USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= 1.01 K(o=1,f=-6!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.156 K(o=-0.16,f=-4!) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= 1.07 (180deg=-0.865!) USER MOD Single : A 27 SER OG : rot -178:sc= -0.639 USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= 0.81 (180deg=-0.378!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0686 F(o=-1.5!,f=-0.069) USER MOD Single : A 49 THR OG1 : rot 77:sc= 0.12 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -112:sc= 0.986 (180deg=-0.0356) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 0.561 (180deg=0.512) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -0.076 X(o=-0.076,f=-0.27) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -9.050 -6.719 -9.185 1.00 31.44 N ATOM 35 CA VAL A 3 -8.462 -6.051 -8.017 1.00 3.45 C ATOM 36 C VAL A 3 -7.279 -6.819 -7.420 1.00 51.24 C ATOM 37 O VAL A 3 -6.366 -6.221 -6.852 1.00 71.52 O ATOM 38 CB VAL A 3 -9.521 -5.793 -6.920 1.00 65.43 C ATOM 39 CG1 VAL A 3 -9.963 -7.089 -6.250 1.00 75.42 C ATOM 40 CG2 VAL A 3 -9.004 -4.793 -5.892 1.00 61.10 C ATOM 0 HA VAL A 3 -8.084 -5.097 -8.384 1.00 3.45 H new ATOM 0 HB VAL A 3 -10.398 -5.362 -7.403 1.00 65.43 H new ATOM 0 HG11 VAL A 3 -10.707 -6.868 -5.485 1.00 75.42 H new ATOM 0 HG12 VAL A 3 -10.396 -7.755 -6.996 1.00 75.42 H new ATOM 0 HG13 VAL A 3 -9.102 -7.572 -5.789 1.00 75.42 H new ATOM 0 HG21 VAL A 3 -9.766 -4.627 -5.130 1.00 61.10 H new ATOM 0 HG22 VAL A 3 -8.102 -5.186 -5.423 1.00 61.10 H new ATOM 0 HG23 VAL A 3 -8.774 -3.849 -6.386 1.00 61.10 H new ATOM 50 N ASP A 4 -7.285 -8.136 -7.582 1.00 31.22 N ATOM 51 CA ASP A 4 -6.206 -8.986 -7.082 1.00 32.20 C ATOM 52 C ASP A 4 -4.863 -8.598 -7.697 1.00 51.42 C ATOM 53 O ASP A 4 -3.814 -8.801 -7.086 1.00 63.32 O ATOM 54 CB ASP A 4 -6.501 -10.463 -7.357 1.00 54.35 C ATOM 55 CG ASP A 4 -7.621 -11.006 -6.491 1.00 71.30 C ATOM 56 OD1 ASP A 4 -8.797 -10.914 -6.901 1.00 71.32 O ATOM 57 OD2 ASP A 4 -7.329 -11.527 -5.398 1.00 11.21 O ATOM 0 H ASP A 4 -8.030 -8.644 -8.059 1.00 31.22 H new ATOM 0 HA ASP A 4 -6.146 -8.835 -6.004 1.00 32.20 H new ATOM 0 HB2 ASP A 4 -6.766 -10.587 -8.407 1.00 54.35 H new ATOM 0 HB3 ASP A 4 -5.598 -11.048 -7.185 1.00 54.35 H new ATOM 62 N HIS A 5 -4.894 -8.024 -8.899 1.00 64.51 N ATOM 63 CA HIS A 5 -3.669 -7.654 -9.592 1.00 61.43 C ATOM 64 C HIS A 5 -3.140 -6.353 -9.028 1.00 0.43 C ATOM 65 O HIS A 5 -1.931 -6.155 -8.913 1.00 11.42 O ATOM 66 CB HIS A 5 -3.903 -7.507 -11.097 1.00 1.04 C ATOM 67 CG HIS A 5 -4.044 -8.809 -11.822 1.00 13.23 C ATOM 68 ND1 HIS A 5 -2.966 -9.562 -12.233 1.00 61.31 N ATOM 69 CD2 HIS A 5 -5.147 -9.484 -12.221 1.00 40.10 C ATOM 70 CE1 HIS A 5 -3.399 -10.640 -12.857 1.00 10.12 C ATOM 71 NE2 HIS A 5 -4.718 -10.618 -12.863 1.00 13.34 N ATOM 0 H HIS A 5 -5.751 -7.808 -9.408 1.00 64.51 H new ATOM 0 HA HIS A 5 -2.938 -8.448 -9.439 1.00 61.43 H new ATOM 0 HB2 HIS A 5 -4.803 -6.914 -11.258 1.00 1.04 H new ATOM 0 HB3 HIS A 5 -3.073 -6.950 -11.531 1.00 1.04 H new ATOM 0 HD2 HIS A 5 -6.173 -9.186 -12.063 1.00 40.10 H new ATOM 0 HE1 HIS A 5 -2.779 -11.411 -13.290 1.00 10.12 H new ATOM 0 HE2 HIS A 5 -5.321 -11.329 -13.278 1.00 13.34 H new ATOM 80 N GLU A 6 -4.061 -5.475 -8.670 1.00 30.42 N ATOM 81 CA GLU A 6 -3.714 -4.199 -8.077 1.00 0.31 C ATOM 82 C GLU A 6 -3.225 -4.395 -6.653 1.00 61.41 C ATOM 83 O GLU A 6 -2.299 -3.724 -6.210 1.00 31.31 O ATOM 84 CB GLU A 6 -4.909 -3.249 -8.104 1.00 62.03 C ATOM 85 CG GLU A 6 -5.327 -2.846 -9.507 1.00 14.30 C ATOM 86 CD GLU A 6 -6.211 -3.859 -10.196 1.00 3.02 C ATOM 87 OE1 GLU A 6 -7.390 -3.971 -9.820 1.00 14.55 O ATOM 88 OE2 GLU A 6 -5.738 -4.523 -11.142 1.00 73.31 O ATOM 0 H GLU A 6 -5.063 -5.627 -8.782 1.00 30.42 H new ATOM 0 HA GLU A 6 -2.910 -3.754 -8.664 1.00 0.31 H new ATOM 0 HB2 GLU A 6 -5.753 -3.724 -7.604 1.00 62.03 H new ATOM 0 HB3 GLU A 6 -4.664 -2.353 -7.534 1.00 62.03 H new ATOM 0 HG2 GLU A 6 -5.853 -1.892 -9.459 1.00 14.30 H new ATOM 0 HG3 GLU A 6 -4.433 -2.688 -10.111 1.00 14.30 H new ATOM 95 N VAL A 7 -3.854 -5.322 -5.941 1.00 42.10 N ATOM 96 CA VAL A 7 -3.410 -5.690 -4.604 1.00 14.20 C ATOM 97 C VAL A 7 -1.999 -6.275 -4.661 1.00 11.13 C ATOM 98 O VAL A 7 -1.128 -5.909 -3.873 1.00 51.41 O ATOM 99 CB VAL A 7 -4.366 -6.710 -3.942 1.00 64.32 C ATOM 100 CG1 VAL A 7 -3.846 -7.131 -2.576 1.00 73.52 C ATOM 101 CG2 VAL A 7 -5.766 -6.130 -3.822 1.00 11.11 C ATOM 0 H VAL A 7 -4.674 -5.833 -6.268 1.00 42.10 H new ATOM 0 HA VAL A 7 -3.410 -4.784 -3.998 1.00 14.20 H new ATOM 0 HB VAL A 7 -4.411 -7.594 -4.577 1.00 64.32 H new ATOM 0 HG11 VAL A 7 -4.535 -7.848 -2.130 1.00 73.52 H new ATOM 0 HG12 VAL A 7 -2.864 -7.591 -2.686 1.00 73.52 H new ATOM 0 HG13 VAL A 7 -3.766 -6.256 -1.931 1.00 73.52 H new ATOM 0 HG21 VAL A 7 -6.424 -6.862 -3.354 1.00 11.11 H new ATOM 0 HG22 VAL A 7 -5.735 -5.227 -3.212 1.00 11.11 H new ATOM 0 HG23 VAL A 7 -6.144 -5.884 -4.814 1.00 11.11 H new ATOM 111 N ASN A 8 -1.780 -7.169 -5.620 1.00 1.33 N ATOM 112 CA ASN A 8 -0.463 -7.761 -5.846 1.00 32.42 C ATOM 113 C ASN A 8 0.535 -6.682 -6.252 1.00 73.23 C ATOM 114 O ASN A 8 1.716 -6.747 -5.906 1.00 64.14 O ATOM 115 CB ASN A 8 -0.560 -8.830 -6.938 1.00 51.52 C ATOM 116 CG ASN A 8 0.708 -9.645 -7.090 1.00 51.42 C ATOM 117 OD1 ASN A 8 0.917 -10.626 -6.378 1.00 4.03 O ATOM 118 ND2 ASN A 8 1.537 -9.278 -8.050 1.00 43.20 N ATOM 0 H ASN A 8 -2.503 -7.502 -6.258 1.00 1.33 H new ATOM 0 HA ASN A 8 -0.116 -8.225 -4.923 1.00 32.42 H new ATOM 0 HB2 ASN A 8 -1.389 -9.499 -6.709 1.00 51.52 H new ATOM 0 HB3 ASN A 8 -0.791 -8.349 -7.889 1.00 51.52 H new ATOM 0 HD21 ASN A 8 2.387 -9.815 -8.223 1.00 43.20 H new ATOM 0 HD22 ASN A 8 1.327 -8.458 -8.619 1.00 43.20 H new ATOM 125 N LEU A 9 0.046 -5.684 -6.977 1.00 74.25 N ATOM 126 CA LEU A 9 0.866 -4.558 -7.382 1.00 55.04 C ATOM 127 C LEU A 9 1.233 -3.712 -6.171 1.00 60.10 C ATOM 128 O LEU A 9 2.374 -3.295 -6.021 1.00 41.43 O ATOM 129 CB LEU A 9 0.126 -3.709 -8.418 1.00 54.24 C ATOM 130 CG LEU A 9 0.830 -2.419 -8.830 1.00 24.25 C ATOM 131 CD1 LEU A 9 2.149 -2.722 -9.527 1.00 63.43 C ATOM 132 CD2 LEU A 9 -0.074 -1.592 -9.726 1.00 24.31 C ATOM 0 H LEU A 9 -0.921 -5.635 -7.297 1.00 74.25 H new ATOM 0 HA LEU A 9 1.783 -4.937 -7.833 1.00 55.04 H new ATOM 0 HB2 LEU A 9 -0.037 -4.315 -9.309 1.00 54.24 H new ATOM 0 HB3 LEU A 9 -0.857 -3.456 -8.020 1.00 54.24 H new ATOM 0 HG LEU A 9 1.050 -1.842 -7.931 1.00 24.25 H new ATOM 0 HD11 LEU A 9 2.633 -1.788 -9.812 1.00 63.43 H new ATOM 0 HD12 LEU A 9 2.799 -3.276 -8.850 1.00 63.43 H new ATOM 0 HD13 LEU A 9 1.960 -3.319 -10.419 1.00 63.43 H new ATOM 0 HD21 LEU A 9 0.439 -0.674 -10.013 1.00 24.31 H new ATOM 0 HD22 LEU A 9 -0.322 -2.164 -10.620 1.00 24.31 H new ATOM 0 HD23 LEU A 9 -0.989 -1.343 -9.189 1.00 24.31 H new ATOM 144 N LEU A 10 0.255 -3.482 -5.305 1.00 72.32 N ATOM 145 CA LEU A 10 0.469 -2.739 -4.066 1.00 11.22 C ATOM 146 C LEU A 10 1.573 -3.397 -3.248 1.00 4.13 C ATOM 147 O LEU A 10 2.460 -2.729 -2.720 1.00 55.25 O ATOM 148 CB LEU A 10 -0.832 -2.703 -3.259 1.00 74.21 C ATOM 149 CG LEU A 10 -0.773 -1.943 -1.935 1.00 11.03 C ATOM 150 CD1 LEU A 10 -0.496 -0.468 -2.178 1.00 65.43 C ATOM 151 CD2 LEU A 10 -2.072 -2.128 -1.162 1.00 71.33 C ATOM 0 H LEU A 10 -0.704 -3.802 -5.438 1.00 72.32 H new ATOM 0 HA LEU A 10 0.771 -1.719 -4.306 1.00 11.22 H new ATOM 0 HB2 LEU A 10 -1.609 -2.256 -3.879 1.00 74.21 H new ATOM 0 HB3 LEU A 10 -1.139 -3.729 -3.054 1.00 74.21 H new ATOM 0 HG LEU A 10 0.044 -2.347 -1.337 1.00 11.03 H new ATOM 0 HD11 LEU A 10 -0.458 0.057 -1.224 1.00 65.43 H new ATOM 0 HD12 LEU A 10 0.459 -0.357 -2.692 1.00 65.43 H new ATOM 0 HD13 LEU A 10 -1.290 -0.045 -2.793 1.00 65.43 H new ATOM 0 HD21 LEU A 10 -2.016 -1.581 -0.221 1.00 71.33 H new ATOM 0 HD22 LEU A 10 -2.905 -1.748 -1.754 1.00 71.33 H new ATOM 0 HD23 LEU A 10 -2.226 -3.188 -0.958 1.00 71.33 H new ATOM 163 N VAL A 11 1.508 -4.716 -3.169 1.00 75.41 N ATOM 164 CA VAL A 11 2.515 -5.505 -2.481 1.00 3.12 C ATOM 165 C VAL A 11 3.895 -5.315 -3.126 1.00 0.15 C ATOM 166 O VAL A 11 4.913 -5.250 -2.432 1.00 54.22 O ATOM 167 CB VAL A 11 2.104 -6.996 -2.482 1.00 24.41 C ATOM 168 CG1 VAL A 11 3.215 -7.892 -1.975 1.00 73.42 C ATOM 169 CG2 VAL A 11 0.850 -7.194 -1.648 1.00 51.03 C ATOM 0 H VAL A 11 0.756 -5.269 -3.580 1.00 75.41 H new ATOM 0 HA VAL A 11 2.584 -5.162 -1.449 1.00 3.12 H new ATOM 0 HB VAL A 11 1.901 -7.279 -3.515 1.00 24.41 H new ATOM 0 HG11 VAL A 11 2.882 -8.930 -1.993 1.00 73.42 H new ATOM 0 HG12 VAL A 11 4.092 -7.781 -2.613 1.00 73.42 H new ATOM 0 HG13 VAL A 11 3.472 -7.611 -0.954 1.00 73.42 H new ATOM 0 HG21 VAL A 11 0.570 -8.247 -1.656 1.00 51.03 H new ATOM 0 HG22 VAL A 11 1.041 -6.877 -0.623 1.00 51.03 H new ATOM 0 HG23 VAL A 11 0.037 -6.600 -2.066 1.00 51.03 H new ATOM 179 N GLU A 12 3.914 -5.193 -4.451 1.00 53.32 N ATOM 180 CA GLU A 12 5.141 -4.954 -5.196 1.00 54.31 C ATOM 181 C GLU A 12 5.741 -3.601 -4.828 1.00 34.45 C ATOM 182 O GLU A 12 6.940 -3.485 -4.577 1.00 14.23 O ATOM 183 CB GLU A 12 4.841 -4.989 -6.693 1.00 45.31 C ATOM 184 CG GLU A 12 6.023 -4.630 -7.568 1.00 13.01 C ATOM 185 CD GLU A 12 7.071 -5.720 -7.619 1.00 32.33 C ATOM 186 OE1 GLU A 12 7.908 -5.800 -6.696 1.00 13.55 O ATOM 187 OE2 GLU A 12 7.067 -6.501 -8.594 1.00 33.24 O ATOM 0 H GLU A 12 3.080 -5.257 -5.035 1.00 53.32 H new ATOM 0 HA GLU A 12 5.860 -5.733 -4.943 1.00 54.31 H new ATOM 0 HB2 GLU A 12 4.495 -5.987 -6.960 1.00 45.31 H new ATOM 0 HB3 GLU A 12 4.023 -4.300 -6.905 1.00 45.31 H new ATOM 0 HG2 GLU A 12 5.671 -4.424 -8.579 1.00 13.01 H new ATOM 0 HG3 GLU A 12 6.478 -3.712 -7.196 1.00 13.01 H new ATOM 194 N GLU A 13 4.891 -2.586 -4.784 1.00 3.11 N ATOM 195 CA GLU A 13 5.329 -1.225 -4.502 1.00 71.30 C ATOM 196 C GLU A 13 5.949 -1.144 -3.113 1.00 53.22 C ATOM 197 O GLU A 13 6.921 -0.418 -2.888 1.00 71.20 O ATOM 198 CB GLU A 13 4.151 -0.259 -4.627 1.00 73.21 C ATOM 199 CG GLU A 13 3.356 -0.442 -5.915 1.00 50.52 C ATOM 200 CD GLU A 13 4.216 -0.350 -7.162 1.00 55.03 C ATOM 201 OE1 GLU A 13 5.011 -1.276 -7.426 1.00 53.24 O ATOM 202 OE2 GLU A 13 4.119 0.663 -7.874 1.00 65.45 O ATOM 0 H GLU A 13 3.887 -2.679 -4.941 1.00 3.11 H new ATOM 0 HA GLU A 13 6.089 -0.940 -5.230 1.00 71.30 H new ATOM 0 HB2 GLU A 13 3.485 -0.396 -3.775 1.00 73.21 H new ATOM 0 HB3 GLU A 13 4.523 0.765 -4.580 1.00 73.21 H new ATOM 0 HG2 GLU A 13 2.859 -1.412 -5.894 1.00 50.52 H new ATOM 0 HG3 GLU A 13 2.574 0.316 -5.963 1.00 50.52 H new ATOM 209 N ILE A 14 5.396 -1.915 -2.188 1.00 32.02 N ATOM 210 CA ILE A 14 5.948 -2.012 -0.844 1.00 42.10 C ATOM 211 C ILE A 14 7.309 -2.700 -0.879 1.00 40.43 C ATOM 212 O ILE A 14 8.187 -2.397 -0.082 1.00 71.12 O ATOM 213 CB ILE A 14 4.996 -2.757 0.112 1.00 70.44 C ATOM 214 CG1 ILE A 14 3.632 -2.066 0.120 1.00 61.33 C ATOM 215 CG2 ILE A 14 5.576 -2.800 1.522 1.00 54.33 C ATOM 216 CD1 ILE A 14 2.597 -2.763 0.972 1.00 64.11 C ATOM 0 H ILE A 14 4.564 -2.484 -2.344 1.00 32.02 H new ATOM 0 HA ILE A 14 6.070 -0.998 -0.464 1.00 42.10 H new ATOM 0 HB ILE A 14 4.876 -3.782 -0.238 1.00 70.44 H new ATOM 0 HG12 ILE A 14 3.755 -1.044 0.479 1.00 61.33 H new ATOM 0 HG13 ILE A 14 3.262 -2.002 -0.903 1.00 61.33 H new ATOM 0 HG21 ILE A 14 4.889 -3.330 2.182 1.00 54.33 H new ATOM 0 HG22 ILE A 14 6.535 -3.317 1.505 1.00 54.33 H new ATOM 0 HG23 ILE A 14 5.719 -1.783 1.888 1.00 54.33 H new ATOM 0 HD11 ILE A 14 1.657 -2.213 0.926 1.00 64.11 H new ATOM 0 HD12 ILE A 14 2.443 -3.776 0.601 1.00 64.11 H new ATOM 0 HD13 ILE A 14 2.943 -2.804 2.005 1.00 64.11 H new ATOM 228 N HIS A 15 7.485 -3.628 -1.811 1.00 11.21 N ATOM 229 CA HIS A 15 8.783 -4.275 -1.998 1.00 43.54 C ATOM 230 C HIS A 15 9.807 -3.266 -2.514 1.00 72.02 C ATOM 231 O HIS A 15 10.975 -3.300 -2.135 1.00 34.42 O ATOM 232 CB HIS A 15 8.702 -5.436 -3.001 1.00 2.32 C ATOM 233 CG HIS A 15 7.865 -6.598 -2.565 1.00 32.54 C ATOM 234 ND1 HIS A 15 7.507 -7.619 -3.417 1.00 31.41 N ATOM 235 CD2 HIS A 15 7.320 -6.908 -1.366 1.00 43.13 C ATOM 236 CE1 HIS A 15 6.778 -8.498 -2.765 1.00 64.41 C ATOM 237 NE2 HIS A 15 6.650 -8.094 -1.518 1.00 32.21 N ATOM 0 H HIS A 15 6.754 -3.949 -2.446 1.00 11.21 H new ATOM 0 HA HIS A 15 9.087 -4.666 -1.027 1.00 43.54 H new ATOM 0 HB2 HIS A 15 8.304 -5.055 -3.942 1.00 2.32 H new ATOM 0 HB3 HIS A 15 9.712 -5.792 -3.203 1.00 2.32 H new ATOM 0 HD2 HIS A 15 7.398 -6.329 -0.458 1.00 43.13 H new ATOM 0 HE1 HIS A 15 6.355 -9.400 -3.182 1.00 64.41 H new ATOM 0 HE2 HIS A 15 6.136 -8.584 -0.785 1.00 32.21 H new ATOM 246 N ARG A 16 9.355 -2.366 -3.384 1.00 43.54 N ATOM 247 CA ARG A 16 10.253 -1.424 -4.049 1.00 14.34 C ATOM 248 C ARG A 16 10.590 -0.230 -3.160 1.00 30.12 C ATOM 249 O ARG A 16 11.758 0.126 -2.998 1.00 35.22 O ATOM 250 CB ARG A 16 9.625 -0.907 -5.345 1.00 34.43 C ATOM 251 CG ARG A 16 9.229 -1.996 -6.327 1.00 63.31 C ATOM 252 CD ARG A 16 8.858 -1.412 -7.684 1.00 31.34 C ATOM 253 NE ARG A 16 7.681 -0.536 -7.628 1.00 21.34 N ATOM 254 CZ ARG A 16 7.722 0.794 -7.780 1.00 11.04 C ATOM 255 NH1 ARG A 16 8.889 1.429 -7.834 1.00 22.14 N ATOM 256 NH2 ARG A 16 6.601 1.492 -7.847 1.00 13.43 N ATOM 0 H ARG A 16 8.374 -2.269 -3.645 1.00 43.54 H new ATOM 0 HA ARG A 16 11.172 -1.968 -4.267 1.00 14.34 H new ATOM 0 HB2 ARG A 16 8.741 -0.319 -5.097 1.00 34.43 H new ATOM 0 HB3 ARG A 16 10.330 -0.233 -5.833 1.00 34.43 H new ATOM 0 HG2 ARG A 16 10.053 -2.699 -6.445 1.00 63.31 H new ATOM 0 HG3 ARG A 16 8.385 -2.558 -5.928 1.00 63.31 H new ATOM 0 HD2 ARG A 16 9.705 -0.849 -8.075 1.00 31.34 H new ATOM 0 HD3 ARG A 16 8.666 -2.226 -8.384 1.00 31.34 H new ATOM 0 HE ARG A 16 6.772 -0.969 -7.462 1.00 21.34 H new ATOM 0 HH11 ARG A 16 9.760 0.903 -7.760 1.00 22.14 H new ATOM 0 HH12 ARG A 16 8.913 2.442 -7.950 1.00 22.14 H new ATOM 0 HH21 ARG A 16 5.700 1.018 -7.783 1.00 13.43 H new ATOM 0 HH22 ARG A 16 6.637 2.505 -7.963 1.00 13.43 H new ATOM 270 N LEU A 17 9.567 0.382 -2.582 1.00 32.42 N ATOM 271 CA LEU A 17 9.743 1.620 -1.827 1.00 1.13 C ATOM 272 C LEU A 17 9.730 1.357 -0.328 1.00 11.20 C ATOM 273 O LEU A 17 9.916 2.271 0.476 1.00 52.23 O ATOM 274 CB LEU A 17 8.634 2.612 -2.184 1.00 22.42 C ATOM 275 CG LEU A 17 8.512 2.956 -3.672 1.00 64.21 C ATOM 276 CD1 LEU A 17 7.313 3.862 -3.909 1.00 42.42 C ATOM 277 CD2 LEU A 17 9.785 3.617 -4.179 1.00 72.34 C ATOM 0 H LEU A 17 8.605 0.044 -2.620 1.00 32.42 H new ATOM 0 HA LEU A 17 10.712 2.042 -2.093 1.00 1.13 H new ATOM 0 HB2 LEU A 17 7.682 2.204 -1.844 1.00 22.42 H new ATOM 0 HB3 LEU A 17 8.802 3.534 -1.628 1.00 22.42 H new ATOM 0 HG LEU A 17 8.364 2.029 -4.227 1.00 64.21 H new ATOM 0 HD11 LEU A 17 7.239 4.098 -4.971 1.00 42.42 H new ATOM 0 HD12 LEU A 17 6.404 3.354 -3.586 1.00 42.42 H new ATOM 0 HD13 LEU A 17 7.435 4.784 -3.340 1.00 42.42 H new ATOM 0 HD21 LEU A 17 9.676 3.852 -5.238 1.00 72.34 H new ATOM 0 HD22 LEU A 17 9.966 4.535 -3.620 1.00 72.34 H new ATOM 0 HD23 LEU A 17 10.627 2.938 -4.043 1.00 72.34 H new ATOM 289 N GLY A 18 9.512 0.110 0.039 1.00 52.34 N ATOM 290 CA GLY A 18 9.375 -0.233 1.434 1.00 32.10 C ATOM 291 C GLY A 18 10.692 -0.569 2.093 1.00 3.13 C ATOM 292 O GLY A 18 11.493 -1.338 1.559 1.00 51.15 O ATOM 0 H GLY A 18 9.427 -0.675 -0.606 1.00 52.34 H new ATOM 0 HA2 GLY A 18 8.913 0.600 1.963 1.00 32.10 H new ATOM 0 HA3 GLY A 18 8.701 -1.084 1.528 1.00 32.10 H new ATOM 296 N SER A 19 10.905 0.017 3.253 1.00 30.43 N ATOM 297 CA SER A 19 12.067 -0.268 4.068 1.00 41.23 C ATOM 298 C SER A 19 11.672 -1.254 5.158 1.00 71.12 C ATOM 299 O SER A 19 10.489 -1.358 5.494 1.00 54.53 O ATOM 300 CB SER A 19 12.598 1.026 4.676 1.00 23.31 C ATOM 301 OG SER A 19 12.851 1.993 3.664 1.00 4.14 O ATOM 0 H SER A 19 10.274 0.708 3.659 1.00 30.43 H new ATOM 0 HA SER A 19 12.856 -0.707 3.458 1.00 41.23 H new ATOM 0 HB2 SER A 19 11.875 1.421 5.390 1.00 23.31 H new ATOM 0 HB3 SER A 19 13.515 0.824 5.229 1.00 23.31 H new ATOM 0 HG SER A 19 13.189 2.816 4.075 1.00 4.14 H new ATOM 307 N LYS A 20 12.630 -1.987 5.703 1.00 61.00 N ATOM 308 CA LYS A 20 12.292 -3.022 6.668 1.00 62.35 C ATOM 309 C LYS A 20 11.969 -2.452 8.041 1.00 61.02 C ATOM 310 O LYS A 20 12.671 -1.591 8.578 1.00 44.54 O ATOM 311 CB LYS A 20 13.376 -4.093 6.774 1.00 23.11 C ATOM 312 CG LYS A 20 