USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 804 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 38 GLN : amide:sc=0.000549 K(o=-1.9,f=-0.78) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.89! K(o=-1.9!,f=-0.78) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -3.02! C(o=-3!,f=-5.2!) USER MOD Single : A 13 LYS NZ :NH3+ -147:sc= -0.0394 (180deg=-0.293) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -109:sc= -3.27! (180deg=-6.46!) USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= -0.0117 (180deg=-0.167) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= -1.01 (180deg=-2.04!) USER MOD Single : A 26 THR OG1 : rot 77:sc= 0.925 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 32 CYS SG : rot -107:sc= -4.5! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.757 K(o=0.76,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0909 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -4.17! K(o=-4.2!,f=-0.46) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 0.644 (180deg=0.414) USER MOD Single : A 55 ASN : amide:sc= 0.549 K(o=0.55,f=-7.7!) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= -2.67! C(o=-2.7!,f=-4.9!) USER MOD Single : B 13 LYS NZ :NH3+ -169:sc= -0.0748 (180deg=-0.32) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl -104:sc= -3.15! (180deg=-6.33!) USER MOD Single : B 22 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.122) USER MOD Single : B 25 LYS NZ :NH3+ -154:sc= -0.984 (180deg=-2.16!) USER MOD Single : B 26 THR OG1 : rot 77:sc= 0.833 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 TYR OH : rot 180:sc= -0.476 USER MOD Single : B 32 CYS SG : rot -108:sc= -4.39! USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 ASN : amide:sc= 0.742 K(o=0.74,f=0) USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 THR OG1 : rot 180:sc= -0.057 USER MOD Single : B 41 GLN : amide:sc= -1.98! K(o=-2!,f=-0.96) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= -4.07! K(o=-4.1!,f=-0.41) USER MOD Single : B 53 LYS NZ :NH3+ 170:sc= 0.705 (180deg=0.621) USER MOD Single : B 55 ASN : amide:sc= 0.59 K(o=0.59,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 -9.781 12.817 4.046 1.00 0.00 N ATOM 2 CA LYS A 11 -10.861 13.299 4.936 1.00 0.00 C ATOM 3 C LYS A 11 -10.983 12.412 6.165 1.00 0.00 C ATOM 4 O LYS A 11 -10.323 12.644 7.179 1.00 0.00 O ATOM 5 CB LYS A 11 -12.201 13.341 4.203 1.00 0.00 C ATOM 6 CG LYS A 11 -12.323 14.453 3.179 1.00 0.00 C ATOM 7 CD LYS A 11 -13.731 14.511 2.615 1.00 0.00 C ATOM 8 CE LYS A 11 -13.919 15.704 1.699 1.00 0.00 C ATOM 9 NZ LYS A 11 -15.318 15.809 1.210 1.00 0.00 N ATOM 0 HA LYS A 11 -10.600 14.310 5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.357 12.385 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.999 13.451 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.071 15.408 3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.609 14.291 2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.941 13.593 2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.449 14.564 3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.650 16.617 2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.242 15.620 0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.407 16.637 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.566 14.949 0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.962 15.915 2.020 1.00 0.00 H new ATOM 23 N GLN A 12 -11.827 11.391 6.072 1.00 0.00 N ATOM 24 CA GLN A 12 -11.992 10.448 7.159 1.00 0.00 C ATOM 25 C GLN A 12 -10.777 9.539 7.237 1.00 0.00 C ATOM 26 O GLN A 12 -10.421 8.868 6.267 1.00 0.00 O ATOM 27 CB GLN A 12 -13.277 9.634 6.992 1.00 0.00 C ATOM 28 CG GLN A 12 -13.422 8.975 5.631 1.00 0.00 C ATOM 29 CD GLN A 12 -14.670 8.121 5.529 1.00 0.00 C ATOM 30 OE1 GLN A 12 -15.139 7.565 6.521 1.00 0.00 O ATOM 31 NE2 GLN A 12 -15.219 8.015 4.331 1.00 0.00 N ATOM 0 H GLN A 12 -12.405 11.200 5.254 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.077 11.002 8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.309 8.863 7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.133 10.288 7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.448 9.744 4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.546 8.357 5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.799 8.492 3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.063 7.456 4.204 1.00 0.00 H new ATOM 40 N LYS A 13 -10.148 9.526 8.394 1.00 0.00 N ATOM 41 CA LYS A 13 -8.875 8.840 8.554 1.00 0.00 C ATOM 42 C LYS A 13 -9.047 7.568 9.366 1.00 0.00 C ATOM 43 O LYS A 13 -9.875 7.500 10.279 1.00 0.00 O ATOM 44 CB LYS A 13 -7.835 9.758 9.216 1.00 0.00 C ATOM 45 CG LYS A 13 -8.221 10.194 10.618 1.00 0.00 C ATOM 46 CD LYS A 13 -7.191 11.133 11.224 1.00 0.00 C ATOM 47 CE LYS A 13 -7.543 11.489 12.664 1.00 0.00 C ATOM 48 NZ LYS A 13 -8.948 11.961 12.797 1.00 0.00 N ATOM 0 H LYS A 13 -10.494 9.981 9.239 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.513 8.572 7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.877 9.240 9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.694 10.642 8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.191 10.689 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.330 9.316 11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.207 10.665 11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.130 12.043 10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.393 10.616 13.300 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.865 12.264 13.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.005 12.675 13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.259 12.382 11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.563 11.157 13.034 1.00 0.00 H new ATOM 62 N ALA A 14 -8.268 6.567 9.012 1.00 0.00 N ATOM 63 CA ALA A 14 -8.254 5.306 9.718 1.00 0.00 C ATOM 64 C ALA A 14 -6.825 4.877 9.956 1.00 0.00 C ATOM 65 O ALA A 14 -5.903 5.365 9.302 1.00 0.00 O ATOM 66 CB ALA A 14 -8.988 4.244 8.932 1.00 0.00 C ATOM 0 H ALA A 14 -7.624 6.607 8.222 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.760 5.434 10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.965 3.303 9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.023 4.552 8.783 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.506 4.110 7.964 1.00 0.00 H new ATOM 72 N VAL A 15 -6.637 3.963 10.881 1.00 0.00 N ATOM 73 CA VAL A 15 -5.303 3.507 11.215 1.00 0.00 C ATOM 74 C VAL A 15 -5.059 2.160 10.569 1.00 0.00 C ATOM 75 O VAL A 15 -5.999 1.449 10.211 1.00 0.00 O ATOM 76 CB VAL A 15 -5.095 3.369 12.735 1.00 0.00 C ATOM 77 CG1 VAL A 15 -3.616 3.437 13.095 1.00 0.00 C ATOM 78 CG2 VAL A 15 -5.889 4.421 13.490 1.00 0.00 C ATOM 0 H VAL A 15 -7.386 3.521 11.414 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.601 4.254 10.845 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.466 2.389 13.035 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.499 3.337 14.174 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.082 2.628 12.596 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.207 4.395 12.773 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.725 4.302 14.561 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.563 5.414 13.181 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.950 4.303 13.270 1.00 0.00 H new ATOM 88 N PHE A 16 -3.804 1.804 10.436 1.00 0.00 N ATOM 89 CA PHE A 16 -3.446 0.538 9.846 1.00 0.00 C ATOM 90 C PHE A 16 -2.182 0.022 10.504 1.00 0.00 C ATOM 91 O PHE A 16 -1.169 0.721 10.527 1.00 0.00 O ATOM 92 CB PHE A 16 -3.246 0.686 8.340 1.00 0.00 C ATOM 93 CG PHE A 16 -3.512 -0.577 7.582 1.00 0.00 C ATOM 94 CD1 PHE A 16 -4.669 -1.302 7.815 1.00 0.00 C ATOM 95 CD2 PHE A 16 -2.621 -1.031 6.628 1.00 0.00 C ATOM 96 CE1 PHE A 16 -4.934 -2.456 7.105 1.00 0.00 C ATOM 97 CE2 PHE A 16 -2.880 -2.185 5.919 1.00 0.00 C ATOM 98 CZ PHE A 16 -4.036 -2.898 6.157 1.00 0.00 C ATOM 0 H PHE A 16 -3.012 2.376 10.730 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.253 -0.177 10.007 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.905 1.471 7.968 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.223 1.010 8.146 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.372 -0.961 8.561 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.714 -0.477 6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.842 -3.011 7.292 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.176 -2.531 5.176 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.238 -3.802 5.601 1.00 0.00 H new ATOM 108 N GLY A 17 -2.259 -1.177 11.058 1.00 0.00 N ATOM 109 CA GLY A 17 -1.125 -1.749 11.755 1.00 0.00 C ATOM 110 C GLY A 17 -0.858 -3.165 11.309 1.00 0.00 C ATOM 111 O GLY A 17 -1.411 -4.114 11.867 1.00 0.00 O ATOM 0 H GLY A 17 -3.090 -1.768 11.038 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.241 -1.137 11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.311 -1.734 12.829 1.00 0.00 H new ATOM 115 N ILE A 18 -0.015 -3.314 10.301 1.00 0.00 N ATOM 116 CA ILE A 18 0.233 -4.616 9.705 1.00 0.00 C ATOM 117 C ILE A 18 1.707 -4.980 9.761 1.00 0.00 C ATOM 118 O ILE A 18 2.563 -4.119 9.975 1.00 0.00 O ATOM 119 CB ILE A 18 -0.230 -4.660 8.240 1.00 0.00 C ATOM 120 CG1 ILE A 18 0.515 -3.616 7.404 1.00 0.00 C ATOM 121 CG2 ILE A 18 -1.728 -4.433 8.171 1.00 0.00 C ATOM 122 CD1 ILE A 18 0.267 -3.741 5.920 1.00 0.00 C ATOM 0 H ILE A 18 0.510 -2.549 9.878 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.340 -5.338 10.287 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.002 -5.643 7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.216 -2.620 7.731 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.584 -3.706 7.594 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.053 -4.465 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.240 -5.212 8.735 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.968 -3.459 8.597 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.827 -2.969 5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.592 -4.724 5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.797 -3.620 5.718 1.00 0.00 H new ATOM 134 N TYR A 19 1.993 -6.259 9.574 1.00 0.00 N ATOM 135 CA TYR A 19 3.365 -6.729 9.497 1.00 0.00 C ATOM 136 C TYR A 19 3.700 -7.122 8.066 1.00 0.00 C ATOM 137 O TYR A 19 3.424 -8.245 7.640 1.00 0.00 O ATOM 138 CB TYR A 19 3.598 -7.931 10.413 1.00 0.00 C ATOM 139 CG TYR A 19 3.313 -7.675 11.870 1.00 0.00 C ATOM 140 CD1 TYR A 19 4.084 -6.788 12.606 1.00 0.00 C ATOM 141 CD2 TYR A 19 2.281 -8.338 12.515 1.00 0.00 C ATOM 142 CE1 TYR A 19 3.829 -6.567 13.945 1.00 0.00 C ATOM 143 CE2 TYR A 19 2.018 -8.120 13.852 1.00 0.00 C ATOM 144 CZ TYR A 19 2.796 -7.234 14.563 1.00 0.00 C ATOM 145 OH TYR A 19 2.538 -7.012 15.897 1.00 0.00 O ATOM 0 H TYR A 19 1.290 -6.991 9.473 1.00 0.00 H new ATOM 0 HA TYR A 19 4.012 -5.914 9.823 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.972 -8.756 10.074 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.634 -8.254 10.310 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.896 -6.262 12.125 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.672 -9.037 11.962 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.438 -5.873 14.505 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.207 -8.641 14.338 1.00 0.00 H new ATOM 0 HH TYR A 19 1.776 -7.560 16.178 1.00 0.00 H new ATOM 155 N MET A 20 4.278 -6.194 7.330 1.00 0.00 N ATOM 156 CA MET A 20 4.690 -6.470 5.947 1.00 0.00 C ATOM 157 C MET A 20 6.189 -6.786 5.903 1.00 0.00 C ATOM 158 O MET A 20 6.849 -6.758 6.937 1.00 0.00 O ATOM 159 CB MET A 20 4.373 -5.294 5.004 1.00 0.00 C ATOM 160 CG MET A 20 5.384 -4.160 5.059 