 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.813 12.329 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.571 13.784 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.082 13.928 0.807 1.00 0.00 H new ATOM 1488 N GLU A 114 -9.670 16.716 1.343 1.00 0.00 N ATOM 1489 CA GLU A 114 -10.531 17.345 0.347 1.00 0.00 C ATOM 1490 C GLU A 114 -9.932 18.649 -0.158 1.00 0.00 C ATOM 1491 O GLU A 114 -10.179 19.066 -1.288 1.00 0.00 O ATOM 1492 CB GLU A 114 -11.924 17.599 0.932 1.00 0.00 C ATOM 1493 CG GLU A 114 -13.031 16.833 0.233 1.00 0.00 C ATOM 1494 CD GLU A 114 -13.224 17.263 -1.208 1.00 0.00 C ATOM 1495 OE1 GLU A 114 -13.195 18.482 -1.471 1.00 0.00 O ATOM 1496 OE2 GLU A 114 -13.398 16.379 -2.075 1.00 0.00 O ATOM 0 H GLU A 114 -9.610 17.220 2.228 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.617 16.662 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.919 17.329 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.142 18.666 0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.803 15.767 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.964 16.975 0.778 1.00 0.00 H new TER 1503 GLU A 114