13.338 -5.080 5.620 1.00 24.13 C ATOM 313 CD LYS A 20 14.020 -6.393 5.969 1.00 4.34 C ATOM 314 CE LYS A 20 15.506 -6.218 6.224 1.00 34.44 C ATOM 315 NZ LYS A 20 16.144 -7.496 6.636 1.00 60.24 N ATOM 0 H LYS A 20 13.625 -1.889 5.501 1.00 61.00 H new ATOM 0 HA LYS A 20 11.389 -3.498 6.286 1.00 62.35 H new ATOM 0 HB2 LYS A 20 14.354 -3.613 6.804 1.00 23.11 H new ATOM 0 HB3 LYS A 20 13.257 -4.633 7.713 1.00 23.11 H new ATOM 0 HG2 LYS A 20 12.302 -5.273 5.342 1.00 24.13 H new ATOM 0 HG3 LYS A 20 13.825 -4.639 4.750 1.00 24.13 H new ATOM 0 HD2 LYS A 20 13.549 -6.821 6.854 1.00 4.34 H new ATOM 0 HD3 LYS A 20 13.874 -7.104 5.155 1.00 4.34 H new ATOM 0 HE2 LYS A 20 15.989 -5.844 5.321 1.00 34.44 H new ATOM 0 HE3 LYS A 20 15.657 -5.468 7.001 1.00 34.44 H new ATOM 0 HZ1 LYS A 20 17.159 -7.340 6.802 1.00 60.24 H new ATOM 0 HZ2 LYS A 20 15.699 -7.840 7.511 1.00 60.24 H new ATOM 0 HZ3 LYS A 20 16.021 -8.204 5.884 1.00 60.24 H new ATOM 329 N ASN A 21 10.876 -2.953 8.573 1.00 63.31 N ATOM 330 CA ASN A 21 10.347 -2.548 9.861 1.00 33.24 C ATOM 331 C ASN A 21 10.963 -3.404 10.965 1.00 23.30 C ATOM 332 O ASN A 21 11.708 -4.344 10.684 1.00 43.24 O ATOM 333 CB ASN A 21 8.821 -2.687 9.818 1.00 14.53 C ATOM 334 CG ASN A 21 8.098 -2.131 11.028 1.00 42.43 C ATOM 335 OD1 ASN A 21 8.603 -1.260 11.736 1.00 52.43 O ATOM 336 ND2 ASN A 21 6.888 -2.615 11.249 1.00 64.32 N ATOM 0 H ASN A 21 10.316 -3.670 8.113 1.00 63.31 H new ATOM 0 HA ASN A 21 10.600 -1.510 10.076 1.00 33.24 H new ATOM 0 HB2 ASN A 21 8.449 -2.182 8.926 1.00 14.53 H new ATOM 0 HB3 ASN A 21 8.569 -3.742 9.715 1.00 14.53 H new ATOM 0 HD21 ASN A 21 6.334 -2.267 12.032 1.00 64.32 H new ATOM 0 HD22 ASN A 21 6.508 -3.337 10.637 1.00 64.32 H new ATOM 343 N ALA A 22 10.629 -3.086 12.205 1.00 53.14 N ATOM 344 CA ALA A 22 11.239 -3.720 13.373 1.00 35.33 C ATOM 345 C ALA A 22 11.054 -5.238 13.383 1.00 21.20 C ATOM 346 O ALA A 22 11.951 -5.977 13.782 1.00 52.01 O ATOM 347 CB ALA A 22 10.671 -3.118 14.648 1.00 25.15 C ATOM 0 H ALA A 22 9.928 -2.382 12.435 1.00 53.14 H new ATOM 0 HA ALA A 22 12.311 -3.528 13.318 1.00 35.33 H new ATOM 0 HB1 ALA A 22 11.131 -3.596 15.513 1.00 25.15 H new ATOM 0 HB2 ALA A 22 10.881 -2.049 14.670 1.00 25.15 H new ATOM 0 HB3 ALA A 22 9.593 -3.277 14.676 1.00 25.15 H new ATOM 353 N ASP A 23 9.893 -5.701 12.935 1.00 24.42 N ATOM 354 CA ASP A 23 9.577 -7.130 12.967 1.00 11.23 C ATOM 355 C ASP A 23 10.241 -7.867 11.813 1.00 24.11 C ATOM 356 O ASP A 23 10.218 -9.095 11.759 1.00 43.31 O ATOM 357 CB ASP A 23 8.068 -7.355 12.875 1.00 24.14 C ATOM 358 CG ASP A 23 7.270 -6.434 13.767 1.00 21.01 C ATOM 359 OD1 ASP A 23 7.219 -6.670 14.988 1.00 32.35 O ATOM 360 OD2 ASP A 23 6.673 -5.474 13.237 1.00 52.31 O ATOM 0 H ASP A 23 9.156 -5.113 12.546 1.00 24.42 H new ATOM 0 HA ASP A 23 9.954 -7.518 13.913 1.00 11.23 H new ATOM 0 HB2 ASP A 23 7.749 -7.215 11.842 1.00 24.14 H new ATOM 0 HB3 ASP A 23 7.845 -8.389 13.140 1.00 24.14 H new ATOM 365 N GLY A 24 10.837 -7.120 10.898 1.00 1.25 N ATOM 366 CA GLY A 24 11.327 -7.713 9.674 1.00 52.15 C ATOM 367 C GLY A 24 10.298 -7.593 8.571 1.00 72.14 C ATOM 368 O GLY A 24 10.408 -8.227 7.525 1.00 34.00 O ATOM 0 H GLY A 24 10.990 -6.115 10.981 1.00 1.25 H new ATOM 0 HA2 GLY A 24 12.251 -7.221 9.371 1.00 52.15 H new ATOM 0 HA3 GLY A 24 11.565 -8.763 9.843 1.00 52.15 H new ATOM 372 N LYS A 25 9.285 -6.773 8.825 1.00 64.31 N ATOM 373 CA LYS A 25 8.239 -6.508 7.847 1.00 33.24 C ATOM 374 C LYS A 25 8.691 -5.406 6.904 1.00 63.43 C ATOM 375 O LYS A 25 9.696 -4.751 7.154 1.00 52.35 O ATOM 376 CB LYS A 25 6.945 -6.065 8.545 1.00 4.32 C ATOM 377 CG LYS A 25 6.370 -7.073 9.530 1.00 15.13 C ATOM 378 CD LYS A 25 5.009 -6.619 10.042 1.00 15.05 C ATOM 379 CE LYS A 25 4.487 -7.528 11.144 1.00 52.13 C ATOM 380 NZ LYS A 25 4.415 -6.828 12.457 1.00 21.51 N ATOM 0 H LYS A 25 9.166 -6.277 9.708 1.00 64.31 H new ATOM 0 HA LYS A 25 8.048 -7.425 7.290 1.00 33.24 H new ATOM 0 HB2 LYS A 25 7.136 -5.131 9.073 1.00 4.32 H new ATOM 0 HB3 LYS A 25 6.194 -5.853 7.784 1.00 4.32 H new ATOM 0 HG2 LYS A 25 6.275 -8.046 9.047 1.00 15.13 H new ATOM 0 HG3 LYS A 25 7.055 -7.199 10.369 1.00 15.13 H new ATOM 0 HD2 LYS A 25 5.084 -5.599 10.418 1.00 15.05 H new ATOM 0 HD3 LYS A 25 4.297 -6.603 9.217 1.00 15.05 H new ATOM 0 HE2 LYS A 25 3.497 -7.894 10.873 1.00 52.13 H new ATOM 0 HE3 LYS A 25 5.136 -8.400 11.233 1.00 52.13 H new ATOM 0 HZ1 LYS A 25 4.508 -7.522 13.226 1.00 21.51 H new ATOM 0 HZ2 LYS A 25 5.186 -6.133 12.523 1.00 21.51 H new ATOM 0 HZ3 LYS A 25 3.501 -6.340 12.540 1.00 21.51 H new ATOM 394 N LEU A 26 7.968 -5.210 5.822 1.00 60.01 N ATOM 395 CA LEU A 26 8.225 -4.084 4.941 1.00 74.44 C ATOM 396 C LEU A 26 7.213 -2.987 5.207 1.00 55.12 C ATOM 397 O LEU A 26 6.026 -3.258 5.393 1.00 3.11 O ATOM 398 CB LEU A 26 8.166 -4.519 3.479 1.00 42.53 C ATOM 399 CG LEU A 26 9.286 -5.460 3.040 1.00 22.00 C ATOM 400 CD1 LEU A 26 9.034 -5.964 1.633 1.00 53.15 C ATOM 401 CD2 LEU A 26 10.635 -4.760 3.120 1.00 1.22 C ATOM 0 H LEU A 26 7.199 -5.812 5.529 1.00 60.01 H new ATOM 0 HA LEU A 26 9.226 -3.702 5.140 1.00 74.44 H new ATOM 0 HB2 LEU A 26 7.209 -5.009 3.300 1.00 42.53 H new ATOM 0 HB3 LEU A 26 8.192 -3.629 2.850 1.00 42.53 H new ATOM 0 HG LEU A 26 9.301 -6.315 3.716 1.00 22.00 H new ATOM 0 HD11 LEU A 26 9.842 -6.633 1.336 1.00 53.15 H new ATOM 0 HD12 LEU A 26 8.087 -6.503 1.604 1.00 53.15 H new ATOM 0 HD13 LEU A 26 8.992 -5.119 0.946 1.00 53.15 H new ATOM 0 HD21 LEU A 26 11.420 -5.446 2.803 1.00 1.22 H new ATOM 0 HD22 LEU A 26 10.631 -3.887 2.467 1.00 1.22 H new ATOM 0 HD23 LEU A 26 10.821 -4.445 4.147 1.00 1.22 H new ATOM 413 N SER A 27 7.681 -1.757 5.268 1.00 45.53 N ATOM 414 CA SER A 27 6.800 -0.633 5.507 1.00 14.15 C ATOM 415 C SER A 27 7.191 0.542 4.615 1.00 45.44 C ATOM 416 O SER A 27 8.375 0.784 4.370 1.00 1.21 O ATOM 417 CB SER A 27 6.855 -0.253 6.991 1.00 72.33 C ATOM 418 OG SER A 27 6.581 -1.383 7.805 1.00 2.31 O ATOM 0 H SER A 27 8.664 -1.511 5.156 1.00 45.53 H new ATOM 0 HA SER A 27 5.775 -0.908 5.258 1.00 14.15 H new ATOM 0 HB2 SER A 27 7.840 0.147 7.234 1.00 72.33 H new ATOM 0 HB3 SER A 27 6.131 0.535 7.198 1.00 72.33 H new ATOM 0 HG SER A 27 6.590 -1.117 8.748 1.00 2.31 H new ATOM 424 N VAL A 28 6.195 1.258 4.119 1.00 35.24 N ATOM 425 CA VAL A 28 6.431 2.393 3.239 1.00 33.32 C ATOM 426 C VAL A 28 5.465 3.523 3.570 1.00 22.53 C ATOM 427 O VAL A 28 4.288 3.286 3.818 1.00 62.51 O ATOM 428 CB VAL A 28 6.290 1.993 1.746 1.00 71.12 C ATOM 429 CG1 VAL A 28 4.920 1.395 1.460 1.00 40.41 C ATOM 430 CG2 VAL A 28 6.550 3.185 0.834 1.00 53.52 C ATOM 0 H VAL A 28 5.211 1.073 4.312 1.00 35.24 H new ATOM 0 HA VAL A 28 7.454 2.734 3.400 1.00 33.32 H new ATOM 0 HB VAL A 28 7.042 1.231 1.540 1.00 71.12 H new ATOM 0 HG11 VAL A 28 4.854 1.125 0.406 1.00 40.41 H new ATOM 0 HG12 VAL A 28 4.777 0.504 2.072 1.00 40.41 H new ATOM 0 HG13 VAL A 28 4.147 2.126 1.697 1.00 40.41 H new ATOM 0 HG21 VAL A 28 6.445 2.877 -0.206 1.00 53.52 H new ATOM 0 HG22 VAL A 28 5.831 3.974 1.053 1.00 53.52 H new ATOM 0 HG23 VAL A 28 7.561 3.558 1.002 1.00 53.52 H new ATOM 440 N LYS A 29 5.965 4.748 3.583 1.00 62.41 N ATOM 441 CA LYS A 29 5.142 5.897 3.931 1.00 52.22 C ATOM 442 C LYS A 29 4.277 6.318 2.752 1.00 22.11 C ATOM 443 O LYS A 29 4.695 6.206 1.596 1.00 73.43 O ATOM 444 CB LYS A 29 6.019 7.066 4.379 1.00 71.32 C ATOM 445 CG LYS A 29 6.983 6.692 5.486 1.00 24.14 C ATOM 446 CD LYS A 29 7.766 7.892 5.980 1.00 12.13 C ATOM 447 CE LYS A 29 8.804 7.482 7.009 1.00 60.44 C ATOM 448 NZ LYS A 29 8.195 6.833 8.202 1.00 20.43 N ATOM 0 H LYS A 29 6.934 4.973 3.357 1.00 62.41 H new ATOM 0 HA LYS A 29 4.489 5.609 4.755 1.00 52.22 H new ATOM 0 HB2 LYS A 29 6.583 7.438 3.524 1.00 71.32 H new ATOM 0 HB3 LYS A 29 5.381 7.882 4.720 1.00 71.32 H new ATOM 0 HG2 LYS A 29 6.430 6.252 6.316 1.00 24.14 H new ATOM 0 HG3 LYS A 29 7.674 5.931 5.124 1.00 24.14 H new ATOM 0 HD2 LYS A 29 8.257 8.381 5.139 1.00 12.13 H new ATOM 0 HD3 LYS A 29 7.083 8.620 6.418 1.00 12.13 H new ATOM 0 HE2 LYS A 29 9.516 6.796 6.550 1.00 60.44 H new ATOM 0 