1.00 0.00 C ATOM 161 SD MET A 20 5.686 -3.434 3.436 1.00 0.00 S ATOM 162 CE MET A 20 4.362 -2.258 3.241 1.00 0.00 C ATOM 0 H MET A 20 4.477 -5.247 7.653 1.00 0.00 H new ATOM 0 HA MET A 20 4.121 -7.332 5.599 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.318 -5.668 3.981 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.388 -4.899 5.252 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.024 -3.388 5.739 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.323 -4.533 5.468 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.660 -2.621 2.490 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.844 -2.133 4.192 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.771 -1.299 2.922 1.00 0.00 H new ATOM 172 N ASP A 21 6.731 -7.086 4.723 1.00 0.00 N ATOM 173 CA ASP A 21 8.166 -7.332 4.598 1.00 0.00 C ATOM 174 C ASP A 21 8.951 -6.033 4.700 1.00 0.00 C ATOM 175 O ASP A 21 8.426 -4.948 4.444 1.00 0.00 O ATOM 176 CB ASP A 21 8.525 -8.033 3.283 1.00 0.00 C ATOM 177 CG ASP A 21 8.494 -9.551 3.390 1.00 0.00 C ATOM 178 OD1 ASP A 21 7.396 -10.139 3.344 1.00 0.00 O ATOM 179 OD2 ASP A 21 9.582 -10.165 3.504 1.00 0.00 O ATOM 0 H ASP A 21 6.206 -7.164 3.852 1.00 0.00 H new ATOM 0 HA ASP A 21 8.437 -7.992 5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.829 -7.715 2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.520 -7.717 2.969 1.00 0.00 H new ATOM 184 N LYS A 22 10.219 -6.144 5.046 1.00 0.00 N ATOM 185 CA LYS A 22 11.052 -4.979 5.230 1.00 0.00 C ATOM 186 C LYS A 22 11.508 -4.438 3.899 1.00 0.00 C ATOM 187 O LYS A 22 11.221 -3.300 3.572 1.00 0.00 O ATOM 188 CB LYS A 22 12.267 -5.328 6.085 1.00 0.00 C ATOM 189 CG LYS A 22 13.301 -4.214 6.164 1.00 0.00 C ATOM 190 CD LYS A 22 14.400 -4.542 7.161 1.00 0.00 C ATOM 191 CE LYS A 22 15.541 -3.537 7.094 1.00 0.00 C ATOM 192 NZ LYS A 22 16.310 -3.649 5.827 1.00 0.00 N ATOM 0 H LYS A 22 10.693 -7.033 5.205 1.00 0.00 H new ATOM 0 HA LYS A 22 10.463 -4.215 5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.932 -5.573 7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.740 -6.223 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.739 -4.052 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.813 -3.283 6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.985 -4.554 8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.784 -5.542 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.140 -2.528 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.211 -3.693 7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.205 -3.126 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.512 -4.650 5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.752 -3.249 5.046 1.00 0.00 H new ATOM 206 N ASP A 23 12.204 -5.274 3.142 1.00 0.00 N ATOM 207 CA ASP A 23 12.804 -4.873 1.865 1.00 0.00 C ATOM 208 C ASP A 23 11.816 -4.113 0.987 1.00 0.00 C ATOM 209 O ASP A 23 12.173 -3.135 0.340 1.00 0.00 O ATOM 210 CB ASP A 23 13.318 -6.103 1.114 1.00 0.00 C ATOM 211 CG ASP A 23 13.848 -5.766 -0.269 1.00 0.00 C ATOM 212 OD1 ASP A 23 15.000 -5.290 -0.369 1.00 0.00 O ATOM 213 OD2 ASP A 23 13.117 -5.979 -1.262 1.00 0.00 O ATOM 0 H ASP A 23 12.372 -6.249 3.390 1.00 0.00 H new ATOM 0 HA ASP A 23 13.636 -4.206 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.109 -6.575 1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.512 -6.831 1.022 1.00 0.00 H new ATOM 218 N LEU A 24 10.572 -4.553 1.002 1.00 0.00 N ATOM 219 CA LEU A 24 9.523 -3.937 0.221 1.00 0.00 C ATOM 220 C LEU A 24 9.089 -2.596 0.813 1.00 0.00 C ATOM 221 O LEU A 24 9.150 -1.571 0.135 1.00 0.00 O ATOM 222 CB LEU A 24 8.351 -4.885 0.175 1.00 0.00 C ATOM 223 CG LEU A 24 7.019 -4.230 -0.110 1.00 0.00 C ATOM 224 CD1 LEU A 24 6.719 -4.220 -1.595 1.00 0.00 C ATOM 225 CD2 LEU A 24 5.967 -4.941 0.692 1.00 0.00 C ATOM 0 H LEU A 24 10.263 -5.350 1.558 1.00 0.00 H new ATOM 0 HA LEU A 24 9.898 -3.738 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.541 -5.639 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.287 -5.408 1.129 1.00 0.00 H new ATOM 0 HG LEU A 24 7.039 -3.182 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.755 -3.743 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.497 -3.666 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.689 -5.244 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.995 -4.485 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.938 -5.992 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.204 -4.863 1.753 1.00 0.00 H new ATOM 237 N LYS A 25 8.624 -2.613 2.068 1.00 0.00 N ATOM 238 CA LYS A 25 8.256 -1.379 2.767 1.00 0.00 C ATOM 239 C LYS A 25 9.403 -0.383 2.689 1.00 0.00 C ATOM 240 O LYS A 25 9.210 0.820 2.539 1.00 0.00 O ATOM 241 CB LYS A 25 7.999 -1.671 4.242 1.00 0.00 C ATOM 242 CG LYS A 25 7.141 -0.631 4.933 1.00 0.00 C ATOM 243 CD LYS A 25 7.050 -0.890 6.428 1.00 0.00 C ATOM 244 CE LYS A 25 8.209 -0.254 7.188 1.00 0.00 C ATOM 245 NZ LYS A 25 9.516 -0.918 6.932 1.00 0.00 N ATOM 0 H LYS A 25 8.495 -3.463 2.616 1.00 0.00 H new ATOM 0 HA LYS A 25 7.360 -0.973 2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.516 -2.644 4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.955 -1.742 4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.558 0.361 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.141 -0.636 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.107 -0.496 6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.043 -1.965 6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.283 0.797 6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.996 -0.287 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.140 -0.784 7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.364 -1.935 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.958 -0.500 6.089 1.00 0.00 H new ATOM 259 N THR A 26 10.600 -0.930 2.796 1.00 0.00 N ATOM 260 CA THR A 26 11.823 -0.148 2.843 1.00 0.00 C ATOM 261 C THR A 26 12.189 0.373 1.458 1.00 0.00 C ATOM 262 O THR A 26 12.744 1.461 1.314 1.00 0.00 O ATOM 263 CB THR A 26 12.979 -0.977 3.444 1.00 0.00 C ATOM 264 OG1 THR A 26 12.635 -1.350 4.782 1.00 0.00 O ATOM 265 CG2 THR A 26 14.287 -0.197 3.455 1.00 0.00 C ATOM 0 H THR A 26 10.753 -1.937 2.853 1.00 0.00 H new ATOM 0 HA THR A 26 11.651 0.712 3.490 1.00 0.00 H new ATOM 0 HB THR A 26 13.125 -1.861 2.824 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.994 -2.091 4.760 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.075 -0.815 3.885 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.556 0.076 2.435 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.167 0.706 4.053 1.00 0.00 H new ATOM 273 N ARG A 27 11.850 -0.403 0.444 1.00 0.00 N ATOM 274 CA ARG A 27 11.978 0.032 -0.937 1.00 0.00 C ATOM 275 C ARG A 27 11.162 1.303 -1.142 1.00 0.00 C ATOM 276 O ARG A 27 11.672 2.321 -1.613 1.00 0.00 O ATOM 277 CB ARG A 27 11.487 -1.078 -1.877 1.00 0.00 C ATOM 278 CG ARG A 27 11.202 -0.618 -3.293 1.00 0.00 C ATOM 279 CD ARG A 27 12.469 -0.190 -4.028 1.00 0.00 C ATOM 280 NE ARG A 27 13.412 -1.301 -4.203 1.00 0.00 N ATOM 281 CZ ARG A 27 14.584 -1.202 -4.831 1.00 0.00 C ATOM 282 NH1 ARG A 27 14.941 -0.068 -5.420 1.00 0.00 N ATOM 283 NH2 ARG A 27 15.389 -2.258 -4.892 1.00 0.00 N ATOM 0 H ARG A 27 11.480 -1.347 0.552 1.00 0.00 H new ATOM 0 HA ARG A 27 13.024 0.241 -1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.237 -1.869 -1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.580 -1.515 -1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.719 -1.425 -3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.500 0.215 -3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.201 0.214 -5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.955 0.613 -3.473 1.00 0.00 H new ATOM 0 HE ARG A 27 13.153 -2.210 -3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.317 0.738 -5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.840 -0.002 -5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.109 -3.138 -4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.287 -2.188 -5.371 1.00 0.00 H new ATOM 297 N LEU A 28 9.892 1.224 -0.778 1.00 0.00 N ATOM 298 CA LEU A 28 9.002 2.367 -0.804 1.00 0.00 C ATOM 299 C LEU A 28 9.509 3.491 0.113 1.00 0.00 C ATOM 300 O LEU A 28 9.367 4.667 -0.210 1.00 0.00 O ATOM 301 CB LEU A 28 7.602 1.894 -0.406 1.00 0.00 C ATOM 302 CG LEU A 28 6.464 2.883 -0.609 1.00 0.00 C ATOM 303 CD1 LEU A 28 6.403 3.855 0.545 1.00 0.00 C ATOM 304 CD2 LEU A 28 6.639 3.606 -1.928 1.00 0.00 C ATOM 0 H LEU A 28 9.451 0.362 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 28 8.968 2.788 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.374 0.991 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.624 1.612 0.647 1.00 0.00 H new ATOM 0 HG LEU A 28 5.518 2.342 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.584 4.557 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.238 3.308 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.343 4.403 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.821 4.313 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.587 4.144 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.636 2.882 -2.743 1.00 0.00 H new ATOM 316 N LYS A 29 10.099 3.126 1.247 1.00 0.00 N ATOM 317 CA LYS A 29 10.693 4.106 2.161 1.00 0.00 C ATOM 318 C LYS A 29 11.728 4.957 1.435 1.00 0.00 C ATOM 319 O LYS A 29 11.752 6.180 1.568 1.00 0.00 O ATOM 320 CB LYS A 29 11.318 3.383 3.365 1.00 0.00 C ATOM 321 CG LYS A 29 12.116 4.268 4.314 1.00 0.00 C ATOM 322 CD LYS A 29 13.568 4.402 3.870 1.00 0.00 C ATOM 323 CE LYS A 29 14.364 5.274 4.821 1.00 0.00 C ATOM 324 NZ LYS A 29 15.793 5.371 4.425 1.00 0.00 N ATOM 0 H LYS A 29 10.181 2.158 1.559 1.00 0.00 H new ATOM 0 HA LYS A 29 9.911 4.773 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.522 2.898 3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.972 2.594 2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.658 5.256 4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.080 3.849 5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.024 3.414 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.605 4.828 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.927 6.272 4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.294 4.867 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.300 5.976 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.218 4.422 4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.862 5.783 3.473 1.00 0.00 H new ATOM 338 N VAL A 30 12.569 4.301 0.658 1.00 0.00 N ATOM 339 CA VAL A 30 13.596 4.985 -0.109 1.00 0.00 C ATOM 340 C VAL A 30 12.971 5.853 -1.186 1.00 0.00 C ATOM 341 O VAL A 30 13.461 6.936 -1.503 1.00 0.00 O ATOM 342 CB VAL A 30 14.566 3.969 -0.724 1.00 0.00 C ATOM 343 CG1 VAL A 30 15.623 4.654 -1.575 1.00 0.00 C ATOM 344 CG2 VAL A 30 15.197 3.150 0.387 1.00 0.00 C ATOM 0 H VAL A 30 12.561 3.288 0.540 1.00 0.00 H new ATOM 0 HA VAL A 30 14.157 5.633 0.564 1.00 0.00 H new ATOM 0 HB VAL A 30 14.012 3.305 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.294 3.904 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.140 5.203 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.195 5.347 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.888 2.425 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.739 3.811 1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.418 2.625 0.939 1.00 0.00 H new ATOM 354 N TYR A 31 11.865 5.376 -1.715 1.00 0.00 N ATOM 355 CA TYR A 31 11.088 6.129 -2.675 1.00 0.00 C ATOM 356 C TYR A 31 10.558 7.403 -2.022 1.00 0.00 C ATOM 357 O TYR A 31 10.543 8.476 -2.636 1.00 0.00 O ATOM 358 CB TYR A 31 9.933 5.273 -3.191 1.00 0.00 C ATOM 359 CG TYR A 31 9.031 6.014 -4.140 1.00 0.00 C ATOM 360 CD1 TYR A 31 9.421 6.249 -5.447 1.00 0.00 C ATOM 361 CD2 TYR A 31 7.805 6.505 -3.718 1.00 0.00 C ATOM 362 CE1 TYR A 31 8.614 6.954 -6.310 1.00 0.00 C ATOM 363 CE2 TYR A 31 6.987 7.207 -4.576 1.00 0.00 C ATOM 364 CZ TYR A 31 7.396 7.434 -5.875 1.00 0.00 C ATOM 365 OH TYR A 31 6.592 8.150 -6.738 1.00 0.00 O ATOM 0 H TYR A 31 11.480 4.458 -1.492 1.00 0.00 H new ATOM 0 HA TYR A 31 11.721 6.405 -3.518 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.336 4.394 -3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.346 4.916 -2.345 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.372 5.874 -5.794 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.486 6.334 -2.700 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.934 7.131 -7.326 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.032 7.577 -4.235 1.00 0.00 H new ATOM 0 HH TYR A 31 5.769 8.414 -6.275 1.00 0.00 H new ATOM 375 N CYS A 32 10.152 7.275 -0.765 1.00 0.00 N ATOM 376 CA CYS A 32 9.639 8.407 -0.007 1.00 0.00 C ATOM 377 C CYS A 32 10.752 9.400 0.298 1.00 0.00 C ATOM 378 O CYS A 32 10.545 10.598 0.276 1.00 0.00 O ATOM 379 CB CYS A 32 8.984 7.937 1.292 1.00 0.00 C ATOM 380 SG CYS A 32 7.557 6.864 1.038 1.00 0.00 S ATOM 0 H CYS A 32 10.169 6.396 -0.249 1.00 0.00 H new ATOM 0 HA CYS A 32 8.885 8.905 -0.616 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.724 7.406 1.890 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.674 8.809 1.868 1.00 0.00 H new ATOM 0 HG CYS A 32 6.468 7.516 1.319 1.00 0.00 H new ATOM 386 N ALA A 33 11.934 8.890 0.560 1.00 0.00 N ATOM 387 CA ALA A 33 13.072 9.732 0.883 1.00 0.00 C ATOM 388 C ALA A 33 13.543 10.493 -0.352 1.00 0.00 C ATOM 389 O ALA A 33 13.914 11.665 -0.279 1.00 0.00 O ATOM 390 CB ALA A 33 14.187 8.874 1.450 1.00 0.00 C ATOM 0 H ALA A 33 12.137 7.890 0.557 1.00 0.00 H new ATOM 0 HA ALA A 33 12.776 10.467 1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.043 9.504 1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.837 8.372 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.483 8.128 0.712 1.00 0.00 H new ATOM 396 N LYS A 34 13.494 9.817 -1.488 1.00 0.00 N ATOM 397 CA LYS A 34 13.957 10.370 -2.747 1.00 0.00 C ATOM 398 C LYS A 34 13.014 11.446 -3.269 1.00 0.00 C ATOM 399 O LYS A 34 13.457 12.456 -3.819 1.00 0.00 O ATOM 400 CB LYS A 34 14.099 9.234 -3.763 1.00 0.00 C ATOM 401 CG LYS A 34 14.602 9.660 -5.127 1.00 0.00 C ATOM 402 CD LYS A 34 14.656 8.474 -6.076 1.00 0.00 C ATOM 403 CE LYS A 34 15.066 8.882 -7.483 1.00 0.00 C ATOM 404 NZ LYS A 34 15.111 7.712 -8.401 1.00 0.00 N ATOM 0 H LYS A 34 13.131 8.867 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 34 14.924 10.847 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.780 8.486 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.130 8.750 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.948 10.430 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.594 10.101 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.362 7.736 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.679 7.993 -6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.363 9.620 -7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.045 9.360 -7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.394 8.027 -9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.800 7.019 -8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.170 7.271 -8.448 1.00 0.00 H new ATOM 418 N ASN A 35 11.723 11.237 -3.090 1.00 0.00 N ATOM 419 CA ASN A 35 10.735 12.206 -3.545 1.00 0.00 C ATOM 420 C ASN A 35 10.332 13.123 -2.416 1.00 0.00 C ATOM 421 O ASN A 35 9.512 14.021 -2.601 1.00 0.00 O ATOM 422 CB ASN A 35 9.492 11.502 -4.085 1.00 0.00 C ATOM 423 CG ASN A 35 9.749 10.786 -5.390 1.00 0.00 C ATOM 424 OD1 ASN A 35 9.550 11.348 -6.467 1.00 0.00 O ATOM 425 ND2 ASN A 35 10.195 9.544 -5.305 1.00 0.00 N ATOM 0 H ASN A 35 11.333 10.411 -2.636 1.00 0.00 H new ATOM 0 HA ASN A 35 11.190 12.792 -4.344 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.136 10.785 -3.346 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.697 12.234 -4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.388 9.012 -6.154 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.346 9.118 -4.391 1.00 0.00 H new ATOM 432 N ASN A 36 10.906 12.877 -1.240 1.00 0.00 N ATOM 433 CA ASN A 36 10.525 13.603 -0.028 1.00 0.00 C ATOM 434 C ASN A 36 9.047 13.371 0.297 1.00 0.00 C ATOM 435 O ASN A 36 8.406 14.184 0.962 1.00 0.00 O ATOM 436 CB ASN A 36 10.808 15.103 -0.159 1.00 0.00 C ATOM 437 CG ASN A 36 12.287 15.433 -0.135 1.00 0.00 C ATOM 438 OD1 ASN A 36 12.931 15.372 0.910 1.00 0.00 O ATOM 439 ND2 ASN A 36 12.827 15.847 -1.269 1.00 0.00 N ATOM 0 H ASN A 36 11.637 12.180 -1.100 1.00 0.00 H new ATOM 0 HA ASN A 36 11.132 13.216 0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.375 15.468 -1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.310 15.633 0.653 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.807 16.128 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.263 15.885 -2.118 1.00 0.00 H new ATOM 446 N LEU A 37 8.519 12.249 -0.189 1.00 0.00 N ATOM 447 CA LEU A 37 7.140 11.858 0.063 1.00 0.00 C ATOM 448 C LEU A 37 6.975 11.321 1.473 1.00 0.00 C ATOM 449 O LEU A 37 7.948 10.970 2.141 1.00 0.00 O ATOM 450 CB LEU A 37 6.701 10.787 -0.937 1.00 0.00 C ATOM 451 CG LEU A 37 5.728 11.256 -2.021 1.00 0.00 C ATOM 452 CD1 LEU A 37 6.305 12.425 -2.800 1.00 0.00 C ATOM 453 CD2 LEU A 37 5.381 10.106 -2.955 1.00 0.00 C ATOM 0 H LEU A 37 9.038 11.588 -0.768 1.00 0.00 H new ATOM 0 HA LEU A 37 6.517 12.745 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.589 10.381 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.237 9.969 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 37 4.813 11.596 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.594 12.739 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.498 13.255 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.238 12.121 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.688 10.455 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.290 9.736 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.916 9.302 -2.385 1.00 0.00 H new ATOM 465 N GLN A 38 5.733 11.256 1.914 1.00 0.00 N ATOM 466 CA GLN A 38 5.414 10.691 3.208 1.00 0.00 C ATOM 467 C GLN A 38 5.118 9.213 3.052 1.00 0.00 C ATOM 468 O GLN A 38 4.402 8.835 2.125 1.00 0.00 O ATOM 469 CB GLN A 38 4.207 11.395 3.821 1.00 0.00 C ATOM 470 CG GLN A 38 4.422 12.878 4.022 1.00 0.00 C ATOM 471 CD GLN A 38 3.197 13.575 4.575 1.00 0.00 C ATOM 472 OE1 GLN A 38 3.030 13.686 5.787 1.00 0.00 O ATOM 473 NE2 GLN A 38 2.323 14.040 3.693 1.00 0.00 N ATOM 0 H GLN A 38 4.925 11.590 1.390 1.00 0.00 H new ATOM 0 HA GLN A 38 6.268 10.829 3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.341 11.244 3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.975 10.935 4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.260 13.031 4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.696 13.334 3.071 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.498 13.928 2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.476 14.510 4.013 1.00 0.00 H new ATOM 482 N LEU A 39 5.683 8.390 3.921 1.00 0.00 N ATOM 483 CA LEU A 39 5.446 6.943 3.887 1.00 0.00 C ATOM 484 C LEU A 39 3.963 6.628 3.707 1.00 0.00 C ATOM 485 O LEU A 39 3.578 5.879 2.808 1.00 0.00 O ATOM 486 CB LEU A 39 5.955 6.282 5.168 1.00 0.00 C ATOM 487 CG LEU A 39 7.050 5.227 4.979 1.00 0.00 C ATOM 488 CD1 LEU A 39 6.646 4.206 3.927 1.00 0.00 C ATOM 489 CD2 LEU A 39 8.374 5.882 4.615 1.00 0.00 C ATOM 0 H LEU A 39 6.312 8.694 4.664 1.00 0.00 H new ATOM 0 HA LEU A 39 5.994 6.543 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.335 7.060 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.110 5.816 5.675 1.00 0.00 H new ATOM 0 HG LEU A 39 7.179 4.702 5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.440 3.468 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.729 3.706 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.479 4.711 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.137 5.114 4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.260 6.440 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.675 6.562 5.412 1.00 0.00 H new ATOM 501 N THR A 40 3.136 7.231 4.549 1.00 0.00 N ATOM 502 CA THR A 40 1.699 7.017 4.501 1.00 0.00 C ATOM 503 C THR A 40 1.129 7.435 3.151 1.00 0.00 C ATOM 504 O THR A 40 0.376 6.687 2.526 1.00 0.00 O ATOM 505 CB THR A 40 0.995 7.808 5.618 1.00 0.00 C ATOM 506 OG1 THR A 40 1.667 7.589 6.866 1.00 0.00 O ATOM 507 CG2 THR A 40 -0.466 7.407 5.754 1.00 0.00 C ATOM 0 H THR A 40 3.440 7.877 5.278 1.00 0.00 H new ATOM 0 HA THR A 40 1.520 5.952 4.646 1.00 0.00 H new ATOM 0 HB THR A 40 1.034 8.864 5.352 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.216 8.096 7.573 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.930 7.987 6.552 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.986 7.601 4.816 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.531 6.345 5.992 1.00 0.00 H new ATOM 515 N GLN A 41 1.517 8.623 2.704 1.00 0.00 N ATOM 516 CA GLN A 41 1.070 9.161 1.428 1.00 0.00 C ATOM 517 C GLN A 41 1.416 8.196 0.297 1.00 0.00 C ATOM 518 O GLN A 41 0.632 8.001 -0.629 1.00 0.00 O ATOM 519 CB GLN A 41 1.744 10.512 1.189 1.00 0.00 C ATOM 520 CG GLN A 41 1.108 11.347 0.094 1.00 0.00 C ATOM 521 CD GLN A 41 1.892 12.616 -0.174 1.00 0.00 C ATOM 522 OE1 GLN A 41 1.685 13.638 0.478 1.00 0.00 O ATOM 523 NE2 GLN A 41 2.794 12.561 -1.142 1.00 0.00 N ATOM 0 H GLN A 41 2.149 9.239 3.216 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.012 9.292 1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.728 11.081 2.118 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.791 10.342 0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.045 10.759 -0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.088 11.604 0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.935 11.693 -1.659 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.348 13.386 -1.370 1.00 0.00 H new ATOM 532 N ALA A 42 2.591 7.585 0.395 1.00 0.00 N ATOM 533 CA ALA A 42 3.056 6.635 -0.607 1.00 0.00 C ATOM 534 C ALA A 42 2.245 5.352 -0.564 1.00 0.00 C ATOM 535 O ALA A 42 1.863 4.829 -1.605 1.00 0.00 O ATOM 536 CB ALA A 42 4.516 6.333 -0.392 1.00 0.00 C ATOM 0 H ALA A 42 3.243 7.733 1.165 1.00 0.00 H new ATOM 0 HA ALA A 42 2.923 7.086 -1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.855 5.622 -1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.094 7.253 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.657 5.905 0.600 1.00 0.00 H new ATOM 542 N ILE A 43 1.990 4.843 0.639 1.00 0.00 N ATOM 543 CA ILE A 43 1.144 3.665 0.797 1.00 0.00 C ATOM 544 C ILE A 43 -0.231 3.916 0.211 1.00 0.00 C ATOM 545 O ILE A 43 -0.761 3.082 -0.510 1.00 0.00 O ATOM 546 CB ILE A 43 0.996 3.246 2.279 1.00 0.00 C ATOM 547 CG1 ILE A 43 2.057 2.209 2.642 1.00 0.00 C ATOM 548 CG2 ILE A 43 -0.406 2.716 2.563 1.00 0.00 C ATOM 549 CD1 ILE A 43 3.467 2.752 2.616 1.00 0.00 C ATOM 0 H ILE A 43 2.354 5.225 1.512 1.00 0.00 H new ATOM 0 HA ILE A 43 1.634 2.852 0.261 1.00 0.00 H new ATOM 0 HB ILE A 43 1.146 4.128 2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.845 1.818 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.986 1.371 1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.481 2.429 3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.139 3.493 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.601 1.847 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.167 1.960 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.698 