HE3 LYS A 29 9.366 8.361 7.324 1.00 60.44 H new ATOM 0 HZ1 LYS A 29 8.854 6.893 9.004 1.00 20.43 H new ATOM 0 HZ2 LYS A 29 7.308 7.318 8.446 1.00 20.43 H new ATOM 0 HZ3 LYS A 29 7.997 5.834 7.991 1.00 20.43 H new ATOM 462 N PHE A 30 3.077 6.806 3.056 1.00 41.11 N ATOM 463 CA PHE A 30 2.138 7.251 2.034 1.00 22.35 C ATOM 464 C PHE A 30 2.777 8.269 1.095 1.00 43.25 C ATOM 465 O PHE A 30 2.589 8.199 -0.117 1.00 3.24 O ATOM 466 CB PHE A 30 0.895 7.860 2.688 1.00 3.24 C ATOM 467 CG PHE A 30 -0.124 8.333 1.694 1.00 34.42 C ATOM 468 CD1 PHE A 30 -0.953 7.426 1.061 1.00 12.12 C ATOM 469 CD2 PHE A 30 -0.245 9.679 1.387 1.00 1.12 C ATOM 470 CE1 PHE A 30 -1.887 7.851 0.136 1.00 34.40 C ATOM 471 CE2 PHE A 30 -1.176 10.112 0.465 1.00 42.11 C ATOM 472 CZ PHE A 30 -1.999 9.196 -0.163 1.00 40.05 C ATOM 0 H PHE A 30 2.731 6.903 4.011 1.00 41.11 H new ATOM 0 HA PHE A 30 1.850 6.380 1.446 1.00 22.35 H new ATOM 0 HB2 PHE A 30 0.437 7.119 3.343 1.00 3.24 H new ATOM 0 HB3 PHE A 30 1.197 8.698 3.316 1.00 3.24 H new ATOM 0 HD1 PHE A 30 -0.870 6.374 1.292 1.00 12.12 H new ATOM 0 HD2 PHE A 30 0.397 10.397 1.875 1.00 1.12 H new ATOM 0 HE1 PHE A 30 -2.529 7.133 -0.353 1.00 34.40 H new ATOM 0 HE2 PHE A 30 -1.261 11.164 0.235 1.00 42.11 H new ATOM 0 HZ PHE A 30 -2.728 9.531 -0.886 1.00 40.05 H new ATOM 482 N GLY A 31 3.544 9.195 1.659 1.00 61.33 N ATOM 483 CA GLY A 31 4.197 10.219 0.861 1.00 32.13 C ATOM 484 C GLY A 31 5.083 9.642 -0.229 1.00 72.51 C ATOM 485 O GLY A 31 5.127 10.163 -1.344 1.00 41.22 O ATOM 0 H GLY A 31 3.727 9.256 2.661 1.00 61.33 H new ATOM 0 HA2 GLY A 31 3.439 10.857 0.407 1.00 32.13 H new ATOM 0 HA3 GLY A 31 4.798 10.853 1.513 1.00 32.13 H new ATOM 489 N VAL A 32 5.769 8.551 0.087 1.00 11.11 N ATOM 490 CA VAL A 32 6.677 7.916 -0.861 1.00 40.31 C ATOM 491 C VAL A 32 5.894 7.131 -1.910 1.00 11.21 C ATOM 492 O VAL A 32 6.188 7.199 -3.107 1.00 32.51 O ATOM 493 CB VAL A 32 7.666 6.971 -0.142 1.00 43.01 C ATOM 494 CG1 VAL A 32 8.690 6.404 -1.117 1.00 43.44 C ATOM 495 CG2 VAL A 32 8.361 7.695 1.005 1.00 74.41 C ATOM 0 H VAL A 32 5.714 8.087 0.993 1.00 11.11 H new ATOM 0 HA VAL A 32 7.245 8.707 -1.351 1.00 40.31 H new ATOM 0 HB VAL A 32 7.096 6.138 0.269 1.00 43.01 H new ATOM 0 HG11 VAL A 32 9.373 5.743 -0.584 1.00 43.44 H new ATOM 0 HG12 VAL A 32 8.177 5.843 -1.898 1.00 43.44 H new ATOM 0 HG13 VAL A 32 9.254 7.220 -1.568 1.00 43.44 H new ATOM 0 HG21 VAL A 32 9.053 7.013 1.499 1.00 74.41 H new ATOM 0 HG22 VAL A 32 8.911 8.551 0.615 1.00 74.41 H new ATOM 0 HG23 VAL A 32 7.616 8.039 1.723 1.00 74.41 H new ATOM 505 N LEU A 33 4.882 6.404 -1.454 1.00 61.35 N ATOM 506 CA LEU A 33 4.055 5.591 -2.339 1.00 30.44 C ATOM 507 C LEU A 33 3.256 6.491 -3.285 1.00 71.22 C ATOM 508 O LEU A 33 3.197 6.245 -4.490 1.00 24.32 O ATOM 509 CB LEU A 33 3.119 4.705 -1.500 1.00 21.23 C ATOM 510 CG LEU A 33 2.514 3.485 -2.214 1.00 5.03 C ATOM 511 CD1 LEU A 33 1.957 2.501 -1.195 1.00 54.42 C ATOM 512 CD2 LEU A 33 1.415 3.897 -3.186 1.00 44.31 C ATOM 0 H LEU A 33 4.613 6.360 -0.471 1.00 61.35 H new ATOM 0 HA LEU A 33 4.693 4.947 -2.944 1.00 30.44 H new ATOM 0 HB2 LEU A 33 3.671 4.352 -0.629 1.00 21.23 H new ATOM 0 HB3 LEU A 33 2.302 5.325 -1.130 1.00 21.23 H new ATOM 0 HG LEU A 33 3.310 3.006 -2.783 1.00 5.03 H new ATOM 0 HD11 LEU A 33 1.532 1.642 -1.714 1.00 54.42 H new ATOM 0 HD12 LEU A 33 2.758 2.167 -0.536 1.00 54.42 H new ATOM 0 HD13 LEU A 33 1.181 2.989 -0.604 1.00 54.42 H new ATOM 0 HD21 LEU A 33 1.009 3.010 -3.673 1.00 44.31 H new ATOM 0 HD22 LEU A 33 0.621 4.408 -2.642 1.00 44.31 H new ATOM 0 HD23 LEU A 33 1.828 4.568 -3.939 1.00 44.31 H new ATOM 524 N PHE A 34 2.668 7.543 -2.723 1.00 13.43 N ATOM 525 CA PHE A 34 1.857 8.484 -3.488 1.00 23.25 C ATOM 526 C PHE A 34 2.682 9.102 -4.613 1.00 5.30 C ATOM 527 O PHE A 34 2.192 9.275 -5.727 1.00 74.14 O ATOM 528 CB PHE A 34 1.316 9.575 -2.557 1.00 12.43 C ATOM 529 CG PHE A 34 0.287 10.474 -3.183 1.00 64.23 C ATOM 530 CD1 PHE A 34 -0.957 9.982 -3.543 1.00 64.23 C ATOM 531 CD2 PHE A 34 0.560 11.816 -3.396 1.00 63.43 C ATOM 532 CE1 PHE A 34 -1.910 10.809 -4.106 1.00 31.34 C ATOM 533 CE2 PHE A 34 -0.389 12.649 -3.960 1.00 54.03 C ATOM 534 CZ PHE A 34 -1.626 12.144 -4.314 1.00 22.10 C ATOM 0 H PHE A 34 2.740 7.766 -1.730 1.00 13.43 H new ATOM 0 HA PHE A 34 1.017 7.951 -3.934 1.00 23.25 H new ATOM 0 HB2 PHE A 34 0.880 9.101 -1.678 1.00 12.43 H new ATOM 0 HB3 PHE A 34 2.150 10.185 -2.210 1.00 12.43 H new ATOM 0 HD1 PHE A 34 -1.185 8.939 -3.382 1.00 64.23 H new ATOM 0 HD2 PHE A 34 1.524 12.216 -3.119 1.00 63.43 H new ATOM 0 HE1 PHE A 34 -2.875 10.412 -4.383 1.00 31.34 H new ATOM 0 HE2 PHE A 34 -0.164 13.693 -4.124 1.00 54.03 H new ATOM 0 HZ PHE A 34 -2.369 12.793 -4.753 1.00 22.10 H new ATOM 544 N ARG A 35 3.941 9.408 -4.308 1.00 43.25 N ATOM 545 CA ARG A 35 4.880 9.929 -5.300 1.00 22.43 C ATOM 546 C ARG A 35 4.947 9.020 -6.524 1.00 21.24 C ATOM 547 O ARG A 35 4.879 9.486 -7.665 1.00 15.45 O ATOM 548 CB ARG A 35 6.279 10.045 -4.683 1.00 50.42 C ATOM 549 CG ARG A 35 7.393 10.140 -5.715 1.00 30.13 C ATOM 550 CD ARG A 35 8.708 9.616 -5.168 1.00 43.45 C ATOM 551 NE ARG A 35 9.578 9.129 -6.239 1.00 33.14 N ATOM 552 CZ ARG A 35 9.513 7.891 -6.739 1.00 35.24 C ATOM 553 NH1 ARG A 35 8.662 7.009 -6.224 1.00 42.12 N ATOM 554 NH2 ARG A 35 10.301 7.534 -7.747 1.00 13.33 N ATOM 0 H ARG A 35 4.337 9.303 -3.374 1.00 43.25 H new ATOM 0 HA ARG A 35 4.528 10.912 -5.613 1.00 22.43 H new ATOM 0 HB2 ARG A 35 6.313 10.926 -4.042 1.00 50.42 H new ATOM 0 HB3 ARG A 35 6.459 9.180 -4.045 1.00 50.42 H new ATOM 0 HG2 ARG A 35 7.116 9.572 -6.603 1.00 30.13 H new ATOM 0 HG3 ARG A 35 7.515 11.178 -6.025 1.00 30.13 H new ATOM 0 HD2 ARG A 35 9.216 10.408 -4.617 1.00 43.45 H new ATOM 0 HD3 ARG A 35 8.514 8.810 -4.461 1.00 43.45 H new ATOM 0 HE ARG A 35 10.272 9.769 -6.625 1.00 33.14 H new ATOM 0 HH11 ARG A 35 8.058 7.277 -5.447 1.00 42.12 H new ATOM 0 HH12 ARG A 35 8.613 6.065 -6.606 1.00 42.12 H new ATOM 0 HH21 ARG A 35 10.959 8.206 -8.143 1.00 13.33 H new ATOM 0 HH22 ARG A 35 10.248 6.588 -8.125 1.00 13.33 H new ATOM 568 N ASP A 36 5.079 7.722 -6.274 1.00 52.12 N ATOM 569 CA ASP A 36 5.265 6.752 -7.346 1.00 15.14 C ATOM 570 C ASP A 36 3.984 6.604 -8.154 1.00 23.34 C ATOM 571 O ASP A 36 4.021 6.523 -9.384 1.00 54.45 O ATOM 572 CB ASP A 36 5.696 5.397 -6.776 1.00 25.14 C ATOM 573 CG ASP A 36 6.680 4.672 -7.678 1.00 44.15 C ATOM 574 OD1 ASP A 36 6.246 4.019 -8.644 1.00 73.30 O ATOM 575 OD2 ASP A 36 7.902 4.754 -7.420 1.00 3.01 O ATOM 0 H ASP A 36 5.061 7.317 -5.338 1.00 52.12 H new ATOM 0 HA ASP A 36 6.053 7.114 -8.006 1.00 15.14 H new ATOM 0 HB2 ASP A 36 6.149 5.546 -5.796 1.00 25.14 H new ATOM 0 HB3 ASP A 36 4.815 4.772 -6.628 1.00 25.14 H new ATOM 580 N ASP A 37 2.848 6.595 -7.466 1.00 40.13 N ATOM 581 CA ASP A 37 1.556 6.488 -8.137 1.00 14.11 C ATOM 582 C ASP A 37 1.297 7.700 -9.026 1.00 73.21 C ATOM 583 O ASP A 37 0.862 7.552 -10.159 1.00 0.33 O ATOM 584 CB ASP A 37 0.417 6.336 -7.131 1.00 12.51 C ATOM 585 CG ASP A 37 -0.943 6.324 -7.811 1.00 62.53 C ATOM 586 OD1 ASP A 37 -1.234 5.358 -8.550 1.00 40.15 O ATOM 587 OD2 ASP A 37 -1.714 7.291 -7.624 1.00 42.15 O ATOM 0 H ASP A 37 2.794 6.660 -6.450 1.00 40.13 H new ATOM 0 HA ASP A 37 1.592 5.594 -8.760 1.00 14.11 H new ATOM 0 HB2 ASP A 37 0.550 5.411 -6.569 1.00 12.51 H new ATOM 0 HB3 ASP A 37 0.456 7.154 -6.412 1.00 12.51 H new ATOM 592 N LYS A 38 1.598 8.894 -8.524 1.00 52.21 N ATOM 593 CA LYS A 38 1.373 10.130 -9.283 1.00 74.44 C ATOM 594 C LYS A 38 2.177 10.159 -10.585 1.00 72.14 C ATOM 595 O LYS A 38 1.920 10.981 -11.461 1.00 61.42 O ATOM 596 CB LYS A 38 1.718 11.363 -8.440 1.00 15.03 C ATOM 597 CG LYS A 38 0.792 11.565 -7.250 1.00 63.21 C ATOM 598 CD LYS A 38 -0.670 11.560 -7.669 1.00 5.23 C ATOM 599 CE LYS A 38 -1.011 12.731 -8.577 1.00 13.44 C ATOM 600 NZ LYS A 38 -2.404 12.643 -9.086 1.00 61.22 N ATOM 0 H LYS A 38 1.998 9.037 -7.597 1.00 52.21 H new ATOM 0 HA LYS A 38 0.313 10.152 -9.537 1.00 74.44 H new ATOM 0 HB2 LYS A 38 2.743 11.272 -8.081 1.00 15.03 H new ATOM 0 HB3 LYS A 38 1.680 12.249 -9.074 1.00 15.03 H new ATOM 0 HG2 LYS A 38 0.963 10.776 -6.517 1.00 63.21 H new ATOM 0 HG3 LYS A 38 1.028 12.511 -6.762 1.00 63.21 H new ATOM 0 HD2 LYS A 38 -0.896 10.626 -8.183 1.00 5.23 H new ATOM 0 HD3 LYS A 38 -1.301 11.595 -6.781 1.00 5.23 H new ATOM 0 HE2 LYS A 38 -0.881 13.665 -8.031 1.00 13.44 H new ATOM 0 HE3 LYS A 38 -0.317 12.754 -9.417 1.00 13.44 H new ATOM 0 HZ1 LYS A 38 -2.601 13.458 -9.701 1.00 61.22 H new ATOM 0 HZ2 LYS A 38 -2.520 11.763 -9.628 1.00 61.22 H new ATOM 0 HZ3 LYS A 38 -3.067 12.646 -8.285 1.00 61.22 H new ATOM 614 N SER A 39 3.148 9.264 -10.699 1.00 53.54 N ATOM 615 CA SER A 39 3.996 9.202 -11.877 1.00 34.40 C ATOM 616 C SER A 39 3.301 8.452 -13.021 1.00 20.35 C ATOM 617 O SER A 39 3.350 8.880 -14.176 1.00 34.43 O ATOM 618 CB SER A 39 5.324 8.523 -11.516 1.00 71.12 C ATOM 619 OG SER A 39 6.242 8.526 -12.600 1.00 72.22 O ATOM 0 H SER A 39 3.367 8.569 -9.986 1.00 53.54 H new ATOM 0 HA SER A 39 4.192 10.218 -12.221 1.00 34.40 H new ATOM 0 HB2 SER A 39 5.771 9.034 -10.663 1.00 71.12 H new ATOM 0 HB3 SER A 39 5.132 7.495 -11.208 1.00 71.12 H new ATOM 0 HG SER A 39 7.073 8.086 -12.326 1.00 72.22 H new ATOM 625 N ALA A 40 2.634 7.348 -12.698 1.00 74.15 N ATOM 626 CA ALA A 40 2.056 6.484 -13.729 1.00 63.54 C ATOM 627 C ALA A 40 0.543 6.329 -13.589 1.00 52.42 C ATOM 628 O ALA A 40 -0.117 5.827 -14.501 1.00 22.33 O ATOM 629 CB ALA A 40 2.718 5.116 -13.684 1.00 44.34 C ATOM 0 H ALA A 40 2.480 7.030 -11.741 1.00 74.15 H new ATOM 0 HA ALA A 40 2.243 6.963 -14.690 1.00 63.54 H new ATOM 0 HB1 ALA A 40 2.285 4.477 -14.453 1.00 44.34 H new ATOM 0 HB2 ALA A 40 3.788 5.224 -13.862 1.00 44.34 H new ATOM 0 HB3 ALA A 40 2.557 4.666 -12.705 1.00 44.34 H new ATOM 635 N ASN A 41 0.010 6.780 -12.463 1.00 20.42 N ATOM 636 CA ASN A 41 -1.363 6.475 -12.056 1.00 72.42 C ATOM 637 C ASN A 41 -1.559 4.967 -12.063 1.00 2.33 C ATOM 638 O ASN A 41 -2.218 4.399 -12.941 1.00 2.43 O ATOM 639 CB ASN A 41 -2.410 7.163 -12.937 1.00 31.11 C ATOM 640 CG ASN A 41 -3.816 7.034 -12.369 1.00 13.22 C ATOM 641 OD1 ASN A 41 -3.928 6.954 -11.048 1.00 52.51 O flip ATOM 642 ND2 ASN A 41 -4.797 7.003 -13.110 1.00 73.14 N flip ATOM 0 H ASN A 41 0.515 7.369 -11.801 1.00 20.42 H new ATOM 0 HA ASN A 41 -1.510 6.867 -11.050 1.00 72.42 H new ATOM 0 HB2 ASN A 41 -2.158 8.218 -13.041 1.00 31.11 H new ATOM 0 HB3 ASN A 41 -2.383 6.729 -13.936 1.00 31.11 H new ATOM 0 HD21 ASN A 41 -4.675 7.067 -14.121 1.00 73.14 H new ATOM 0 HD22 ASN A 41 -5.733 6.913 -12.714 1.00 73.14 H new ATOM 649 N LEU A 42 -0.931 4.328 -11.096 1.00 74.43 N ATOM 650 CA LEU A 42 -0.906 2.883 -11.002 1.00 61.14 C ATOM 651 C LEU A 42 -2.185 2.376 -10.365 1.00 3.35 C ATOM 652 O LEU A 42 -2.768 1.386 -10.806 1.00 62.21 O ATOM 653 CB LEU A 42 0.305 2.456 -10.178 1.00 54.22 C ATOM 654 CG LEU A 42 1.646 2.963 -10.709 1.00 73.11 C ATOM 655 CD1 LEU A 42 2.725 2.826 -9.650 1.00 22.33 C ATOM 656 CD2 LEU A 42 2.038 2.203 -11.968 1.00 21.41 C ATOM 0 H LEU A 42 -0.421 4.800 -10.349 1.00 74.43 H new ATOM 0 HA LEU A 42 -0.831 2.455 -12.002 1.00 61.14 H new ATOM 0 HB2 LEU A 42 0.176 2.811 -9.156 1.00 54.22 H new ATOM 0 HB3 LEU A 42 0.334 1.367 -10.136 1.00 54.22 H new ATOM 0 HG LEU A 42 1.541 4.019 -10.959 1.00 73.11 H new ATOM 0 HD11 LEU A 42 3.672 3.192 -10.046 1.00 22.33 H new ATOM 0 HD12 LEU A 42 2.449 3.410 -8.772 1.00 22.33 H new ATOM 0 HD13 LEU A 42 2.829 1.778 -9.370 1.00 22.33 H new ATOM 0 HD21 LEU A 42 2.995 2.575 -12.334 1.00 21.41 H new ATOM 0 HD22 LEU A 42 2.125 1.141 -11.740 1.00 21.41 H new ATOM 0 HD23 LEU A 42 1.275 2.348 -12.733 1.00 21.41 H new ATOM 668 N PHE A 43 -2.624 3.072 -9.335 1.00 4.10 N ATOM 669 CA PHE A 43 -3.818 2.686 -8.617 1.00 63.13 C ATOM 670 C PHE A 43 -4.948 3.661 -8.912 1.00 44.22 C ATOM 671 O PHE A 43 -4.937 4.798 -8.443 1.00 33.52 O ATOM 672 CB PHE A 43 -3.534 2.635 -7.117 1.00 1.24 C ATOM 673 CG PHE A 43 -2.339 1.796 -6.759 1.00 75.55 C ATOM 674 CD1 PHE A 43 -2.406 0.414 -6.806 1.00 73.54 C ATOM 675 CD2 PHE A 43 -1.150 2.393 -6.370 1.00 73.22 C ATOM 676 CE1 PHE A 43 -1.310 -0.357 -6.471 1.00 75.22 C ATOM 677 CE2 PHE A 43 -0.051 1.626 -6.037 1.00 43.24 C ATOM 678 CZ PHE A 43 -0.133 0.249 -6.085 1.00 4.41 C ATOM 0 H PHE A 43 -2.168 3.911 -8.977 1.00 4.10 H new ATOM 0 HA PHE A 43 -4.123 1.693 -8.948 1.00 63.13 H new ATOM 0 HB2 PHE A 43 -3.378 3.650 -6.751 1.00 1.24 H new ATOM 0 HB3 PHE A 43 -4.411 2.242 -6.603 1.00 1.24 H new ATOM 0 HD1 PHE A 43 -3.325 -0.066 -7.108 1.00 73.54 H new ATOM 0 HD2 PHE A 43 -1.082 3.470 -6.327 1.00 73.22 H new ATOM 0 HE1 PHE A 43 -1.375 -1.434 -6.511 1.00 75.22 H new ATOM 0 HE2 PHE A 43 0.871 2.103 -5.739 1.00 43.24 H new ATOM 0 HZ PHE A 43 0.724 -0.353 -5.821 1.00 4.41 H new ATOM 688 N GLU A 44 -5.913 3.216 -9.710 1.00 70.23 N ATOM 689 CA GLU A 44 -7.073 4.034 -10.035 1.00 35.51 C ATOM 690 C GLU A 44 -7.776 4.469 -8.752 1.00 3.41 C ATOM 691 O GLU A 44 -8.214 5.611 -8.622 1.00 64.44 O ATOM 692 CB GLU A 44 -8.038 3.256 -10.927 1.00 2.24 C ATOM 693 CG GLU A 44 -9.202 4.090 -11.423 1.00 24.41 C ATOM 694 CD GLU A 44 -10.224 3.270 -12.176 1.00 4.44 C ATOM 695 OE1 GLU A 44 -10.030 3.033 -13.385 1.00 72.54 O ATOM 696 OE2 GLU A 44 -11.233 2.865 -11.565 1.00 20.24 O ATOM 0 H GLU A 44 -5.914 2.293 -10.143 1.00 70.23 H new ATOM 0 HA GLU A 44 -6.740 4.920 -10.576 1.00 35.51 H new ATOM 0 HB2 GLU A 44 -7.492 2.862 -11.784 1.00 2.24 H new ATOM 0 HB3 GLU A 44 -8.424 2.400 -10.373 1.00 2.24 H new ATOM 0 HG2 GLU A 44 -9.684 4.575 -10.574 1.00 24.41 H new ATOM 0 HG3 GLU A 44 -8.827 4.881 -12.072 1.00 24.41 H new ATOM 703 N ALA A 45 -7.868 3.546 -7.806 1.00 52.13 N ATOM 704 CA ALA A 45 -8.392 3.847 -6.490 1.00 73.23 C ATOM 705 C ALA A 45 -7.400 3.372 -5.439 1.00 44.55 C ATOM 706 O ALA A 45 -7.484 2.239 -4.967 1.00 41.14 O ATOM 707 CB ALA A 45 -9.757 3.204 -6.288 1.00 74.33 C ATOM 0 H ALA A 45 -7.583 2.575 -7.931 1.00 52.13 H new ATOM 0 HA ALA A 45 -8.526 4.924 -6.393 1.00 73.23 H new ATOM 0 HB1 ALA A 45 -10.129 3.445 -5.292 1.00 74.33 H new ATOM 0 HB2 ALA A 45 -10.452 3.584 -7.037 1.00 74.33 H new ATOM 0 HB3 ALA A 45 -9.668 2.122 -6.390 1.00 74.33 H new ATOM 713 N LEU A 46 -6.442 4.235 -5.113 1.00 45.03 N ATOM 714 CA LEU A 46 -5.374 3.902 -4.174 1.00 65.34 C ATOM 715 C LEU A 46 -5.950 3.471 -2.832 1.00 3.12 C ATOM 716 O LEU A 46 -5.535 2.461 -2.263 1.00 54.43 O ATOM 717 CB LEU A 46 -4.439 5.106 -3.991 1.00 74.11 C ATOM 718 CG LEU A 46 -3.276 4.911 -3.011 1.00 22.11 C ATOM 719 CD1 LEU A 46 -2.425 3.717 -3.412 1.00 14.10 C ATOM 720 CD2 LEU A 46 -2.427 6.173 -2.949 1.00 32.24 C ATOM 0 H LEU A 46 -6.384 5.181 -5.490 1.00 45.03 H new ATOM 0 HA LEU A 46 -4.802 3.069 -4.583 1.00 65.34 H new ATOM 0 HB2 LEU A 46 -4.027 5.372 -4.964 1.00 74.11 H new ATOM 0 HB3 LEU A 46 -5.034 5.955 -3.654 1.00 74.11 H new ATOM 0 HG LEU A 46 -3.688 4.715 -2.021 1.00 22.11 H new ATOM 0 HD11 LEU A 46 -1.606 3.599 -2.702 1.00 14.10 H new ATOM 0 HD12 LEU A 46 -3.039 2.816 -3.412 1.00 14.10 H new ATOM 0 HD13 LEU A 46 -2.019 3.879 -4.410 1.00 14.10 H new ATOM 0 HD21 LEU A 46 -1.604 6.024 -2.250 1.00 32.24 H new ATOM 0 HD22 LEU A 46 -2.027 6.392 -3.939 1.00 32.24 H new ATOM 0 HD23 LEU A 46 -3.041 7.009 -2.613 1.00 32.24 H new ATOM 732 N VAL A 47 -6.922 4.226 -2.342 1.00 71.42 N ATOM 733 CA VAL A 47 -7.563 3.906 -1.073 1.00 41.34 C ATOM 734 C VAL A 47 -8.284 2.560 -1.155 1.00 13.21 C ATOM 735 O VAL A 47 -8.276 1.782 -0.204 1.00 60.45 O ATOM 736 CB VAL A 47 -8.567 5.002 -0.658 1.00 42.10 C ATOM 737 CG1 VAL A 47 -9.197 4.688 0.691 1.00 43.20 C ATOM 738 CG2 VAL A 47 -7.885 6.362 -0.628 1.00 65.24 C ATOM 0 H VAL A 47 -7.284 5.062 -2.801 1.00 71.42 H new ATOM 0 HA VAL A 47 -6.778 3.849 -0.319 1.00 41.34 H new ATOM 0 HB VAL A 47 -9.365 5.029 -1.400 1.00 42.10 H new ATOM 0 HG11 VAL A 47 -9.900 5.478 0.957 1.00 43.20 H new ATOM 0 HG12 VAL A 47 -9.725 3.736 0.633 1.00 43.20 H new ATOM 0 HG13 VAL A 47 -8.418 4.625 1.451 1.00 43.20 H new ATOM 0 HG21 VAL A 47 -8.606 7.124 -0.334 1.00 65.24 H new ATOM 0 HG22 VAL A 47 -7.065 6.342 0.090 1.00 65.24 H new ATOM 0 HG23 VAL A 47 -7.495 6.595 -1.619 1.00 65.24 H new ATOM 748 N GLY A 48 -8.885 2.285 -2.310 1.00 0.31 N ATOM 749 CA GLY A 48 -9.602 1.036 -2.500 1.00 40.14 C ATOM 750 C GLY A 48 -8.680 -0.170 -2.462 1.00 53.42 C ATOM 751 O GLY A 48 -8.980 -1.168 -1.804 1.00 3.12 O ATOM 0 H GLY A 48 -8.888 2.906 -3.119 1.00 0.31 H new ATOM 0 HA2 GLY A 48 -10.362 0.934 -1.725 1.00 40.14 H new ATOM 0 HA3 GLY A 48 -10.124 1.061 -3.457 1.00 40.14 H new ATOM 755 N THR A 49 -7.559 -0.076 -3.172 1.00 72.23 N ATOM 756 CA THR A 49 -6.545 -1.124 -3.160 1.00 55.40 C ATOM 757 C THR A 49 -6.019 -1.352 -1.738 1.00 41.41 C ATOM 758 O THR A 49 -5.830 -2.495 -1.311 1.00 4.10 O ATOM 759 CB THR A 49 -5.381 -0.765 -4.107 1.00 34.02 C ATOM 760 OG1 THR A 49 -5.900 -0.463 -5.410 1.00 33.31 O ATOM 761 CG2 THR A 49 -4.381 -1.907 -4.213 1.00 61.44 C ATOM 0 H THR A 49 -7.330 0.721 -3.766 1.00 72.23 H new ATOM 0 HA THR A 49 -7.007 -2.047 -3.511 1.00 55.40 H new ATOM 0 HB THR A 49 -4.865 0.104 -3.698 1.00 34.02 H new ATOM 0 HG1 THR A 49 -6.291 0.436 -5.406 1.00 33.31 H new ATOM 0 HG21 THR A 49 -3.574 -1.622 -4.887 1.00 61.44 H new ATOM 0 HG22 THR A 49 -3.971 -2.124 -3.227 1.00 61.44 H new ATOM 0 HG23 THR A 49 -4.882 -2.794 -4.601 1.00 61.44 H new ATOM 769 N LEU A 50 -5.804 -0.260 -1.006 1.00 71.22 N ATOM 770 CA LEU A 50 -5.370 -0.340 0.385 1.00 72.44 C ATOM 771 C LEU A 50 -6.411 -1.068 1.228 1.00 42.33 C ATOM 772 O LEU A 50 -6.082 -1.978 1.984 1.00 41.51 O ATOM 773 CB LEU A 50 -5.130 1.061 0.960 1.00 44.23 C ATOM 774 CG LEU A 50 -3.967 1.837 0.339 1.00 54.42 C ATOM 775 CD1 LEU A 50 -3.918 3.253 0.891 1.00 4.35 C ATOM 776 CD2 LEU A 50 -2.649 1.123 0.603 1.00 63.35 C ATOM 0 H LEU A 50 -5.924 0.691 -1.355 1.00 71.22 H new ATOM 0 HA LEU A 50 -4.434 -0.898 0.414 1.00 72.44 H new ATOM 0 HB2 LEU A 50 -6.041 1.646 0.837 1.00 44.23 H new ATOM 0 HB3 LEU A 50 -4.952 0.969 2.031 1.00 44.23 H new ATOM 0 HG LEU A 50 -4.125 1.889 -0.738 1.00 54.42 H new ATOM 0 HD11 LEU A 50 -3.085 3.791 0.439 1.00 4.35 H new ATOM 0 HD12 LEU A 50 -4.851 3.767 0.658 1.00 4.35 H new ATOM 0 HD13 LEU A 50 -3.783 3.218 1.972 1.00 4.35 H new ATOM 0 HD21 LEU A 50 -1.832 1.689 0.154 1.00 63.35 H new ATOM 0 HD22 LEU A 50 -2.487 1.043 1.678 1.00 63.35 H new ATOM 0 HD23 LEU A 50 -2.682 0.125 0.166 1.00 63.35 H new ATOM 788 N LYS A 51 -7.669 -0.664 1.076 1.00 12.31 N ATOM 789 CA LYS A 51 -8.779 -1.278 1.797 1.00 65.22 C ATOM 790 C LYS A 51 -8.875 -2.772 1.495 1.00 63.21 C ATOM 791 O LYS A 51 -9.101 -3.579 2.396 1.00 44.04 O ATOM 792 CB LYS A 51 -10.091 -0.583 1.424 1.00 23.34 C ATOM 793 CG LYS A 51 -10.209 0.826 1.982 1.00 25.43 C ATOM 794 CD LYS A 51 -10.481 0.806 3.475 1.00 54.44 C ATOM 795 CE LYS A 51 -11.884 0.300 3.761 1.00 34.54 C ATOM 796 NZ LYS A 51 -12.110 0.053 5.203 1.00 61.01 N ATOM 0 H LYS A 51 -7.947 0.094 0.453 1.00 12.31 H new ATOM 0 HA LYS A 51 -8.597 -1.160 2.865 1.00 65.22 H new ATOM 0 HB2 LYS A 51 -10.177 -0.544 0.338 1.00 23.34 H new ATOM 0 HB3 LYS A 51 -10.926 -1.181 1.788 1.00 23.34 H new ATOM 0 HG2 LYS A 51 -9.289 1.376 1.785 1.00 25.43 H new ATOM 0 HG3 LYS A 51 -11.013 1.356 1.471 1.00 25.43 H new ATOM 0 HD2 LYS A 51 -9.751 0.168 3.974 1.00 54.44 H new ATOM 0 HD3 LYS A 51 -10.361 1.809 3.885 1.00 54.44 H new ATOM 0 HE2 LYS A 51 -12.611 1.028 3.401 1.00 34.54 H new ATOM 0 HE3 LYS A 51 -12.055 -0.622 3.206 1.00 34.54 H new ATOM 0 HZ1 LYS A 51 -13.081 -0.291 5.348 1.00 61.01 H new ATOM 0 HZ2 LYS A 51 -11.435 -0.662 5.543 1.00 61.01 H new ATOM 0 HZ3 LYS A 51 -11.973 0.938 5.732 1.00 61.01 H new ATOM 810 N ALA A 52 -8.691 -3.126 0.229 1.00 32.22 N ATOM 811 CA ALA A 52 -8.741 -4.521 -0.199 1.00 10.52 C ATOM 812 C ALA A 52 -7.720 -5.366 0.556 1.00 74.45 C ATOM 813 O ALA A 52 -8.051 -6.404 1.133 1.00 33.10 O ATOM 814 CB ALA A 52 -8.493 -4.622 -1.698 1.00 13.41 C ATOM 0 H ALA A 52 -8.505 -2.463 -0.524 1.00 32.22 H new ATOM 0 HA ALA A 52 -9.736 -4.906 0.026 1.00 10.52 H new ATOM 0 HB1 ALA A 52 -8.533 -5.667 -2.004 1.00 13.41 H new ATOM 0 HB2 ALA A 52 -9.258 -4.058 -2.232 1.00 13.41 H new ATOM 0 HB3 ALA A 52 -7.510 -4.213 -1.933 1.00 13.41 H new ATOM 820 N ALA A 53 -6.481 -4.904 0.564 1.00 1.52 N ATOM 821 CA ALA A 53 -5.405 -5.632 1.214 1.00 63.30 C ATOM 822 C ALA A 53 -5.498 -5.511 2.732 1.00 53.32 C ATOM 823 O ALA A 53 -5.044 -6.392 3.457 1.00 34.12 O ATOM 824 CB ALA A 53 -4.059 -5.139 0.710 1.00 74.24 C ATOM 0 H ALA A 53 -6.195 -4.028 0.127 1.00 1.52 H new ATOM 0 HA ALA A 53 -5.503 -6.688 0.962 1.00 63.30 H new ATOM 0 HB1 ALA A 53 -3.261 -5.692 1.205 1.00 74.24 H new ATOM 0 HB2 ALA A 53 -3.995 -5.294 -0.367 1.00 74.24 H new ATOM 0 HB3 ALA A 53 -3.955 -4.077 0.930 1.00 74.24 H new ATOM 830 N LYS A 54 -6.089 -4.425 3.209 1.00 44.22 N ATOM 831 CA LYS A 54 -6.279 -4.234 4.641 1.00 22.23 C ATOM 832 C LYS A 54 -7.279 -5.259 5.171 1.00 51.25 C ATOM 833 O LYS A 54 -7.097 -5.812 6.259 1.00 45.21 O ATOM 834 CB LYS A 54 -6.755 -2.806 4.938 1.00 64.03 C ATOM 835 CG LYS A 54 -6.646 -2.415 6.405 1.00 11.24 C ATOM 836 CD LYS A 54 -6.962 -0.940 6.622 1.00 53.23 C ATOM 837 CE LYS A 54 -6.763 -0.537 8.077 1.00 22.32 C ATOM 838 NZ LYS A 54 -7.016 0.914 8.306 1.00 12.31 N ATOM 0 H LYS A 54 -6.444 -3.665 2.629 1.00 44.22 H new ATOM 0 HA LYS A 54 -5.325 -4.381 5.146 1.00 22.23 H new ATOM 0 HB2 LYS A 54 -6.170 -2.106 4.341 1.00 64.03 H new ATOM 0 HB3 LYS A 54 -7.793 -2.706 4.621 1.00 64.03 H new ATOM 0 HG2 LYS A 54 -7.330 -3.024 6.995 1.00 11.24 H new ATOM 0 HG3 LYS A 54 -5.639 -2.628 6.764 1.00 11.24 H new ATOM 0 HD2 LYS A 54 -6.322 -0.331 5.984 1.00 53.23 H new ATOM 0 HD3 LYS A 54 -7.991 -0.739 6.325 1.00 53.23 H new ATOM 0 HE2 LYS A 54 -7.431 -1.123 8.708 1.00 22.32 H new ATOM 0 HE3 LYS A 54 -5.744 -0.778 8.381 1.00 22.32 H new ATOM 0 HZ1 LYS A 54 -6.122 1.389 8.546 1.00 12.31 H new ATOM 0 HZ2 LYS A 54 -7.412 1.338 7.443 1.00 12.31 H new ATOM 0 HZ3 LYS A 54 -7.691 1.029 9.089 1.00 12.31 H new ATOM 852 N ARG A 55 -8.321 -5.530 4.382 1.00 14.21 N ATOM 853 CA ARG A 55 -9.304 -6.555 4.726 1.00 52.51 C ATOM 854 C ARG A 55 -8.659 -7.936 4.741 1.00 22.13 C ATOM 855 O ARG A 55 -8.980 -8.769 5.587 1.00 50.34 O ATOM 856 CB ARG A 55 -10.464 -6.583 3.728 1.00 34.33 C ATOM 857 CG ARG A 55 -11.366 -5.362 3.746 1.00 52.51 C ATOM 858 CD ARG A 55 -12.559 -5.588 2.834 1.00 70.32 C ATOM 859 NE ARG A 55 -13.393 -4.399 2.670 1.00 23.51 N ATOM 860 CZ ARG A 55 -14.331 -4.289 1.727 1.00 52.44 C ATOM 861 NH1 ARG A 55 -14.601 -5.326 0.940 1.00 44.00 N ATOM 862 NH2 ARG A 55 -15.013 -3.158 1.588 1.00 24.22 N ATOM 0 H ARG A 55 -8.504 -5.052 3.500 1.00 14.21 H new ATOM 0 HA ARG A 55 -9.685 -6.304 5.716 1.00 52.51 H new ATOM 0 HB2 ARG A 55 -10.055 -6.697 2.724 1.00 34.33 H new ATOM 0 HB3 ARG A 55 -11.071 -7.466 3.927 1.00 34.33 H new ATOM 0 HG2 ARG A 55 -11.706 -5.165 4.763 1.00 52.51 H new ATOM 0 HG3 ARG A 55 -10.810 -4.483 3.421 1.00 52.51 H new ATOM 0 HD2 ARG A 55 -12.204 -5.912 1.856 1.00 70.32 H new ATOM 0 HD3 ARG A 55 -13.167 -6.398 3.237 1.00 70.32 H new ATOM 0 HE ARG A 55 -13.251 -3.615 3.307 1.00 23.51 H new ATOM 0 HH11 ARG A 55 -14.092 -6.202 1.058 1.00 44.00 H new ATOM 0 HH12 ARG A 55 -15.317 -5.246 0.218 1.00 44.00 H new ATOM 0 HH21 ARG A 55 -14.821 -2.368 2.204 1.00 24.22 H new ATOM 0 HH22 ARG A 55 -15.729 -3.080 0.866 1.00 24.22 H new ATOM 876 N ARG A 56 -7.750 -8.171 3.796 1.00 2.32 N ATOM 877 CA ARG A 56 -7.105 -9.474 3.656 1.00 60.05 C ATOM 878 C ARG A 56 -5.887 -9.606 4.571 1.00 12.31 C ATOM 879 O ARG A 56 -5.138 -10.579 4.476 1.00 14.23 O ATOM 880 CB ARG A 56 -6.690 -9.714 2.202 1.00 74.53 C ATOM 881 CG ARG A 56 -7.858 -9.875 1.238 1.00 10.44 C ATOM 882 CD ARG A 56 -7.364 -10.173 -0.168 1.00 34.12 C ATOM 883 NE ARG A 56 -8.456 -10.365 -1.122 1.00 21.42 N ATOM 884 CZ ARG A 56 -8.272 -10.630 -2.417 1.00 73.40 C ATOM 885 NH1 ARG A 56 -7.047 -10.785 -2.902 1.00 4.14 N ATOM 886 NH2 ARG A 56 -9.319 -10.767 -3.222 1.00 44.43 N ATOM 0 H ARG A 56 -7.444 -7.475 3.116 1.00 2.32 H new ATOM 0 HA ARG A 56 -7.833 -10.229 3.953 1.00 60.05 H new ATOM 0 HB2 ARG A 56 -6.072 -8.880 1.870 1.00 74.53 H new ATOM 0 HB3 ARG A 56 -6.069 -10.609 