3.117 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.555 3.571 3.330 1.00 0.00 H new ATOM 561 N GLU A 44 -0.798 5.065 0.530 1.00 0.00 N ATOM 562 CA GLU A 44 -2.116 5.427 0.039 1.00 0.00 C ATOM 563 C GLU A 44 -2.122 5.498 -1.478 1.00 0.00 C ATOM 564 O GLU A 44 -3.034 4.995 -2.118 1.00 0.00 O ATOM 565 CB GLU A 44 -2.562 6.760 0.624 1.00 0.00 C ATOM 566 CG GLU A 44 -2.746 6.738 2.127 1.00 0.00 C ATOM 567 CD GLU A 44 -3.300 8.039 2.651 1.00 0.00 C ATOM 568 OE1 GLU A 44 -2.512 8.980 2.879 1.00 0.00 O ATOM 569 OE2 GLU A 44 -4.531 8.133 2.827 1.00 0.00 O ATOM 0 H GLU A 44 -0.364 5.767 1.130 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.817 4.655 0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.826 7.522 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.502 7.055 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.418 5.924 2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.788 6.533 2.606 1.00 0.00 H new ATOM 576 N GLU A 45 -1.099 6.120 -2.045 1.00 0.00 N ATOM 577 CA GLU A 45 -0.930 6.149 -3.492 1.00 0.00 C ATOM 578 C GLU A 45 -0.773 4.733 -4.023 1.00 0.00 C ATOM 579 O GLU A 45 -1.341 4.376 -5.057 1.00 0.00 O ATOM 580 CB GLU A 45 0.300 6.979 -3.869 1.00 0.00 C ATOM 581 CG GLU A 45 0.146 8.472 -3.641 1.00 0.00 C ATOM 582 CD GLU A 45 -0.539 9.171 -4.794 1.00 0.00 C ATOM 583 OE1 GLU A 45 -1.783 9.280 -4.784 1.00 0.00 O ATOM 584 OE2 GLU A 45 0.172 9.621 -5.717 1.00 0.00 O ATOM 0 H GLU A 45 -0.372 6.612 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.814 6.606 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.154 6.622 -3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.531 6.807 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.426 8.639 -2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.130 8.915 -3.486 1.00 0.00 H new ATOM 591 N ALA A 46 -0.014 3.929 -3.288 1.00 0.00 N ATOM 592 CA ALA A 46 0.251 2.555 -3.669 1.00 0.00 C ATOM 593 C ALA A 46 -1.033 1.750 -3.691 1.00 0.00 C ATOM 594 O ALA A 46 -1.378 1.140 -4.696 1.00 0.00 O ATOM 595 CB ALA A 46 1.255 1.921 -2.710 1.00 0.00 C ATOM 0 H ALA A 46 0.431 4.213 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 46 0.677 2.554 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.443 0.890 -3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.189 2.483 -2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.851 1.937 -1.698 1.00 0.00 H new ATOM 601 N ILE A 47 -1.750 1.781 -2.577 1.00 0.00 N ATOM 602 CA ILE A 47 -2.965 1.025 -2.423 1.00 0.00 C ATOM 603 C ILE A 47 -4.077 1.586 -3.308 1.00 0.00 C ATOM 604 O ILE A 47 -4.967 0.854 -3.742 1.00 0.00 O ATOM 605 CB ILE A 47 -3.394 0.999 -0.935 1.00 0.00 C ATOM 606 CG1 ILE A 47 -4.546 0.033 -0.714 1.00 0.00 C ATOM 607 CG2 ILE A 47 -3.770 2.390 -0.445 1.00 0.00 C ATOM 608 CD1 ILE A 47 -4.811 -0.241 0.748 1.00 0.00 C ATOM 0 H ILE A 47 -1.498 2.335 -1.758 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.777 0.000 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.538 0.652 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.448 0.440 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.328 -0.907 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.067 2.339 0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.913 3.056 -0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.600 2.773 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.644 -0.937 0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.921 -0.676 1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.059 0.692 1.254 1.00 0.00 H new ATOM 620 N LYS A 48 -3.999 2.878 -3.608 1.00 0.00 N ATOM 621 CA LYS A 48 -4.987 3.524 -4.457 1.00 0.00 C ATOM 622 C LYS A 48 -4.838 3.057 -5.895 1.00 0.00 C ATOM 623 O LYS A 48 -5.782 2.534 -6.492 1.00 0.00 O ATOM 624 CB LYS A 48 -4.822 5.045 -4.395 1.00 0.00 C ATOM 625 CG LYS A 48 -5.733 5.834 -5.336 1.00 0.00 C ATOM 626 CD LYS A 48 -7.153 6.006 -4.797 1.00 0.00 C ATOM 627 CE LYS A 48 -7.955 4.714 -4.822 1.00 0.00 C ATOM 628 NZ LYS A 48 -9.398 4.955 -4.558 1.00 0.00 N ATOM 0 H LYS A 48 -3.260 3.497 -3.274 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.979 3.253 -4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.009 5.374 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.786 5.292 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.297 6.817 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.776 5.326 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.105 6.379 -3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.672 6.761 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.839 4.233 -5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.559 4.026 -4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.911 4.051 -4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.511 5.391 -3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.782 5.592 -5.285 1.00 0.00 H new ATOM 642 N GLU A 49 -3.642 3.234 -6.437 1.00 0.00 N ATOM 643 CA GLU A 49 -3.379 2.873 -7.822 1.00 0.00 C ATOM 644 C GLU A 49 -3.317 1.367 -7.984 1.00 0.00 C ATOM 645 O GLU A 49 -3.296 0.851 -9.098 1.00 0.00 O ATOM 646 CB GLU A 49 -2.076 3.523 -8.320 1.00 0.00 C ATOM 647 CG GLU A 49 -2.230 4.977 -8.792 1.00 0.00 C ATOM 648 CD GLU A 49 -0.919 5.718 -8.841 1.00 0.00 C ATOM 649 OE1 GLU A 49 -0.030 5.293 -9.607 1.00 0.00 O ATOM 650 OE2 GLU A 49 -0.781 6.741 -8.132 1.00 0.00 O ATOM 0 H GLU A 49 -2.841 3.624 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.202 3.249 -8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.339 3.491 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.679 2.927 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.684 4.986 -9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.913 5.501 -8.123 1.00 0.00 H new ATOM 657 N TYR A 50 -3.317 0.664 -6.871 1.00 0.00 N ATOM 658 CA TYR A 50 -3.342 -0.770 -6.887 1.00 0.00 C ATOM 659 C TYR A 50 -4.739 -1.257 -7.219 1.00 0.00 C ATOM 660 O TYR A 50 -4.913 -2.142 -8.050 1.00 0.00 O ATOM 661 CB TYR A 50 -2.887 -1.291 -5.538 1.00 0.00 C ATOM 662 CG TYR A 50 -3.052 -2.767 -5.352 1.00 0.00 C ATOM 663 CD1 TYR A 50 -2.245 -3.663 -6.029 1.00 0.00 C ATOM 664 CD2 TYR A 50 -3.998 -3.256 -4.467 1.00 0.00 C ATOM 665 CE1 TYR A 50 -2.384 -5.019 -5.840 1.00 0.00 C ATOM 666 CE2 TYR A 50 -4.144 -4.615 -4.265 1.00 0.00 C ATOM 667 CZ TYR A 50 -3.333 -5.493 -4.955 1.00 0.00 C ATOM 668 OH TYR A 50 -3.474 -6.848 -4.762 1.00 0.00 O ATOM 0 H TYR A 50 -3.300 1.075 -5.938 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.664 -1.146 -7.653 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.836 -1.036 -5.400 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.445 -0.775 -4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.496 -3.294 -6.714 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.630 -2.566 -3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.754 -5.709 -6.381 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.886 -4.987 -3.574 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.184 -7.013 -4.107 1.00 0.00 H new ATOM 678 N LEU A 51 -5.735 -0.657 -6.579 1.00 0.00 N ATOM 679 CA LEU A 51 -7.122 -0.969 -6.882 1.00 0.00 C ATOM 680 C LEU A 51 -7.451 -0.655 -8.332 1.00 0.00 C ATOM 681 O LEU A 51 -8.173 -1.404 -8.979 1.00 0.00 O ATOM 682 CB LEU A 51 -8.089 -0.219 -5.961 1.00 0.00 C ATOM 683 CG LEU A 51 -8.494 -0.946 -4.674 1.00 0.00 C ATOM 684 CD1 LEU A 51 -8.215 -2.441 -4.770 1.00 0.00 C ATOM 685 CD2 LEU A 51 -7.806 -0.327 -3.467 1.00 0.00 C ATOM 0 H LEU A 51 -5.607 0.045 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.247 -2.038 -6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.634 0.733 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.993 0.009 -6.525 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.570 -0.827 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.513 -2.927 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.781 -2.864 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.150 -2.602 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.108 -0.858 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.725 -0.400 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.092 0.722 -3.383 1.00 0.00 H new ATOM 697 N GLN A 52 -6.907 0.437 -8.849 1.00 0.00 N ATOM 698 CA GLN A 52 -7.186 0.825 -10.232 1.00 0.00 C ATOM 699 C GLN A 52 -6.422 -0.046 -11.222 1.00 0.00 C ATOM 700 O GLN A 52 -6.933 -0.367 -12.296 1.00 0.00 O ATOM 701 CB GLN A 52 -6.870 2.302 -10.486 1.00 0.00 C ATOM 702 CG GLN A 52 -8.029 3.242 -10.181 1.00 0.00 C ATOM 703 CD GLN A 52 -8.277 3.425 -8.701 1.00 0.00 C ATOM 704 OE1 GLN A 52 -9.030 2.676 -8.080 1.00 0.00 O ATOM 705 NE2 GLN A 52 -7.645 4.431 -8.125 1.00 0.00 N ATOM 0 H GLN A 52 -6.280 1.064 -8.345 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.254 0.673 -10.386 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.012 2.590 -9.878 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.578 2.427 -11.529 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.828 4.214 -10.631 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.934 2.855 -10.649 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.029 5.029 -8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.773 4.610 -7.129 1.00 0.00 H new ATOM 714 N LYS A 53 -5.205 -0.430 -10.863 1.00 0.00 N ATOM 715 CA LYS A 53 -4.412 -1.323 -11.697 1.00 0.00 C ATOM 716 C LYS A 53 -4.995 -2.728 -11.664 1.00 0.00 C ATOM 717 O LYS A 53 -4.743 -3.550 -12.549 1.00 0.00 O ATOM 718 CB LYS A 53 -2.968 -1.358 -11.216 1.00 0.00 C ATOM 719 CG LYS A 53 -2.065 -2.170 -12.119 1.00 0.00 C ATOM 720 CD LYS A 53 -0.743 -2.483 -11.449 1.00 0.00 C ATOM 721 CE LYS A 53 0.114 -3.369 -12.332 1.00 0.00 C ATOM 722 NZ LYS A 53 1.119 -4.129 -11.547 1.00 0.00 N ATOM 0 H LYS A 53 -4.745 -0.138 -10.001 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.436 -0.948 -12.720 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.587 -0.339 -11.152 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.936 -1.774 -10.209 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.564 -3.100 -12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.884 -1.621 -13.043 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.212 -1.556 -11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.922 -2.978 -10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.524 -4.066 -12.875 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.623 -2.756 -13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.507 -4.898 -12.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.888 -3.492 -11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.667 -4.531 -10.701 1.00 0.00 H new ATOM 736 N ARG A 54 -5.786 -2.991 -10.644 1.00 0.00 N ATOM 737 CA ARG A 54 -6.322 -4.310 -10.424 1.00 0.00 C ATOM 738 C ARG A 54 -7.751 -4.385 -10.939 1.00 0.00 C ATOM 739 O ARG A 54 -8.015 -4.993 -11.979 1.00 0.00 O ATOM 740 CB ARG A 54 -6.281 -4.636 -8.935 1.00 0.00 C ATOM 741 CG ARG A 54 -6.000 -6.095 -8.631 1.00 0.00 C ATOM 742 CD ARG A 54 -4.509 -6.389 -8.688 1.00 0.00 C ATOM 743 NE ARG A 54 -4.167 -7.679 -8.094 1.00 0.00 N ATOM 744 CZ ARG A 54 -2.925 -8.033 -7.771 1.00 0.00 C ATOM 745 NH1 ARG A 54 -1.913 -7.238 -8.076 1.00 0.00 N ATOM 746 NH2 ARG A 54 -2.699 -9.192 -7.165 1.00 0.00 N ATOM 0 H ARG A 54 -6.071 -2.299 -9.951 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.718 -5.038 -10.966 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.515 -4.022 -8.460 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.235 -4.359 -8.486 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.385 -6.344 -7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.526 -6.727 -9.347 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.179 -6.373 -9.727 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.967 -5.599 -8.169 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.920 -8.344 -7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.085 -6.356 -8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.961 -7.507 -7.829 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.478 -9.813 -6.946 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.747 -9.461 -6.918 1.00 0.00 H new ATOM 760 N ASN A 55 -8.663 -3.738 -10.216 1.00 0.00 N ATOM 761 CA ASN A 55 -10.074 -3.711 -10.590 1.00 0.00 C ATOM 762 C ASN A 55 -10.874 -2.779 -9.678 1.00 0.00 C ATOM 763 O ASN A 55 -11.441 -1.787 -10.139 1.00 0.00 O ATOM 764 CB ASN A 55 -10.691 -5.124 -10.598 1.00 0.00 C ATOM 765 CG ASN A 55 -10.285 -6.000 -9.420 1.00 0.00 C ATOM 766 OD1 ASN A 55 -10.008 -5.525 -8.321 1.00 0.00 O ATOM 767 ND2 ASN A 55 -10.251 -7.302 -9.647 1.00 0.00 N ATOM 0 H ASN A 55 -8.447 -3.223 -9.363 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.126 -3.320 -11.606 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.777 -5.032 -10.608 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.405 -5.626 -11.522 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.989 -7.944 -8.898 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.487 -7.665 -10.571 1.00 0.00 H new ATOM 774 N GLY A 56 -10.899 -3.085 -8.387 1.00 0.00 N ATOM 775 CA GLY A 56 -11.641 -2.280 -7.443 1.00 0.00 C ATOM 776 C GLY A 56 -13.136 -2.457 -7.590 1.00 0.00 C ATOM 777 O GLY A 56 -13.877 -1.484 -7.346 1.00 0.00 O ATOM 778 OXT GLY A 56 -13.575 -3.574 -7.939 1.00 0.00 O ATOM 0 H GLY A 56 -10.414 -3.883 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.344 -2.546 -6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.386 -1.230 -7.585 1.00 0.00 H new TER 782 GLY A 56 ATOM 783 N LYS B 11 9.833 -12.729 4.183 1.00 0.00 N ATOM 784 CA LYS B 11 10.926 -13.200 5.066 1.00 0.00 C ATOM 785 C LYS B 11 11.069 -12.291 6.276 1.00 0.00 C ATOM 786 O LYS B 11 10.425 -12.502 7.304 1.00 0.00 O ATOM 787 CB LYS B 11 12.260 -13.266 4.320 1.00 0.00 C ATOM 788 CG LYS B 11 12.365 -14.405 3.324 1.00 0.00 C ATOM 789 CD LYS B 11 13.764 -14.485 2.739 1.00 0.00 C ATOM 790 CE LYS B 11 13.933 -15.701 1.847 1.00 0.00 C ATOM 791 NZ LYS B 11 15.324 -15.819 1.340 1.00 0.00 N ATOM 0 HA LYS B 11 10.663 -14.205 5.397 1.00 0.00 H new ATOM 0 HB2 LYS B 11 12.415 -12.324 3.794 1.00 0.00 H new ATOM 0 HB3 LYS B 11 13.065 -13.361 5.048 1.00 0.00 H new ATOM 0 HG2 LYS B 11 12.117 -15.346 3.814 1.00 0.00 H new ATOM 0 HG3 LYS B 11 11.639 -14.262 2.523 1.00 0.00 H new ATOM 0 HD2 LYS B 11 13.970 -13.582 2.165 1.00 0.00 H new ATOM 0 HD3 LYS B 11 14.494 -14.523 3.547 1.00 0.00 H new ATOM 0 HE2 LYS B 11 13.671 -16.601 2.404 1.00 0.00 H new ATOM 0 HE3 LYS B 11 13.243 -15.634 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 15.402 -16.661 0.734 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 15.565 -14.971 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 15.980 -15.908 2.142 1.00 0.00 H new ATOM 805 N GLN B 12 11.916 -11.275 6.147 1.00 0.00 N ATOM 806 CA GLN B 12 12.103 -10.307 7.212 1.00 0.00 C ATOM 807 C GLN B 12 10.894 -9.391 7.289 1.00 0.00 C ATOM 808 O GLN B 12 10.533 -8.730 6.312 1.00 0.00 O ATOM 809 CB GLN B 12 13.387 -9.500 7.006 1.00 0.00 C ATOM 810 CG GLN B 12 13.516 -8.872 5.628 1.00 0.00 C ATOM 811 CD GLN B 12 14.763 -8.024 5.496 1.00 0.00 C ATOM 812 OE1 GLN B 12 15.244 -7.457 6.474 1.00 0.00 O ATOM 813 NE2 GLN B 12 15.300 -7.941 4.292 1.00 0.00 N ATOM 0 H GLN B 12 12.481 -11.104 5.315 1.00 0.00 H new ATOM 0 HA GLN B 12 12.202 -10.842 8.156 1.00 0.00 H new ATOM 0 HB2 GLN B 12 13.431 -8.712 7.757 1.00 0.00 H new ATOM 0 HB3 GLN B 12 14.244 -10.152 7.177 1.00 0.00 H new ATOM 0 HG2 GLN B 12 13.533 -9.658 4.873 1.00 0.00 H new ATOM 0 HG3 GLN B 12 12.639 -8.257 5.428 1.00 0.00 H new ATOM 0 HE21 GLN B 12 14.868 -8.428 3.506 1.00 0.00 H new ATOM 0 HE22 GLN B 12 16.146 -7.390 4.148 1.00 0.00 H new ATOM 822 N LYS B 13 10.286 -9.347 8.456 1.00 0.00 N ATOM 823 CA LYS B 13 9.016 -8.662 8.616 1.00 0.00 C ATOM 824 C LYS B 13 9.197 -7.369 9.393 1.00 0.00 C ATOM 825 O LYS B 13 10.038 -7.275 10.289 1.00 0.00 O ATOM 826 CB LYS B 13 7.990 -9.563 9.319 1.00 0.00 C ATOM 827 CG LYS B 13 8.397 -9.967 10.726 1.00 0.00 C ATOM 828 CD LYS B 13 7.371 -10.887 11.365 1.00 0.00 C ATOM 829 CE LYS B 13 7.734 -11.210 12.807 1.00 0.00 C ATOM 830 NZ LYS B 13 9.135 -11.695 12.940 1.00 0.00 N ATOM 0 H LYS B 13 10.648 -9.776 9.308 1.00 0.00 H new ATOM 0 HA LYS B 13 8.639 -8.422 7.622 1.00 0.00 H new ATOM 0 HB2 LYS B 13 7.032 -9.044 9.362 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.839 -10.462 8.721 1.00 0.00 H new ATOM 0 HG2 LYS B 13 9.365 -10.467 10.695 1.00 0.00 H new ATOM 0 HG3 LYS B 13 8.518 -9.075 11.340 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.388 -10.416 11.333 1.00 0.00 H new ATOM 0 HD3 LYS B 13 7.301 -11.811 10.791 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.600 -10.320 13.422 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.051 -11.968 13.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 9.281 -12.077 13.896 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 9.312 -12.442 12.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 9.792 -10.906 12.778 1.00 0.00 H new ATOM 844 N ALA B 14 8.414 -6.376 9.026 1.00 0.00 N ATOM 845 CA ALA B 14 8.415 -5.099 9.703 1.00 0.00 C ATOM 846 C ALA B 14 6.991 -4.660 9.957 1.00 0.00 C ATOM 847 O ALA B 14 6.058 -5.155 9.331 1.00 0.00 O ATOM 848 CB ALA B 14 9.140 -4.055 8.883 1.00 0.00 C ATOM 0 H ALA B 14 7.758 -6.433 8.247 1.00 0.00 H new ATOM 0 HA ALA B 14 8.938 -5.209 10.653 1.00 0.00 H new ATOM 0 HB1 ALA B 14 9.127 -3.103 9.413 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.172 -4.369 8.725 1.00 0.00 H new ATOM 0 HB3 ALA B 14 8.644 -3.940 7.919 1.00 0.00 H new ATOM 854 N VAL B 15 6.825 -3.727 10.864 1.00 0.00 N ATOM 855 CA VAL B 15 5.499 -3.256 11.207 1.00 0.00 C ATOM 856 C VAL B 15 5.248 -1.923 10.535 1.00 0.00 C ATOM 857 O VAL B 15 6.189 -1.223 10.147 1.00 0.00 O ATOM 858 CB VAL B 15 5.312 -3.082 12.726 1.00 0.00 C ATOM 859 CG1 VAL B 15 3.838 -3.136 13.111 1.00 0.00 C ATOM 860 CG2 VAL B 15 6.119 -4.116 13.493 1.00 0.00 C ATOM 0 H VAL B 15 7.585 -3.279 11.377 1.00 0.00 H new ATOM 0 HA VAL B 15 4.791 -4.010 10.863 1.00 0.00 H new ATOM 0 HB VAL B 15 5.686 -2.095 12.998 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.739 -3.010 14.189 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.299 -2.337 12.601 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.421 -4.099 12.818 1.00 0.00 H new ATOM 0 HG21 VAL B 15 5.971 -3.973 14.563 1.00 0.00 H new ATOM 0 HG22 VAL B 15 5.790 -5.116 13.212 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.177 -4.002 13.255 1.00 0.00 H new ATOM 870 N PHE B 16 3.993 -1.567 10.410 1.00 0.00 N ATOM 871 CA PHE B 16 3.624 -0.313 9.802 1.00 0.00 C ATOM 872 C PHE B 16 2.371 0.216 10.468 1.00 0.00 C ATOM 873 O PHE B 16 1.360 -0.477 10.523 1.00 0.00 O ATOM 874 CB PHE B 16 3.398 -0.498 8.304 1.00 0.00 C ATOM 875 CG PHE B 16 3.653 0.747 7.510 1.00 0.00 C ATOM 876 CD1 PHE B 16 4.814 1.475 7.708 1.00 0.00 C ATOM 877 CD2 PHE B 16 2.749 1.179 6.556 1.00 0.00 C ATOM 878 CE1 PHE B 16 5.069 2.611 6.970 1.00 0.00 C ATOM 879 CE2 PHE B 16 2.999 2.317 5.818 1.00 0.00 C ATOM 880 CZ PHE B 16 4.159 3.032 6.024 1.00 0.00 C ATOM 0 H PHE B 16 3.205 -2.133 10.724 1.00 0.00 H new ATOM 0 HA PHE B 16 4.431 0.407 9.937 1.00 0.00 H new ATOM 0 HB2 PHE B 16 4.049 -1.293 7.940 1.00 0.00 H new ATOM 0 HB3 PHE B 16 2.372 -0.825 8.136 1.00 0.00 H new ATOM 0 HD1 PHE B 16 5.528 1.149 8.449 1.00 0.00 H new ATOM 0 HD2 PHE B 16 1.840 0.621 6.388 1.00 0.00 H new ATOM 0 HE1 PHE B 16 5.979 3.170 7.132 1.00 0.00 H new ATOM 0 HE2 PHE B 16 2.285 2.648 5.078 1.00 0.00 H new ATOM 0 HZ PHE B 16 4.355 3.922 5.444 1.00 0.00 H new ATOM 890 N GLY B 17 2.457 1.424 10.997 1.00 0.00 N ATOM 891 CA GLY B 17 1.334 2.014 11.695 1.00 0.00 C ATOM 892 C GLY B 17 1.058 3.418 11.217 1.00 0.00 C ATOM 893 O GLY B 17 1.619 4.378 11.745 1.00 0.00 O ATOM 0 H GLY B 17 3.290 2.011 10.956 1.00 0.00 H new ATOM 0 HA2 GLY B 17 0.448 1.397 11.546 1.00 0.00 H new ATOM 0 HA3 GLY B 17 1.537 2.027 12.766 1.00 0.00 H new ATOM 897 N ILE B 18 0.199 3.545 10.219 1.00 0.00 N ATOM 898 CA ILE B 18 -0.052 4.836 9.596 1.00 0.00 C ATOM 899 C ILE B 18 -1.522 5.208 9.668 1.00 0.00 C ATOM 900 O ILE B 18 -2.375 4.356 9.914 1.00 0.00 O ATOM 901 CB ILE B 18 0.386 4.844 8.121 1.00 0.00 C ATOM 902 CG1 ILE B 18 -0.377 3.783 7.321 1.00 0.00 C ATOM 903 CG2 ILE B 18 1.882 4.612 8.033 1.00 0.00 C ATOM 904 CD1 ILE B 18 -0.150 3.869 5.831 1.00 0.00 C ATOM 0 H ILE B 18 -0.336 2.772 9.823 1.00 0.00 H new ATOM 0 HA ILE B 18 0.535 5.568 10.151 1.00 0.00 H new ATOM 0 HB ILE B 18 0.153 5.817 7.688 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -0.079 2.794 7.669 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -1.443 3.884 7.524 1.00 0.00 H new ATOM 0 HG21 ILE B 18 2.190 4.618 6.988 1.00 0.00 H new ATOM 0 HG22 ILE B 18 2.405 5.403 8.570 1.00 0.00 H new ATOM 0 HG23 ILE B 18 2.127 3.648 8.478 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.721 3.087 5.330 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -0.475 4.845 5.469 1.00 0.00 H new ATOM 0 HD13 ILE B 18 0.910 3.737 5.616 1.00 0.00 H new ATOM 916 N TYR B 19 -1.808 6.483 9.455 1.00 0.00 N ATOM 917 CA TYR B 19 -3.180 6.949 9.388 1.00 0.00 C ATOM 918 C TYR B 19 -3.536 7.307 7.952 1.00 0.00 C ATOM 919 O TYR B 19 -3.254 8.412 7.492 1.00 0.00 O ATOM 920 CB TYR B 19 -3.398 8.173 10.278 1.00 0.00 C ATOM 921 CG TYR B 19 -3.090 7.952 11.738 1.00 0.00 C ATOM 922 CD1 TYR B 19 -3.852 7.085 12.507 1.00 0.00 C ATOM 923 CD2 TYR B 19 -2.044 8.628 12.353 1.00 0.00 C ATOM 924 CE1 TYR B 19 -3.579 6.898 13.848 1.00 0.00 C ATOM 925 CE2 TYR B 19 -1.763 8.444 13.692 1.00 0.00 C ATOM 926 CZ TYR B 19 -2.536 7.579 14.435 1.00 0.00 C ATOM 927 OH TYR B 19 -2.267 7.392 15.770 1.00 0.00 O ATOM 0 H TYR B 19 -1.106 7.212 9.326 1.00 0.00 H new ATOM 0 HA TYR B 19 -3.822 6.143 9.743 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -2.777 8.989 9.909 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.435 8.494 10.184 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.671 6.548 12.051 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.440 9.310 11.773 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -4.182 6.220 14.434 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.943 8.974 14.154 1.00 0.00 H new ATOM 0 HH TYR B 19 -1.500 7.944 16.030 1.00 0.00 H new ATOM 937 N MET B 20 -4.134 6.366 7.250 1.00 0.00 N ATOM 938 CA MET B 20 -4.565 6.611 5.868 1.00 0.00 C ATOM 939 C MET B 20 -6.064 6.929 5.840 1.00 0.00 C ATOM 940 O MET B 20 -6.711 6.929 6.885 1.00 0.00 O ATOM 941 CB MET B 20 -4.263 5.412 4.948 1.00 0.00 C ATOM 942 CG MET B 20 -5.274 4.279 5.047 1.00 0.00 C ATOM 943 SD MET B 20 -5.604 3.522 3.445 1.00 0.00 S ATOM 944 CE MET B 20 -4.284 2.339 3.257 1.00 0.00 C ATOM 0 H MET B 20 -4.336 5.429 7.600 1.00 0.00 H new ATOM 0 HA MET B 20 -4.000 7.464 5.491 1.00 0.00 H new ATOM 0 HB2 MET B 20 -4.225 5.761 3.916 1.00 0.00 H new ATOM 0 HB3 MET B 20 -3.274 5.023 5.190 1.00 0.00 H new ATOM 0 HG2 MET B 20 -4.902 3.521 5.736 1.00 0.00 H new ATOM 0 HG3 MET B 20 -6.205 4.660 5.466 1.00 0.00 H new ATOM 0 HE1 MET B 20 -3.546 2.726 2.554 1.00 0.00 H new ATOM 0 HE2 MET B 20 -3.809 2.167 4.223 1.00 0.00 H new ATOM 0 HE3 MET B 20 -4.688 1.400 2.879 1.00 0.00 H new ATOM 954 N ASP B 21 -6.623 7.202 4.661 1.00 0.00 N ATOM 955 CA ASP B 21 -8.059 7.450 4.551 1.00 0.00 C ATOM 956 C ASP B 21 -8.843 6.155 4.698 1.00 0.00 C ATOM 957 O ASP B 21 -8.322 5.065 4.462 1.00 0.00 O ATOM 958 CB ASP B 21 -8.433 8.114 3.223 1.00 0.00 C ATOM 959 CG ASP B 21 -8.406 9.632 3.290 1.00 0.00 C ATOM 960 OD1 ASP B 21 -7.317 10.229 3.205 1.00 0.00 O ATOM 961 OD2 ASP B 21 -9.493 10.243 3.410 1.00 0.00 O ATOM 0 H ASP B 21 -6.111 7.256 3.780 1.00 0.00 H new ATOM 0 HA ASP B 21 -8.318 8.133 5.360 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -7.744 7.778 2.448 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -9.430 7.786 2.927 1.00 0.00 H new ATOM 966 N LYS B 22 -10.103 6.275 5.062 1.00 0.00 N ATOM 967 CA LYS B 22 -10.937 5.117 5.284 1.00 0.00 C ATOM 968 C LYS B 22 -11.414 4.547 3.973 1.00 0.00 C ATOM 969 O LYS B 22 -11.127 3.403 3.664 1.00 0.00 O ATOM 970 CB LYS B 22 -12.137 5.486 6.151 1.00 0.00 C ATOM 971 CG LYS B 22 -13.173 4.378 6.271 1.00 0.00 C ATOM 972 CD LYS B 22 -14.253 4.726 7.282 1.00 0.00 C ATOM 973 CE LYS B 22 -15.395 3.721 7.262 1.00 0.00 C ATOM 974 NZ LYS B 22 -16.199 3.806 6.012 1.00 0.00 N ATOM 0 H LYS B 22 -10.572 7.169 5.210 1.00 0.00 H new ATOM 0 HA LYS B 22 -10.342 4.363 5.800 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -11.785 5.751 7.148 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -12.614 6.373 5.735 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -13.630 4.200 5.297 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -12.682 3.451 6.567 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -13.818 4.761 8.281 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -14.642 5.722 7.069 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -14.992 2.714 7.364 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -16.043 3.894 8.