2.156 1.00 74.53 H new ATOM 0 HG2 ARG A 56 -8.507 -10.682 1.578 1.00 10.44 H new ATOM 0 HG3 ARG A 56 -8.458 -8.965 1.232 1.00 10.44 H new ATOM 0 HD2 ARG A 56 -6.731 -9.353 -0.507 1.00 34.12 H new ATOM 0 HD3 ARG A 56 -6.743 -11.069 -0.148 1.00 34.12 H new ATOM 0 HE ARG A 56 -9.413 -10.292 -0.778 1.00 21.42 H new ATOM 0 HH11 ARG A 56 -6.240 -10.702 -2.284 1.00 4.14 H new ATOM 0 HH12 ARG A 56 -6.913 -10.987 -3.893 1.00 4.14 H new ATOM 0 HH21 ARG A 56 -10.264 -10.670 -2.851 1.00 44.43 H new ATOM 0 HH22 ARG A 56 -9.178 -10.970 -4.212 1.00 44.43 H new ATOM 900 N LYS A 57 -5.706 -8.628 5.464 1.00 72.52 N ATOM 901 CA LYS A 57 -4.596 -8.618 6.423 1.00 32.45 C ATOM 902 C LYS A 57 -3.245 -8.598 5.714 1.00 15.51 C ATOM 903 O LYS A 57 -2.223 -8.972 6.289 1.00 70.40 O ATOM 904 CB LYS A 57 -4.667 -9.823 7.374 1.00 30.32 C ATOM 905 CG LYS A 57 -5.899 -9.849 8.270 1.00 73.43 C ATOM 906 CD LYS A 57 -7.129 -10.350 7.532 1.00 1.23 C ATOM 907 CE LYS A 57 -8.359 -10.364 8.421 1.00 74.15 C ATOM 908 NZ LYS A 57 -9.572 -10.764 7.665 1.00 15.44 N ATOM 0 H LYS A 57 -6.325 -7.821 5.543 1.00 72.52 H new ATOM 0 HA LYS A 57 -4.693 -7.704 7.010 1.00 32.45 H new ATOM 0 HB2 LYS A 57 -4.644 -10.738 6.783 1.00 30.32 H new ATOM 0 HB3 LYS A 57 -3.776 -9.827 8.002 1.00 30.32 H new ATOM 0 HG2 LYS A 57 -5.707 -10.489 9.131 1.00 73.43 H new ATOM 0 HG3 LYS A 57 -6.090 -8.847 8.654 1.00 73.43 H new ATOM 0 HD2 LYS A 57 -7.315 -9.716 6.665 1.00 1.23 H new ATOM 0 HD3 LYS A 57 -6.942 -11.356 7.156 1.00 1.23 H new ATOM 0 HE2 LYS A 57 -8.202 -11.054 9.250 1.00 74.15 H new ATOM 0 HE3 LYS A 57 -8.508 -9.375 8.853 1.00 74.15 H new ATOM 0 HZ1 LYS A 57 -10.416 -10.601 8.251 1.00 15.44 H new ATOM 0 HZ2 LYS A 57 -9.641 -10.199 6.795 1.00 15.44 H new ATOM 0 HZ3 LYS A 57 -9.511 -11.773 7.419 1.00 15.44 H new ATOM 922 N ILE A 58 -3.246 -8.126 4.480 1.00 75.54 N ATOM 923 CA ILE A 58 -2.032 -8.038 3.689 1.00 34.43 C ATOM 924 C ILE A 58 -1.241 -6.806 4.095 1.00 4.21 C ATOM 925 O ILE A 58 -0.039 -6.879 4.339 1.00 5.53 O ATOM 926 CB ILE A 58 -2.357 -7.986 2.180 1.00 2.53 C ATOM 927 CG1 ILE A 58 -3.100 -9.257 1.772 1.00 61.21 C ATOM 928 CG2 ILE A 58 -1.090 -7.811 1.352 1.00 24.40 C ATOM 929 CD1 ILE A 58 -3.672 -9.202 0.374 1.00 3.11 C ATOM 0 H ILE A 58 -4.083 -7.795 4.000 1.00 75.54 H new ATOM 0 HA ILE A 58 -1.434 -8.930 3.877 1.00 34.43 H new ATOM 0 HB ILE A 58 -2.995 -7.123 1.989 1.00 2.53 H new ATOM 0 HG12 ILE A 58 -2.419 -10.105 1.844 1.00 61.21 H new ATOM 0 HG13 ILE A 58 -3.909 -9.438 2.480 1.00 61.21 H new ATOM 0 HG21 ILE A 58 -1.349 -7.778 0.294 1.00 24.40 H new ATOM 0 HG22 ILE A 58 -0.596 -6.881 1.634 1.00 24.40 H new ATOM 0 HG23 ILE A 58 -0.417 -8.649 1.535 1.00 24.40 H new ATOM 0 HD11 ILE A 58 -4.185 -10.138 0.154 1.00 3.11 H new ATOM 0 HD12 ILE A 58 -4.379 -8.375 0.302 1.00 3.11 H new ATOM 0 HD13 ILE A 58 -2.865 -9.053 -0.344 1.00 3.11 H new ATOM 941 N VAL A 59 -1.931 -5.684 4.199 1.00 72.34 N ATOM 942 CA VAL A 59 -1.304 -4.444 4.615 1.00 44.10 C ATOM 943 C VAL A 59 -2.109 -3.802 5.732 1.00 30.43 C ATOM 944 O VAL A 59 -3.278 -4.135 5.937 1.00 54.31 O ATOM 945 CB VAL A 59 -1.179 -3.439 3.449 1.00 53.20 C ATOM 946 CG1 VAL A 59 -0.357 -4.023 2.311 1.00 71.32 C ATOM 947 CG2 VAL A 59 -2.550 -3.011 2.956 1.00 15.31 C ATOM 0 H VAL A 59 -2.928 -5.607 4.000 1.00 72.34 H new ATOM 0 HA VAL A 59 -0.302 -4.692 4.964 1.00 44.10 H new ATOM 0 HB VAL A 59 -0.659 -2.556 3.822 1.00 53.20 H new ATOM 0 HG11 VAL A 59 -0.285 -3.295 1.503 1.00 71.32 H new ATOM 0 HG12 VAL A 59 0.643 -4.265 2.671 1.00 71.32 H new ATOM 0 HG13 VAL A 59 -0.839 -4.928 1.941 1.00 71.32 H new ATOM 0 HG21 VAL A 59 -2.437 -2.303 2.135 1.00 15.31 H new ATOM 0 HG22 VAL A 59 -3.101 -3.885 2.608 1.00 15.31 H new ATOM 0 HG23 VAL A 59 -3.098 -2.537 3.770 1.00 15.31 H new ATOM 957 N THR A 60 -1.484 -2.898 6.456 1.00 25.11 N ATOM 958 CA THR A 60 -2.178 -2.144 7.473 1.00 20.45 C ATOM 959 C THR A 60 -1.666 -0.713 7.503 1.00 45.11 C ATOM 960 O THR A 60 -0.502 -0.447 7.194 1.00 4.30 O ATOM 961 CB THR A 60 -2.028 -2.786 8.871 1.00 24.32 C ATOM 962 OG1 THR A 60 -2.899 -2.135 9.803 1.00 31.24 O ATOM 963 CG2 THR A 60 -0.594 -2.698 9.371 1.00 3.33 C ATOM 0 H THR A 60 -0.495 -2.669 6.357 1.00 25.11 H new ATOM 0 HA THR A 60 -3.238 -2.148 7.218 1.00 20.45 H new ATOM 0 HB THR A 60 -2.297 -3.839 8.786 1.00 24.32 H new ATOM 0 HG1 THR A 60 -2.800 -2.548 10.686 1.00 31.24 H new ATOM 0 HG21 THR A 60 -0.523 -3.159 10.356 1.00 3.33 H new ATOM 0 HG22 THR A 60 0.066 -3.220 8.678 1.00 3.33 H new ATOM 0 HG23 THR A 60 -0.295 -1.652 9.437 1.00 3.33 H new ATOM 971 N TYR A 61 -2.552 0.203 7.843 1.00 13.13 N ATOM 972 CA TYR A 61 -2.204 1.600 7.990 1.00 71.35 C ATOM 973 C TYR A 61 -3.195 2.254 8.941 1.00 30.33 C ATOM 974 O TYR A 61 -4.394 1.973 8.873 1.00 35.14 O ATOM 975 CB TYR A 61 -2.200 2.322 6.632 1.00 14.03 C ATOM 976 CG TYR A 61 -3.553 2.389 5.945 1.00 43.13 C ATOM 977 CD1 TYR A 61 -4.032 1.321 5.196 1.00 21.13 C ATOM 978 CD2 TYR A 61 -4.349 3.528 6.047 1.00 75.43 C ATOM 979 CE1 TYR A 61 -5.265 1.383 4.573 1.00 74.24 C ATOM 980 CE2 TYR A 61 -5.581 3.596 5.425 1.00 24.42 C ATOM 981 CZ TYR A 61 -6.034 2.524 4.688 1.00 73.11 C ATOM 982 OH TYR A 61 -7.264 2.585 4.075 1.00 60.41 O ATOM 0 H TYR A 61 -3.534 -0.002 8.025 1.00 13.13 H new ATOM 0 HA TYR A 61 -1.196 1.675 8.397 1.00 71.35 H new ATOM 0 HB2 TYR A 61 -1.830 3.337 6.777 1.00 14.03 H new ATOM 0 HB3 TYR A 61 -1.496 1.818 5.970 1.00 14.03 H new ATOM 0 HD1 TYR A 61 -3.432 0.428 5.099 1.00 21.13 H new ATOM 0 HD2 TYR A 61 -3.997 4.372 6.622 1.00 75.43 H new ATOM 0 HE1 TYR A 61 -5.625 0.542 3.999 1.00 74.24 H new ATOM 0 HE2 TYR A 61 -6.186 4.486 5.516 1.00 24.42 H new ATOM 0 HH TYR A 61 -7.676 3.456 4.255 1.00 60.41 H new ATOM 992 N PRO A 62 -2.710 3.090 9.864 1.00 72.51 N ATOM 993 CA PRO A 62 -3.576 3.793 10.811 1.00 63.51 C ATOM 994 C PRO A 62 -4.574 4.698 10.096 1.00 73.00 C ATOM 995 O PRO A 62 -4.231 5.359 9.110 1.00 35.12 O ATOM 996 CB PRO A 62 -2.600 4.627 11.648 1.00 12.22 C ATOM 997 CG PRO A 62 -1.270 3.981 11.455 1.00 4.32 C ATOM 998 CD PRO A 62 -1.288 3.404 10.070 1.00 41.25 C ATOM 0 HA PRO A 62 -4.177 3.106 11.407 1.00 63.51 H new ATOM 0 HB2 PRO A 62 -2.585 5.666 11.317 1.00 12.22 H new ATOM 0 HB3 PRO A 62 -2.887 4.631 12.700 1.00 12.22 H new ATOM 0 HG2 PRO A 62 -0.464 4.707 11.565 1.00 4.32 H new ATOM 0 HG3 PRO A 62 -1.102 3.203 12.200 1.00 4.32 H new ATOM 0 HD2 PRO A 62 -0.920 4.116 9.331 1.00 41.25 H new ATOM 0 HD3 PRO A 62 -0.663 2.514 9.995 1.00 41.25 H new ATOM 1125 N HIS A 71 -1.570 12.564 6.938 1.00 2.22 N ATOM 1126 CA HIS A 71 -1.518 11.149 6.609 1.00 13.42 C ATOM 1127 C HIS A 71 -0.360 10.854 5.661 1.00 34.42 C ATOM 1128 O HIS A 71 -0.118 9.704 5.301 1.00 33.53 O ATOM 1129 CB HIS A 71 -2.848 10.716 5.986 1.00 12.51 C ATOM 1130 CG HIS A 71 -3.295 9.342 6.387 1.00 34.20 C ATOM 1131 ND1 HIS A 71 -4.352 9.116 7.240 1.00 54.40 N ATOM 1132 CD2 HIS A 71 -2.841 8.121 6.028 1.00 64.02 C ATOM 1133 CE1 HIS A 71 -4.529 7.820 7.389 1.00 24.13 C ATOM 1134 NE2 HIS A 71 -3.625 7.189 6.664 1.00 60.34 N ATOM 0 HA HIS A 71 -1.352 10.581 7.525 1.00 13.42 H new ATOM 0 HB2 HIS A 71 -3.619 11.433 6.267 1.00 12.51 H new ATOM 0 HB3 HIS A 71 -2.758 10.754 4.900 1.00 12.51 H new ATOM 0 HD1 HIS A 71 -4.912 9.841 7.688 1.00 54.40 H new ATOM 0 HD2 HIS A 71 -2.015 7.916 5.364 1.00 64.02 H new ATOM 0 HE1 HIS A 71 -5.286 7.352 8.001 1.00 24.13 H new ATOM 1143 N ASP A 72 0.362 11.901 5.278 1.00 70.54 N ATOM 1144 CA ASP A 72 1.481 11.775 4.349 1.00 5.31 C ATOM 1145 C ASP A 72 2.627 10.990 4.971 1.00 31.32 C ATOM 1146 O ASP A 72 3.291 10.197 4.300 1.00 13.42 O ATOM 1147 CB ASP A 72 1.994 13.155 3.933 1.00 72.51 C ATOM 1148 CG ASP A 72 1.020 13.918 3.063 1.00 53.34 C ATOM 1149 OD1 ASP A 72 0.066 14.511 3.610 1.00 10.53 O ATOM 1150 OD2 ASP A 72 1.231 13.957 1.833 1.00 71.31 O ATOM 0 H ASP A 72 0.191 12.854 5.599 1.00 70.54 H new ATOM 0 HA ASP A 72 1.116 11.239 3.473 1.00 5.31 H new ATOM 0 HB2 ASP A 72 2.207 13.740 4.827 1.00 72.51 H new ATOM 0 HB3 ASP A 72 2.936 13.038 3.396 1.00 72.51 H new ATOM 1155 N ASP A 