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -17.075 3.256 6.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -16.437 4.800 5.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -15.648 3.421 5.218 1.00 0.00 H new ATOM 988 N ASP B 23 -12.123 5.364 3.211 1.00 0.00 N ATOM 989 CA ASP B 23 -12.745 4.937 1.955 1.00 0.00 C ATOM 990 C ASP B 23 -11.774 4.156 1.076 1.00 0.00 C ATOM 991 O ASP B 23 -12.147 3.166 0.456 1.00 0.00 O ATOM 992 CB ASP B 23 -13.271 6.153 1.194 1.00 0.00 C ATOM 993 CG ASP B 23 -13.822 5.800 -0.172 1.00 0.00 C ATOM 994 OD1 ASP B 23 -14.984 5.354 -0.252 1.00 0.00 O ATOM 995 OD2 ASP B 23 -13.095 5.980 -1.173 1.00 0.00 O ATOM 0 H ASP B 23 -12.287 6.344 3.441 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.572 4.273 2.206 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.053 6.633 1.782 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.466 6.879 1.079 1.00 0.00 H new ATOM 1000 N LEU B 24 -10.527 4.591 1.061 1.00 0.00 N ATOM 1001 CA LEU B 24 -9.493 3.955 0.278 1.00 0.00 C ATOM 1002 C LEU B 24 -9.051 2.628 0.895 1.00 0.00 C ATOM 1003 O LEU B 24 -9.128 1.585 0.242 1.00 0.00 O ATOM 1004 CB LEU B 24 -8.321 4.900 0.190 1.00 0.00 C ATOM 1005 CG LEU B 24 -6.995 4.240 -0.100 1.00 0.00 C ATOM 1006 CD1 LEU B 24 -6.718 4.193 -1.589 1.00 0.00 C ATOM 1007 CD2 LEU B 24 -5.929 4.965 0.673 1.00 0.00 C ATOM 0 H LEU B 24 -10.206 5.399 1.595 1.00 0.00 H new ATOM 0 HA LEU B 24 -9.885 3.733 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -8.523 5.635 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -8.241 5.446 1.130 1.00 0.00 H new ATOM 0 HG LEU B 24 -7.011 3.199 0.224 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -5.756 3.712 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -7.504 3.626 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -6.695 5.207 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -4.961 4.504 0.478 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -5.902 6.010 0.364 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -6.150 4.908 1.739 1.00 0.00 H new ATOM 1019 N LYS B 25 -8.566 2.671 2.142 1.00 0.00 N ATOM 1020 CA LYS B 25 -8.192 1.452 2.865 1.00 0.00 C ATOM 1021 C LYS B 25 -9.345 0.459 2.829 1.00 0.00 C ATOM 1022 O LYS B 25 -9.159 -0.748 2.700 1.00 0.00 O ATOM 1023 CB LYS B 25 -7.911 1.781 4.329 1.00 0.00 C ATOM 1024 CG LYS B 25 -7.044 0.755 5.032 1.00 0.00 C ATOM 1025 CD LYS B 25 -6.929 1.049 6.519 1.00 0.00 C ATOM 1026 CE LYS B 25 -8.076 0.430 7.311 1.00 0.00 C ATOM 1027 NZ LYS B 25 -9.383 1.097 7.068 1.00 0.00 N ATOM 0 H LYS B 25 -8.424 3.533 2.668 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.305 1.030 2.392 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -7.424 2.754 4.386 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -8.859 1.867 4.861 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -7.466 -0.240 4.888 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -6.051 0.748 4.583 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -5.980 0.664 6.893 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.920 2.128 6.676 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.160 -0.625 7.051 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -7.843 0.479 8.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -9.999 0.965 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -9.230 2.113 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -9.835 0.680 6.230 1.00 0.00 H new ATOM 1041 N THR B 26 -10.537 1.013 2.947 1.00 0.00 N ATOM 1042 CA THR B 26 -11.761 0.237 3.030 1.00 0.00 C ATOM 1043 C THR B 26 -12.147 -0.316 1.660 1.00 0.00 C ATOM 1044 O THR B 26 -12.708 -1.405 1.550 1.00 0.00 O ATOM 1045 CB THR B 26 -12.906 1.082 3.632 1.00 0.00 C ATOM 1046 OG1 THR B 26 -12.544 1.481 4.959 1.00 0.00 O ATOM 1047 CG2 THR B 26 -14.212 0.302 3.678 1.00 0.00 C ATOM 0 H THR B 26 -10.685 2.021 2.988 1.00 0.00 H new ATOM 0 HA THR B 26 -11.584 -0.609 3.694 1.00 0.00 H new ATOM 0 HB THR B 26 -13.058 1.955 2.998 1.00 0.00 H new ATOM 0 HG1 THR B 26 -11.899 2.217 4.915 1.00 0.00 H new ATOM 0 HG21 THR B 26 -14.995 0.928 4.107 1.00 0.00 H new ATOM 0 HG22 THR B 26 -14.496 0.008 2.668 1.00 0.00 H new ATOM 0 HG23 THR B 26 -14.082 -0.589 4.292 1.00 0.00 H new ATOM 1055 N ARG B 27 -11.820 0.435 0.623 1.00 0.00 N ATOM 1056 CA ARG B 27 -11.970 -0.033 -0.747 1.00 0.00 C ATOM 1057 C ARG B 27 -11.160 -1.310 -0.934 1.00 0.00 C ATOM 1058 O ARG B 27 -11.679 -2.338 -1.370 1.00 0.00 O ATOM 1059 CB ARG B 27 -11.492 1.058 -1.719 1.00 0.00 C ATOM 1060 CG ARG B 27 -11.234 0.567 -3.131 1.00 0.00 C ATOM 1061 CD ARG B 27 -12.513 0.123 -3.834 1.00 0.00 C ATOM 1062 NE ARG B 27 -13.457 1.230 -4.019 1.00 0.00 N ATOM 1063 CZ ARG B 27 -14.636 1.115 -4.633 1.00 0.00 C ATOM 1064 NH1 ARG B 27 -14.999 -0.035 -5.184 1.00 0.00 N ATOM 1065 NH2 ARG B 27 -15.443 2.164 -4.720 1.00 0.00 N ATOM 0 H ARG B 27 -11.445 1.380 0.704 1.00 0.00 H new ATOM 0 HA ARG B 27 -13.019 -0.247 -0.954 1.00 0.00 H new ATOM 0 HB2 ARG B 27 -12.240 1.850 -1.753 1.00 0.00 H new ATOM 0 HB3 ARG B 27 -10.576 1.501 -1.328 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -10.762 1.362 -3.709 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -10.531 -0.266 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG B 27 -12.262 -0.304 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG B 27 -12.990 -0.666 -3.252 1.00 0.00 H new ATOM 0 HE ARG B 27 -13.196 2.146 -3.655 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -14.375 -0.841 -5.140 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -15.902 -0.114 -5.651 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -15.162 3.058 -4.318 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -16.344 2.076 -5.189 1.00 0.00 H new ATOM 1079 N LEU B 28 -9.885 -1.226 -0.593 1.00 0.00 N ATOM 1080 CA LEU B 28 -8.999 -2.375 -0.605 1.00 0.00 C ATOM 1081 C LEU B 28 -9.492 -3.473 0.349 1.00 0.00 C ATOM 1082 O LEU B 28 -9.352 -4.660 0.057 1.00 0.00 O ATOM 1083 CB LEU B 28 -7.595 -1.893 -0.241 1.00 0.00 C ATOM 1084 CG LEU B 28 -6.464 -2.887 -0.436 1.00 0.00 C ATOM 1085 CD1 LEU B 28 -6.383 -3.829 0.740 1.00 0.00 C ATOM 1086 CD2 LEU B 28 -6.657 -3.640 -1.734 1.00 0.00 C ATOM 0 H LEU B 28 -9.436 -0.358 -0.300 1.00 0.00 H new ATOM 0 HA LEU B 28 -8.984 -2.824 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -7.375 -1.006 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -7.601 -1.584 0.804 1.00 0.00 H new ATOM 0 HG LEU B 28 -5.519 -2.347 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -5.567 -4.535 0.585 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -6.201 -3.259 1.651 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -7.322 -4.374 0.835 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -5.842 -4.351 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -7.605 -4.176 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.663 -2.936 -2.566 1.00 0.00 H new ATOM 1098 N LYS B 29 -10.065 -3.080 1.480 1.00 0.00 N ATOM 1099 CA LYS B 29 -10.646 -4.036 2.427 1.00 0.00 C ATOM 1100 C LYS B 29 -11.694 -4.900 1.738 1.00 0.00 C ATOM 1101 O LYS B 29 -11.719 -6.120 1.900 1.00 0.00 O ATOM 1102 CB LYS B 29 -11.250 -3.283 3.625 1.00 0.00 C ATOM 1103 CG LYS B 29 -12.034 -4.143 4.610 1.00 0.00 C ATOM 1104 CD LYS B 29 -13.491 -4.284 4.192 1.00 0.00 C ATOM 1105 CE LYS B 29 -14.277 -5.131 5.174 1.00 0.00 C ATOM 1106 NZ LYS B 29 -15.709 -5.238 4.797 1.00 0.00 N ATOM 0 H LYS B 29 -10.142 -2.105 1.768 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.860 -4.696 2.794 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.443 -2.786 4.164 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.909 -2.502 3.247 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.577 -5.130 4.677 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.981 -3.699 5.604 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -13.946 -3.296 4.118 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.543 -4.734 3.200 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -13.840 -6.128 5.223 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.196 -4.698 6.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -16.209 -5.825 5.495 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.134 -4.289 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.789 -5.675 3.857 1.00 0.00 H new ATOM 1120 N VAL B 30 -12.545 -4.260 0.956 1.00 0.00 N ATOM 1121 CA VAL B 30 -13.585 -4.960 0.223 1.00 0.00 C ATOM 1122 C VAL B 30 -12.978 -5.855 -0.841 1.00 0.00 C ATOM 1123 O VAL B 30 -13.471 -6.950 -1.117 1.00 0.00 O ATOM 1124 CB VAL B 30 -14.563 -3.960 -0.400 1.00 0.00 C ATOM 1125 CG1 VAL B 30 -15.635 -4.667 -1.212 1.00 0.00 C ATOM 1126 CG2 VAL B 30 -15.174 -3.113 0.701 1.00 0.00 C ATOM 0 H VAL B 30 -12.536 -3.250 0.812 1.00 0.00 H new ATOM 0 HA VAL B 30 -14.137 -5.590 0.920 1.00 0.00 H new ATOM 0 HB VAL B 30 -14.021 -3.313 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -16.313 -3.929 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -15.167 -5.238 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -16.196 -5.342 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -15.872 -2.398 0.265 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -15.705 -3.756 1.403 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -14.385 -2.575 1.227 1.00 0.00 H new ATOM 1136 N TYR B 31 -11.882 -5.393 -1.400 1.00 0.00 N ATOM 1137 CA TYR B 31 -11.121 -6.171 -2.351 1.00 0.00 C ATOM 1138 C TYR B 31 -10.584 -7.429 -1.676 1.00 0.00 C ATOM 1139 O TYR B 31 -10.573 -8.516 -2.264 1.00 0.00 O ATOM 1140 CB TYR B 31 -9.973 -5.331 -2.907 1.00 0.00 C ATOM 1141 CG TYR B 31 -9.091 -6.098 -3.848 1.00 0.00 C ATOM 1142 CD1 TYR B 31 -9.503 -6.364 -5.141 1.00 0.00 C ATOM 1143 CD2 TYR B 31 -7.857 -6.578 -3.436 1.00 0.00 C ATOM 1144 CE1 TYR B 31 -8.714 -7.089 -6.001 1.00 0.00 C ATOM 1145 CE2 TYR B 31 -7.054 -7.300 -4.292 1.00 0.00 C ATOM 1146 CZ TYR B 31 -7.489 -7.556 -5.577 1.00 0.00 C ATOM 1147 OH TYR B 31 -6.704 -8.288 -6.442 