73 2.852 11.213 6.258 1.00 53.34 N ATOM 1156 CA ASP A 73 3.958 10.580 6.964 1.00 53.40 C ATOM 1157 C ASP A 73 3.537 9.250 7.570 1.00 51.12 C ATOM 1158 O ASP A 73 4.294 8.639 8.318 1.00 33.42 O ATOM 1159 CB ASP A 73 4.483 11.504 8.068 1.00 12.53 C ATOM 1160 CG ASP A 73 3.399 11.927 9.040 1.00 33.34 C ATOM 1161 OD1 ASP A 73 2.657 12.881 8.722 1.00 54.14 O ATOM 1162 OD2 ASP A 73 3.286 11.319 10.127 1.00 2.05 O ATOM 0 H ASP A 73 2.282 11.830 6.837 1.00 53.34 H new ATOM 0 HA ASP A 73 4.750 10.394 6.239 1.00 53.40 H new ATOM 0 HB2 ASP A 73 5.277 10.996 8.614 1.00 12.53 H new ATOM 0 HB3 ASP A 73 4.925 12.391 7.614 1.00 12.53 H new ATOM 1167 N VAL A 74 2.338 8.797 7.242 1.00 14.43 N ATOM 1168 CA VAL A 74 1.830 7.547 7.776 1.00 1.10 C ATOM 1169 C VAL A 74 2.423 6.361 7.023 1.00 51.40 C ATOM 1170 O VAL A 74 2.390 6.310 5.789 1.00 45.41 O ATOM 1171 CB VAL A 74 0.289 7.497 7.721 1.00 10.24 C ATOM 1172 CG1 VAL A 74 -0.233 6.122 8.116 1.00 55.43 C ATOM 1173 CG2 VAL A 74 -0.303 8.564 8.629 1.00 55.55 C ATOM 0 H VAL A 74 1.699 9.277 6.608 1.00 14.43 H new ATOM 0 HA VAL A 74 2.133 7.487 8.821 1.00 1.10 H new ATOM 0 HB VAL A 74 -0.018 7.692 6.694 1.00 10.24 H new ATOM 0 HG11 VAL A 74 -1.322 6.118 8.067 1.00 55.43 H new ATOM 0 HG12 VAL A 74 0.163 5.372 7.431 1.00 55.43 H new ATOM 0 HG13 VAL A 74 0.086 5.890 9.132 1.00 55.43 H new ATOM 0 HG21 VAL A 74 -1.391 8.519 8.582 1.00 55.55 H new ATOM 0 HG22 VAL A 74 0.023 8.391 9.655 1.00 55.55 H new ATOM 0 HG23 VAL A 74 0.034 9.548 8.302 1.00 55.55 H new ATOM 1183 N ASP A 75 2.979 5.428 7.778 1.00 71.54 N ATOM 1184 CA ASP A 75 3.606 4.240 7.217 1.00 71.10 C ATOM 1185 C ASP A 75 2.584 3.135 6.998 1.00 72.44 C ATOM 1186 O ASP A 75 1.794 2.816 7.888 1.00 62.41 O ATOM 1187 CB ASP A 75 4.716 3.724 8.143 1.00 4.23 C ATOM 1188 CG ASP A 75 5.885 4.680 8.270 1.00 54.11 C ATOM 1189 OD1 ASP A 75 5.790 5.644 9.052 1.00 41.03 O ATOM 1190 OD2 ASP A 75 6.914 4.470 7.593 1.00 61.32 O ATOM 0 H ASP A 75 3.009 5.472 8.797 1.00 71.54 H new ATOM 0 HA ASP A 75 4.038 4.520 6.256 1.00 71.10 H new ATOM 0 HB2 ASP A 75 4.297 3.540 9.132 1.00 4.23 H new ATOM 0 HB3 ASP A 75 5.078 2.767 7.767 1.00 4.23 H new ATOM 1195 N ILE A 76 2.591 2.572 5.804 1.00 11.30 N ATOM 1196 CA ILE A 76 1.786 1.404 5.499 1.00 32.21 C ATOM 1197 C ILE A 76 2.637 0.156 5.700 1.00 42.43 C ATOM 1198 O ILE A 76 3.677 -0.011 5.059 1.00 42.41 O ATOM 1199 CB ILE A 76 1.223 1.439 4.051 1.00 12.32 C ATOM 1200 CG1 ILE A 76 0.151 2.529 3.890 1.00 22.33 C ATOM 1201 CG2 ILE A 76 0.646 0.084 3.662 1.00 40.23 C ATOM 1202 CD1 ILE A 76 0.682 3.947 3.919 1.00 31.11 C ATOM 0 H ILE A 76 3.152 2.909 5.022 1.00 11.30 H new ATOM 0 HA ILE A 76 0.929 1.394 6.172 1.00 32.21 H new ATOM 0 HB ILE A 76 2.054 1.675 3.386 1.00 12.32 H new ATOM 0 HG12 ILE A 76 -0.371 2.370 2.946 1.00 22.33 H new ATOM 0 HG13 ILE A 76 -0.586 2.415 4.685 1.00 22.33 H new ATOM 0 HG21 ILE A 76 0.258 0.132 2.645 1.00 40.23 H new ATOM 0 HG22 ILE A 76 1.428 -0.674 3.716 1.00 40.23 H new ATOM 0 HG23 ILE A 76 -0.161 -0.178 4.346 1.00 40.23 H new ATOM 0 HD11 ILE A 76 -0.144 4.648 3.798 1.00 31.11 H new ATOM 0 HD12 ILE A 76 1.177 4.131 4.872 1.00 31.11 H new ATOM 0 HD13 ILE A 76 1.396 4.085 3.107 1.00 31.11 H new ATOM 1214 N ILE A 77 2.206 -0.701 6.609 1.00 42.11 N ATOM 1215 CA ILE A 77 2.982 -1.872 6.983 1.00 50.22 C ATOM 1216 C ILE A 77 2.451 -3.124 6.294 1.00 51.42 C ATOM 1217 O ILE A 77 1.256 -3.416 6.342 1.00 74.21 O ATOM 1218 CB ILE A 77 2.966 -2.084 8.514 1.00 15.42 C ATOM 1219 CG1 ILE A 77 3.469 -0.825 9.229 1.00 62.32 C ATOM 1220 CG2 ILE A 77 3.816 -3.291 8.893 1.00 73.44 C ATOM 1221 CD1 ILE A 77 3.393 -0.908 10.738 1.00 70.21 C ATOM 0 H ILE A 77 1.319 -0.608 7.104 1.00 42.11 H new ATOM 0 HA ILE A 77 4.008 -1.696 6.660 1.00 50.22 H new ATOM 0 HB ILE A 77 1.940 -2.275 8.829 1.00 15.42 H new ATOM 0 HG12 ILE A 77 4.503 -0.641 8.936 1.00 62.32 H new ATOM 0 HG13 ILE A 77 2.885 0.031 8.892 1.00 62.32 H new ATOM 0 HG21 ILE A 77 3.794 -3.426 9.974 1.00 73.44 H new ATOM 0 HG22 ILE A 77 3.419 -4.183 8.408 1.00 73.44 H new ATOM 0 HG23 ILE A 77 4.844 -3.129 8.568 1.00 73.44 H new ATOM 0 HD11 ILE A 77 3.766 0.019 11.173 1.00 70.21 H new ATOM 0 HD12 ILE A 77 2.358 -1.061 11.042 1.00 70.21 H new ATOM 0 HD13 ILE A 77 4.001 -1.743 11.088 1.00 70.21 H new ATOM 1233 N LEU A 78 3.347 -3.851 5.644 1.00 74.21 N ATOM 1234 CA LEU A 78 3.000 -5.104 4.997 1.00 14.44 C ATOM 1235 C LEU A 78 2.986 -6.233 6.027 1.00 51.15 C ATOM 1236 O LEU A 78 4.032 -6.616 6.557 1.00 64.41 O ATOM 1237 CB LEU A 78 4.007 -5.409 3.882 1.00 41.31 C ATOM 1238 CG LEU A 78 3.714 -6.651 3.035 1.00 62.31 C ATOM 1239 CD1 LEU A 78 2.462 -6.448 2.198 1.00 20.13 C ATOM 1240 CD2 LEU A 78 4.902 -6.976 2.139 1.00 31.40 C ATOM 0 H LEU A 78 4.329 -3.590 5.551 1.00 74.21 H new ATOM 0 HA LEU A 78 2.006 -5.020 4.557 1.00 14.44 H new ATOM 0 HB2 LEU A 78 4.058 -4.545 3.219 1.00 41.31 H new ATOM 0 HB3 LEU A 78 4.993 -5.524 4.332 1.00 41.31 H new ATOM 0 HG LEU A 78 3.545 -7.491 3.708 1.00 62.31 H new ATOM 0 HD11 LEU A 78 2.272 -7.342 1.604 1.00 20.13 H new ATOM 0 HD12 LEU A 78 1.612 -6.261 2.854 1.00 20.13 H new ATOM 0 HD13 LEU A 78 2.602 -5.595 1.534 1.00 20.13 H new ATOM 0 HD21 LEU A 78 4.677 -7.861 1.544 1.00 31.40 H new ATOM 0 HD22 LEU A 78 5.099 -6.133 1.476 1.00 31.40 H new ATOM 0 HD23 LEU A 78 5.781 -7.166 2.755 1.00 31.40 H new ATOM 1252 N LEU A 79 1.802 -6.749 6.318 1.00 35.43 N ATOM 1253 CA LEU A 79 1.648 -7.807 7.308 1.00 74.13 C ATOM 1254 C LEU A 79 1.757 -9.172 6.647 1.00 53.14 C ATOM 1255 O LEU A 79 2.407 -10.085 7.165 1.00 15.13 O ATOM 1256 CB LEU A 79 0.290 -7.693 8.005 1.00 55.45 C ATOM 1257 CG LEU A 79 0.026 -6.374 8.730 1.00 51.44 C ATOM 1258 CD1 LEU A 79 -1.366 -6.381 9.341 1.00 53.03 C ATOM 1259 CD2 LEU A 79 1.077 -6.131 9.803 1.00 14.15 C ATOM 0 H LEU A 79 0.929 -6.452 5.881 1.00 35.43 H new ATOM 0 HA LEU A 79 2.443 -7.698 8.046 1.00 74.13 H new ATOM 0 HB2 LEU A 79 -0.493 -7.841 7.261 1.00 55.45 H new ATOM 0 HB3 LEU A 79 0.203 -8.506 8.725 1.00 55.45 H new ATOM 0 HG LEU A 79 0.086 -5.562 8.005 1.00 51.44 H new ATOM 0 HD11 LEU A 79 -1.543 -5.436 9.855 1.00 53.03 H new ATOM 0 HD12 LEU A 79 -2.108 -6.510 8.553 1.00 53.03 H new ATOM 0 HD13 LEU A 79 -1.447 -7.202 10.053 1.00 53.03 H new ATOM 0 HD21 LEU A 79 0.871 -5.187 10.307 1.00 14.15 H new ATOM 0 HD22 LEU A 79 1.050 -6.944 10.529 1.00 14.15 H new ATOM 0 HD23 LEU A 79 2.064 -6.088 9.342 1.00 14.15 H new ATOM 1271 N GLN A 80 1.130 -9.298 5.489 1.00 72.30 N ATOM 1272 CA GLN A 80 1.094 -10.558 4.770 1.00 3.03 C ATOM 1273 C GLN A 80 1.599 -10.361 3.352 1.00 64.33 C ATOM 1274 O GLN A 80 1.201 -9.422 2.670 1.00 2.44 O ATOM 1275 CB GLN A 80 -0.330 -11.112 4.744 1.00 51.14 C ATOM 1276 CG GLN A 80 -0.432 -12.504 4.146 1.00 14.13 C ATOM 1277 CD GLN A 80 -1.851 -13.030 4.143 1.00 55.22 C ATOM 1278 OE1 GLN A 80 -2.297 -13.641 5.113 1.00 44.14 O ATOM 1279 NE2 GLN A 80 -2.567 -12.806 3.053 1.00 52.15 N ATOM 0 H GLN A 80 0.636 -8.536 5.025 1.00 72.30 H new ATOM 0 HA GLN A 80 1.739 -11.272 5.282 1.00 3.03 H new ATOM 0 HB2 GLN A 80 -0.721 -11.134 5.761 1.00 51.14 H new ATOM 0 HB3 GLN A 80 -0.964 -10.434 4.173 1.00 51.14 H new ATOM 0 HG2 GLN A 80 -0.052 -12.486 3.124 1.00 14.13 H new ATOM 0 HG3 GLN A 80 0.204 -13.186 4.710 1.00 14.13 H new ATOM 0 HE21 GLN A 80 -2.159 -12.295 2.271 1.00 52.15 H new ATOM 0 HE22 GLN A 80 -3.527 -13.145 2.995 1.00 52.15 H new ATOM 1288 N ASP A 81 2.469 -11.246 2.912 1.00 24.45 N ATOM 1289 CA ASP A 81 3.015 -11.166 1.570 1.00 1.42 C ATOM 1290 C ASP A 81 2.454 -12.301 0.726 1.00 61.21 C ATOM 1291 O ASP A 81 2.698 -13.477 1.004 1.00 22.12 O ATOM 1292 CB ASP A 81 4.540 -11.235 1.609 1.00 12.42 C ATOM 1293 CG ASP A 81 5.172 -10.919 0.270 1.00 61.41 C ATOM 1294 OD1 ASP A 81 5.110 -11.767 -0.643 1.00 3.44 O ATOM 1295 OD2 ASP A 81 5.753 -9.825 0.136 1.00 51.34 O ATOM 0 H ASP A 81 2.815 -12.031 3.464 1.00 24.45 H new ATOM 0 HA ASP A 81 2.729 -10.213 1.124 1.00 1.42 H new ATOM 0 HB2 ASP A 81 4.913 -10.535 2.357 1.00 12.42 H new ATOM 0 HB3 ASP A 81 4.847 -12.232 1.925 1.00 12.42 H new