1.00 0.00 O ATOM 0 H TYR B 31 -11.494 -4.469 -1.209 1.00 0.00 H new ATOM 0 HA TYR B 31 -11.768 -6.467 -3.177 1.00 0.00 H new ATOM 0 HB2 TYR B 31 -10.382 -4.464 -3.426 1.00 0.00 H new ATOM 0 HB3 TYR B 31 -9.372 -4.953 -2.080 1.00 0.00 H new ATOM 0 HD1 TYR B 31 -10.460 -5.996 -5.480 1.00 0.00 H new ATOM 0 HD2 TYR B 31 -7.520 -6.383 -2.429 1.00 0.00 H new ATOM 0 HE1 TYR B 31 -9.053 -7.292 -7.006 1.00 0.00 H new ATOM 0 HE2 TYR B 31 -6.092 -7.663 -3.960 1.00 0.00 H new ATOM 0 HH TYR B 31 -5.871 -8.543 -5.992 1.00 0.00 H new ATOM 1157 N CYS B 32 -10.160 -7.273 -0.429 1.00 0.00 N ATOM 1158 CA CYS B 32 -9.638 -8.390 0.346 1.00 0.00 C ATOM 1159 C CYS B 32 -10.742 -9.375 0.694 1.00 0.00 C ATOM 1160 O CYS B 32 -10.537 -10.576 0.693 1.00 0.00 O ATOM 1161 CB CYS B 32 -8.959 -7.891 1.621 1.00 0.00 C ATOM 1162 SG CYS B 32 -7.535 -6.830 1.319 1.00 0.00 S ATOM 0 H CYS B 32 -10.167 -6.382 0.068 1.00 0.00 H new ATOM 0 HA CYS B 32 -8.898 -8.904 -0.267 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -9.688 -7.344 2.219 1.00 0.00 H new ATOM 0 HB3 CYS B 32 -8.642 -8.750 2.212 1.00 0.00 H new ATOM 0 HG CYS B 32 -6.445 -7.472 1.617 1.00 0.00 H new ATOM 1168 N ALA B 33 -11.920 -8.859 0.960 1.00 0.00 N ATOM 1169 CA ALA B 33 -13.054 -9.690 1.321 1.00 0.00 C ATOM 1170 C ALA B 33 -13.546 -10.480 0.113 1.00 0.00 C ATOM 1171 O ALA B 33 -13.919 -11.646 0.221 1.00 0.00 O ATOM 1172 CB ALA B 33 -14.159 -8.815 1.882 1.00 0.00 C ATOM 0 H ALA B 33 -12.122 -7.860 0.934 1.00 0.00 H new ATOM 0 HA ALA B 33 -12.748 -10.407 2.083 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -15.012 -9.436 2.154 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -13.795 -8.291 2.766 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -14.465 -8.088 1.130 1.00 0.00 H new ATOM 1178 N LYS B 34 -13.511 -9.832 -1.040 1.00 0.00 N ATOM 1179 CA LYS B 34 -13.997 -10.412 -2.278 1.00 0.00 C ATOM 1180 C LYS B 34 -13.064 -11.500 -2.793 1.00 0.00 C ATOM 1181 O LYS B 34 -13.513 -12.520 -3.318 1.00 0.00 O ATOM 1182 CB LYS B 34 -14.156 -9.299 -3.317 1.00 0.00 C ATOM 1183 CG LYS B 34 -14.680 -9.757 -4.663 1.00 0.00 C ATOM 1184 CD LYS B 34 -14.742 -8.593 -5.640 1.00 0.00 C ATOM 1185 CE LYS B 34 -15.175 -9.029 -7.029 1.00 0.00 C ATOM 1186 NZ LYS B 34 -15.239 -7.879 -7.969 1.00 0.00 N ATOM 0 H LYS B 34 -13.143 -8.886 -1.142 1.00 0.00 H new ATOM 0 HA LYS B 34 -14.962 -10.884 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -14.832 -8.542 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -13.189 -8.817 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -14.035 -10.540 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -15.673 -10.191 -4.544 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -15.437 -7.842 -5.264 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -13.762 -8.119 -5.699 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -14.477 -9.774 -7.411 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -16.152 -9.508 -6.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -15.538 -8.214 -8.907 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -15.924 -7.180 -7.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -14.300 -7.438 -8.042 1.00 0.00 H new ATOM 1200 N ASN B 35 -11.770 -11.288 -2.635 1.00 0.00 N ATOM 1201 CA ASN B 35 -10.789 -12.266 -3.084 1.00 0.00 C ATOM 1202 C ASN B 35 -10.365 -13.157 -1.940 1.00 0.00 C ATOM 1203 O ASN B 35 -9.552 -14.062 -2.119 1.00 0.00 O ATOM 1204 CB ASN B 35 -9.559 -11.576 -3.664 1.00 0.00 C ATOM 1205 CG ASN B 35 -9.847 -10.890 -4.981 1.00 0.00 C ATOM 1206 OD1 ASN B 35 -9.676 -11.475 -6.050 1.00 0.00 O ATOM 1207 ND2 ASN B 35 -10.286 -9.645 -4.918 1.00 0.00 N ATOM 0 H ASN B 35 -11.373 -10.454 -2.202 1.00 0.00 H new ATOM 0 HA ASN B 35 -11.257 -12.871 -3.860 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.187 -10.842 -2.949 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -8.767 -12.311 -3.807 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -10.496 -9.134 -5.776 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -10.415 -9.195 -4.012 1.00 0.00 H new ATOM 1214 N ASN B 36 -10.923 -12.887 -0.761 1.00 0.00 N ATOM 1215 CA ASN B 36 -10.523 -13.584 0.462 1.00 0.00 C ATOM 1216 C ASN B 36 -9.039 -13.348 0.754 1.00 0.00 C ATOM 1217 O ASN B 36 -8.388 -14.147 1.429 1.00 0.00 O ATOM 1218 CB ASN B 36 -10.812 -15.088 0.371 1.00 0.00 C ATOM 1219 CG ASN B 36 -12.290 -15.417 0.434 1.00 0.00 C ATOM 1220 OD1 ASN B 36 -12.912 -15.320 1.491 1.00 0.00 O ATOM 1221 ND2 ASN B 36 -12.851 -15.856 -0.685 1.00 0.00 N ATOM 0 H ASN B 36 -11.655 -12.189 -0.626 1.00 0.00 H new ATOM 0 HA ASN B 36 -11.114 -13.177 1.282 1.00 0.00 H new ATOM 0 HB2 ASN B 36 -10.400 -15.475 -0.561 1.00 0.00 H new ATOM 0 HB3 ASN B 36 -10.297 -15.600 1.184 1.00 0.00 H new ATOM 0 HD21 ASN B 36 -13.834 -16.128 -0.690 1.00 0.00 H new ATOM 0 HD22 ASN B 36 -12.299 -15.921 -1.541 1.00 0.00 H new ATOM 1228 N LEU B 37 -8.519 -12.239 0.236 1.00 0.00 N ATOM 1229 CA LEU B 37 -7.136 -11.844 0.453 1.00 0.00 C ATOM 1230 C LEU B 37 -6.947 -11.272 1.845 1.00 0.00 C ATOM 1231 O LEU B 37 -7.907 -10.895 2.516 1.00 0.00 O ATOM 1232 CB LEU B 37 -6.714 -10.797 -0.578 1.00 0.00 C ATOM 1233 CG LEU B 37 -5.762 -11.295 -1.668 1.00 0.00 C ATOM 1234 CD1 LEU B 37 -6.358 -12.477 -2.410 1.00 0.00 C ATOM 1235 CD2 LEU B 37 -5.429 -10.167 -2.635 1.00 0.00 C ATOM 0 H LEU B 37 -9.048 -11.590 -0.347 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.516 -12.734 0.347 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -7.610 -10.400 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.238 -9.968 -0.055 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.840 -11.628 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.662 -12.812 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -6.543 -13.291 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -7.297 -12.178 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.751 -10.536 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -6.345 -9.805 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -4.952 -9.351 -2.092 1.00 0.00 H new ATOM 1247 N GLN B 38 -5.698 -11.203 2.268 1.00 0.00 N ATOM 1248 CA GLN B 38 -5.361 -10.608 3.544 1.00 0.00 C ATOM 1249 C GLN B 38 -5.071 -9.131 3.351 1.00 0.00 C ATOM 1250 O GLN B 38 -4.373 -8.773 2.403 1.00 0.00 O ATOM 1251 CB GLN B 38 -4.147 -11.297 4.157 1.00 0.00 C ATOM 1252 CG GLN B 38 -4.358 -12.776 4.401 1.00 0.00 C ATOM 1253 CD GLN B 38 -3.124 -13.462 4.953 1.00 0.00 C ATOM 1254 OE1 GLN B 38 -2.940 -13.546 6.168 1.00 0.00 O ATOM 1255 NE2 GLN B 38 -2.266 -13.951 4.069 1.00 0.00 N ATOM 0 H GLN B 38 -4.898 -11.554 1.742 1.00 0.00 H new ATOM 0 HA GLN B 38 -6.205 -10.731 4.222 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.290 -11.163 3.497 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.901 -10.812 5.101 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -5.185 -12.910 5.098 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -4.648 -13.256 3.466 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -2.455 -13.861 3.071 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.416 -14.417 4.387 1.00 0.00 H new ATOM 1264 N LEU B 39 -5.621 -8.288 4.211 1.00 0.00 N ATOM 1265 CA LEU B 39 -5.379 -6.843 4.140 1.00 0.00 C ATOM 1266 C LEU B 39 -3.896 -6.539 3.928 1.00 0.00 C ATOM 1267 O LEU B 39 -3.526 -5.812 3.006 1.00 0.00 O ATOM 1268 CB LEU B 39 -5.867 -6.153 5.414 1.00 0.00 C ATOM 1269 CG LEU B 39 -6.963 -5.099 5.218 1.00 0.00 C ATOM 1270 CD1 LEU B 39 -6.571 -4.104 4.136 1.00 0.00 C ATOM 1271 CD2 LEU B 39 -8.293 -5.756 4.887 1.00 0.00 C ATOM 0 H LEU B 39 -6.240 -8.574 4.970 1.00 0.00 H new ATOM 0 HA LEU B 39 -5.937 -6.458 3.286 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -6.239 -6.915 6.099 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -5.014 -5.678 5.898 1.00 0.00 H new ATOM 0 HG LEU B 39 -7.077 -4.554 6.155 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -7.364 -3.366 4.015 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -5.648 -3.600 4.422 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -6.420 -4.631 3.194 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -9.055 -4.988 4.753 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -8.195 -6.334 3.968 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -8.585 -6.418 5.703 1.00 0.00 H new ATOM 1283 N THR B 40 -3.059 -7.128 4.770 1.00 0.00 N ATOM 1284 CA THR B 40 -1.621 -6.919 4.698 1.00 0.00 C ATOM 1285 C THR B 40 -1.071 -7.365 3.346 1.00 0.00 C ATOM 1286 O THR B 40 -0.326 -6.630 2.696 1.00 0.00 O ATOM 1287 CB THR B 40 -0.899 -7.690 5.819 1.00 0.00 C ATOM 1288 OG1 THR B 40 -1.544 -7.449 7.079 1.00 0.00 O ATOM 1289 CG2 THR B 40 0.563 -7.282 5.915 1.00 0.00 C ATOM 0 H THR B 40 -3.354 -7.758 5.516 1.00 0.00 H new ATOM 0 HA THR B 40 -1.439 -5.851 4.822 1.00 0.00 H new ATOM 0 HB THR B 40 -0.948 -8.752 5.578 1.00 0.00 H new ATOM 0 HG1 THR B 40 -1.079 -7.945 7.785 1.00 0.00 H new ATOM 0 HG21 THR B 40 1.046 -7.843 6.715 1.00 0.00 H new ATOM 0 HG22 THR B 40 1.063 -7.495 4.970 1.00 0.00 H new ATOM 0 HG23 THR B 40 0.630 -6.215 6.129 1.00 0.00 H new ATOM 1297 N GLN B 41 -1.468 -8.560 2.932 1.00 0.00 N ATOM 1298 CA GLN B 41 -1.047 -9.128 1.659 1.00 0.00 C ATOM 1299 C GLN B 41 -1.405 -8.188 0.509 1.00 0.00 C ATOM 1300 O GLN B 41 -0.631 -8.016 -0.430 1.00 0.00 O ATOM 1301 CB GLN B 41 -1.728 -10.485 1.465 1.00 0.00 C ATOM 1302 CG GLN B 41 -1.110 -11.346 0.379 1.00 0.00 C ATOM 1303 CD GLN B 41 -1.892 -12.624 0.147 1.00 0.00 C ATOM 1304 OE1 GLN B 41 -1.667 -13.635 0.808 1.00 0.00 O ATOM 1305 NE2 GLN B 41 -2.817 -12.587 -0.799 1.00 0.00 N ATOM 0 H GLN B 41 -2.091 -9.163 3.469 1.00 0.00 H new ATOM 0 HA GLN B 41 0.035 -9.261 1.665 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -1.697 -11.032 2.407 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -2.779 -10.320 1.227 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -1.062 -10.778 -0.550 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -0.085 -11.594 0.654 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -2.974 -11.728 -1.326 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -3.373 -13.418 -1.001 1.00 0.00 H new ATOM 1314 N ALA B 42 -2.575 -7.572 0.611 1.00 0.00 N ATOM 1315 CA ALA B 42 -3.056 -6.645 -0.403 1.00 0.00 C ATOM 1316 C ALA B 42 -2.244 -5.362 -0.404 1.00 0.00 C ATOM 1317 O ALA B 42 -1.881 -4.860 -1.462 1.00 0.00 O ATOM 1318 CB ALA B 42 -4.512 -6.334 -0.173 1.00 0.00 C ATOM 0 H ALA B 42 -3.214 -7.700 1.395 1.00 0.00 H new ATOM 0 HA ALA B 42 -2.940 -7.121 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -4.861 -5.640 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.093 -7.254 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -4.637 -5.883 0.811 1.00 0.00 H new ATOM 1324 N ILE B 43 -1.967 -4.826 0.784 1.00 0.00 N ATOM 1325 CA ILE B 43 -1.120 -3.645 0.901 1.00 0.00 C ATOM 1326 C ILE B 43 0.244 -3.912 0.294 1.00 0.00 C ATOM 1327 O ILE B 43 0.762 -3.097 -0.460 1.00 0.00 O ATOM 1328 CB ILE B 43 -0.946 -3.194 2.371 1.00 0.00 C ATOM 1329 CG1 ILE B 43 -2.001 -2.147 2.733 1.00 0.00 C ATOM 1330 CG2 ILE B 43 0.462 -2.662 2.616 1.00 0.00 C ATOM 1331 CD1 ILE B 43 -3.412 -2.684 2.741 1.00 0.00 C ATOM 0 H ILE B 43 -2.315 -5.189 1.671 1.00 0.00 H new ATOM 0 HA ILE B 43 -1.618 -2.842 0.358 1.00 0.00 H new ATOM 0 HB ILE B 43 -1.088 -4.061 3.017 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -1.772 -1.738 3.717 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -1.940 -1.322 2.023 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.558 -2.352 3.657 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.189 -3.445 2.402 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.647 -1.808 1.964 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -4.104 -1.885 3.006 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -3.661 -3.066 1.751 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -3.491 -3.489 3.471 1.00 0.00 H new ATOM 1343 N GLU B 44 0.813 -5.055 0.633 1.00 0.00 N ATOM 1344 CA GLU B 44 2.123 -5.431 0.133 1.00 0.00 C ATOM 1345 C GLU B 44 2.108 -5.538 -1.382 1.00 0.00 C ATOM 1346 O GLU B 44 3.009 -5.046 -2.047 1.00 0.00 O ATOM 1347 CB GLU B 44 2.576 -6.751 0.742 1.00 0.00 C ATOM 1348 CG GLU B 44 2.786 -6.695 2.243 1.00 0.00 C ATOM 1349 CD GLU B 44 3.351 -7.988 2.784 1.00 0.00 C ATOM 1350 OE1 GLU B 44 2.569 -8.930 3.023 1.00 0.00 O ATOM 1351 OE2 GLU B 44 4.582 -8.076 2.947 1.00 0.00 O ATOM 0 H GLU B 44 0.386 -5.741 1.255 1.00 0.00 H new ATOM 0 HA GLU B 44 2.828 -4.653 0.423 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.834 -7.517 0.517 1.00 0.00 H new ATOM 0 HB3 GLU B 44 3.507 -7.059 0.266 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.462 -5.875 2.484 1.00 0.00 H new ATOM 0 HG3 GLU B 44 1.837 -6.480 2.734 1.00 0.00 H new ATOM 1358 N GLU B 45 1.079 -6.179 -1.918 1.00 0.00 N ATOM 1359 CA GLU B 45 0.885 -6.241 -3.362 1.00 0.00 C ATOM 1360 C GLU B 45 0.723 -4.836 -3.923 1.00 0.00 C ATOM 1361 O GLU B 45 1.272 -4.500 -4.974 1.00 0.00 O ATOM 1362 CB GLU B 45 -0.357 -7.075 -3.699 1.00 0.00 C ATOM 1363 CG GLU B 45 -0.209 -8.563 -3.436 1.00 0.00 C ATOM 1364 CD GLU B 45 0.458 -9.295 -4.578 1.00 0.00 C ATOM 1365 OE1 GLU B 45 -0.256 -9.720 -5.513 1.00 0.00 O ATOM 1366 OE2 GLU B 45 1.696 -9.461 -4.541 1.00 0.00 O ATOM 0 H GLU B 45 0.365 -6.664 -1.375 1.00 0.00 H new ATOM 0 HA GLU B 45 1.760 -6.712 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -1.200 -6.699 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -0.603 -6.928 -4.751 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.373 -8.711 -2.526 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -1.193 -8.996 -3.258 1.00 0.00 H new ATOM 1373 N ALA B 46 -0.021 -4.013 -3.192 1.00 0.00 N ATOM 1374 CA ALA B 46 -0.291 -2.648 -3.600 1.00 0.00 C ATOM 1375 C ALA B 46 0.994 -1.845 -3.662 1.00 0.00 C ATOM 1376 O ALA B 46 1.321 -1.258 -4.686 1.00 0.00 O ATOM 1377 CB ALA B 46 -1.281 -1.989 -2.644 1.00 0.00 C ATOM 0 H ALA B 46 -0.450 -4.276 -2.305 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.733 -2.671 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.471 -0.965 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.216 -2.550 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.864 -1.981 -1.637 1.00 0.00 H new ATOM 1383 N ILE B 47 1.726 -1.851 -2.560 1.00 0.00 N ATOM 1384 CA ILE B 47 2.944 -1.093 -2.445 1.00 0.00 C ATOM 1385 C ILE B 47 4.041 -1.676 -3.339 1.00 0.00 C ATOM 1386 O ILE B 47 4.923 -0.956 -3.808 1.00 0.00 O ATOM 1387 CB ILE B 47 3.396 -1.034 -0.966 1.00 0.00 C ATOM 1388 CG1 ILE B 47 4.553 -0.065 -0.785 1.00 0.00 C ATOM 1389 CG2 ILE B 47 3.776 -2.414 -0.448 1.00 0.00 C ATOM 1390 CD1 ILE B 47 4.840 0.245 0.665 1.00 0.00 C ATOM 0 H ILE B 47 1.486 -2.384 -1.724 1.00 0.00 H new ATOM 0 HA ILE B 47 2.754 -0.075 -2.786 1.00 0.00 H new ATOM 0 HB ILE B 47 2.550 -0.672 -0.382 1.00 0.00 H new ATOM 0 HG12 ILE B 47 5.447 -0.485 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE B 47 4.329 0.863 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE B 47 4.089 -2.338 0.593 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.916 -3.080 -0.521 1.00 0.00 H new ATOM 0 HG23 ILE B 47 4.596 -2.814 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE B 47 5.676 0.942 0.730 1.00 0.00 H new ATOM 0 HD12 ILE B 47 3.958 0.693 1.123 1.00 0.00 H new ATOM 0 HD13 ILE B 47 5.094 -0.676 1.191 1.00 0.00 H new ATOM 1402 N LYS B 48 3.957 -2.975 -3.606 1.00 0.00 N ATOM 1403 CA LYS B 48 4.930 -3.641 -4.453 1.00 0.00 C ATOM 1404 C LYS B 48 4.762 -3.210 -5.898 1.00 0.00 C ATOM 1405 O LYS B 48 5.695 -2.701 -6.525 1.00 0.00 O ATOM 1406 CB LYS B 48 4.763 -5.160 -4.350 1.00 0.00 C ATOM 1407 CG LYS B 48 5.655 -5.970 -5.285 1.00 0.00 C ATOM 1408 CD LYS B 48 7.080 -6.136 -4.761 1.00 0.00 C ATOM 1409 CE LYS B 48 7.887 -4.847 -4.824 1.00 0.00 C ATOM 1410 NZ LYS B 48 9.333 -5.096 -4.586 1.00 0.00 N ATOM 0 H LYS B 48 3.223 -3.585 -3.246 1.00 0.00 H new ATOM 0 HA LYS B 48 5.928 -3.362 -4.115 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.967 -5.464 -3.323 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.723 -5.411 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.213 -6.955 -5.436 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.687 -5.482 -6.259 1.00 0.00 H new ATOM 0 HD2 LYS B 48 7.044 -6.486 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS B 48 7.588 -6.906 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS B 48 7.753 -4.380 -5.800 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.511 -4.144 -4.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.853 -4.197 -4.636 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 9.462 -5.519 -3.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.697 -5.747 -5.311 1.00 0.00 H new ATOM 1424 N GLU B 49 3.558 -3.396 -6.415 1.00 0.00 N ATOM 1425 CA GLU B 49 3.273 -3.068 -7.801 1.00 0.00 C ATOM 1426 C GLU B 49 3.215 -1.566 -7.998 1.00 0.00 C ATOM 1427 O GLU B 49 3.186 -1.080 -9.124 1.00 0.00 O ATOM 1428 CB GLU B 49 1.961 -3.725 -8.262 1.00 0.00 C ATOM 1429 CG GLU B 49 2.105 -5.189 -8.705 1.00 0.00 C ATOM 1430 CD GLU B 49 0.794 -5.923 -8.717 1.00 0.00 C ATOM 1431 OE1 GLU B 49 -0.112 -5.498 -9.466 1.00 0.00 O ATOM 1432 OE2 GLU B 49 0.674 -6.940 -8.001 1.00 0.00 O ATOM 0 H GLU B 49 2.764 -3.772 -5.896 1.00 0.00 H new ATOM 0 HA GLU B 49 4.084 -3.462 -8.413 1.00 0.00 H new ATOM 0 HB2 GLU B 49 1.238 -3.674 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU B 49 1.551 -3.147 -9.090 1.00 0.00 H new ATOM 0 HG2 GLU B 49 2.544 -5.221 -9.702 1.00 0.00 H new ATOM 0 HG3 GLU B 49 2.797 -5.700 -8.036 1.00 0.00 H new ATOM 1439 N TYR B 50 3.226 -0.838 -6.903 1.00 0.00 N ATOM 1440 CA TYR B 50 3.252 0.595 -6.954 1.00 0.00 C ATOM 1441 C TYR B 50 4.643 1.071 -7.321 1.00 0.00 C ATOM 1442 O TYR B 50 4.804 1.939 -8.172 1.00 0.00 O ATOM 1443 CB TYR B 50 2.818 1.149 -5.612 1.00 0.00 C ATOM 1444 CG TYR B 50 2.986 2.631 -5.464 1.00 0.00 C ATOM 1445 CD1 TYR B 50 2.172 3.513 -6.152 1.00 0.00 C ATOM 1446 CD2 TYR B 50 3.948 3.140 -4.608 1.00 0.00 C ATOM 1447 CE1 TYR B 50 2.316 4.873 -5.995 1.00 0.00 C ATOM 1448 CE2 TYR B 50 4.100 4.504 -4.440 1.00 0.00 C ATOM 1449 CZ TYR B 50 3.281 5.367 -5.138 1.00 0.00 C ATOM 1450 OH TYR B 50 3.426 6.727 -4.981 1.00 0.00 O ATOM 0 H TYR B 50 3.217 -1.227 -5.960 1.00 0.00 H new ATOM 0 HA TYR B 50 2.562 0.954 -7.718 1.00 0.00 H new ATOM 0 HB2 TYR B 50 1.769 0.898 -5.452 1.00 0.00 H new ATOM 0 HB3 TYR B 50 3.388 0.652 -4.827 1.00 0.00 H new ATOM 0 HD1 TYR B 50 1.415 3.130 -6.820 1.00 0.00 H new ATOM 0 HD2 TYR B 50 4.589 2.462 -4.064 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.677 5.552 -6.540 1.00 0.00 H new ATOM 0 HE2 TYR B 50 4.853 4.890 -3.769 1.00 0.00 H new ATOM 0 HH TYR B 50 4.148 6.908 -4.343 1.00 0.00 H new ATOM 1460 N LEU B 51 5.650 0.480 -6.687 1.00 0.00 N ATOM 1461 CA LEU B 51 7.033 0.785 -7.016 1.00 0.00 C ATOM 1462 C LEU B 51 7.337 0.436 -8.464 1.00 0.00 C ATOM 1463 O LEU B 51 8.048 1.170 -9.139 1.00 0.00 O ATOM 1464 CB LEU B 51 8.014 0.055 -6.094 1.00 0.00 C ATOM 1465 CG LEU B 51 8.440 0.814 -4.830 1.00 0.00 C ATOM 1466 CD1 LEU B 51 8.163 2.305 -4.957 1.00 0.00 C ATOM 1467 CD2 LEU B 51 7.770 0.229 -3.596 1.00 0.00 C ATOM 0 H LEU B 51 5.533 -0.210 -5.945 1.00 0.00 H new ATOM 0 HA LEU B 51 7.163 1.857 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.563 -0.890 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU B 51 8.909 -0.188 -6.667 1.00 0.00 H new ATOM 0 HG LEU B 51 9.517 0.694 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.477 2.812 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.718 2.707 -5.805 1.00 0.00 H new ATOM 0 HD13 LEU B 51 7.096 2.465 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU B 51 8.087 0.783 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.687 0.302 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU B 51 8.055 -0.818 -3.489 1.00 0.00 H new ATOM 1479 N GLN B 52 6.784 -0.665 -8.944 1.00 0.00 N ATOM 1480 CA GLN B 52 7.041 -1.086 -10.321 1.00 0.00 C ATOM 1481 C GLN B 52 6.263 -0.236 -11.317 1.00 0.00 C ATOM 1482 O GLN B 52 6.754 0.059 -12.405 1.00 0.00 O ATOM 1483 CB GLN B 52 6.719 -2.568 -10.534 1.00 0.00 C ATOM 1484 CG GLN B 52 7.880 -3.505 -10.227 1.00 0.00 C ATOM 1485 CD GLN B 52 8.152 -3.651 -8.746 1.00 0.00 C ATOM 1486 OE1 GLN B 52 8.922 -2.892 -8.160 1.00 0.00 O ATOM 1487 NE2 GLN B 52 7.526 -4.639 -8.131 1.00 0.00 N ATOM 0 H GLN B 52 6.164 -1.278 -8.415 1.00 0.00 H new ATOM 0 HA GLN B 52 8.107 -0.941 -10.497 1.00 0.00 H new ATOM 0 HB2 GLN B 52 5.871 -2.839 -9.905 1.00 0.00 H new ATOM 0 HB3 GLN B 52 6.409 -2.717 -11.568 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.667 -4.487 -10.649 1.00 0.00 H new ATOM 0 HG3 GLN B 52 8.778 -3.134 -10.720 1.00 0.00 H new ATOM 0 HE21 GLN B 52 6.895 -5.247 -8.654 1.00 0.00 H new ATOM 0 HE22 GLN B 52 7.674 -4.794 -7.134 1.00 0.00 H new ATOM 1496 N LYS B 53 5.055 0.161 -10.946 1.00 0.00 N ATOM 1497 CA LYS B 53 4.250 1.034 -11.788 1.00 0.00 C ATOM 1498 C LYS B 53 4.834 2.437 -11.795 1.00 0.00 C ATOM 1499 O LYS B 53 4.575 3.236 -12.697 1.00 0.00 O ATOM 1500 CB LYS B 53 2.812 1.081 -11.286 1.00 0.00 C ATOM 1501 CG LYS B 53 1.899 1.874 -12.194 1.00 0.00 C ATOM 1502 CD LYS B 53 0.588 2.205 -11.515 1.00 0.00 C ATOM 1503 CE LYS B 53 -0.282 3.069 -12.405 1.00 0.00 C ATOM 1504 NZ LYS B 53 -1.280 3.839 -11.623 1.00 0.00 N ATOM 0 H LYS B 53 4.611 -0.107 -10.068 1.00 0.00 H new ATOM 0 HA LYS B 53 4.257 0.636 -12.803 1.00 0.00 H new ATOM 0 HB2 LYS B 53 2.431 0.064 -11.194 1.00 0.00 H new ATOM 0 HB3 LYS B 53 2.795 1.520 -10.288 1.00 0.00 H new ATOM 0 HG2 LYS B 53 2.396 2.796 -12.495 1.00 0.00 H new ATOM 0 HG3 LYS B 53 1.705 1.305 -13.103 1.00 0.00 H new ATOM 0 HD2 LYS B 53 0.060 1.284 -11.268 1.00 0.00 H new ATOM 0 HD3 LYS B 53 0.782 2.723 -10.576 1.00 0.00 H new ATOM 0 HE2 LYS B 53 0.347 3.758 -12.969 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -0.797 2.440 -13.131 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -1.739 4.539 -12.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -1.998 3.190 -11.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 -0.804 4.328 -10.838 1.00 0.00 H new ATOM 1518 N ARG B 54 5.640 2.721 -10.793 1.00 0.00 N ATOM 1519 CA ARG B 54 6.180 4.043 -10.613 1.00 0.00 C ATOM 1520 C ARG B 54 7.599 4.104 -11.154 1.00 0.00 C ATOM 1521 O ARG B 54 7.845 4.687 -12.209 1.00 0.00 O ATOM 1522 CB ARG B 54 6.165 4.405 -9.134 1.00 0.00 C ATOM 1523 CG ARG B 54 5.895 5.871 -8.862 1.00 0.00 C ATOM 1524 CD ARG B 54 4.406 6.166 -8.902 1.00 0.00 C ATOM 1525 NE ARG B 54 4.080 7.472 -8.332 1.00 0.00 N ATOM 1526 CZ ARG B 54 2.842 7.839 -8.001 1.00 0.00 C ATOM 1527 NH1 ARG B 54 1.823 7.038 -8.279 1.00 0.00 N ATOM 1528 NH2 ARG B 54 2.621 9.007 -7.414 1.00 0.00 N ATOM 0 H ARG B 54 5.934 2.045 -10.088 1.00 0.00 H new ATOM 0 HA ARG B 54 5.567 4.759 -11.161 1.00 0.00 H new ATOM 0 HB2 ARG B 54 5.405 3.807 -8.632 1.00 0.00 H new ATOM 0 HB3 ARG B 54 7.125 4.135 -8.694 1.00 0.00 H new ATOM 0 HG2 ARG B 54 6.297 6.144 -7.886 1.00 0.00 H new ATOM 0 HG3 ARG B 54 6.411 6.483 -9.602 1.00 0.00 H new ATOM 0 HD2 ARG B 54 4.058 6.126 -9.934 1.00 0.00 H new ATOM 0 HD3 ARG B 54 3.870 5.390 -8.355 1.00 0.00 H new ATOM 0 HE ARG B 54 4.839 8.137 -8.180 1.00 0.00 H new ATOM 0 HH11 ARG B 54 1.988 6.145 -8.744 1.00 0.00 H new ATOM 0 HH12 ARG B 54 0.874 7.314 -8.028 1.00 0.00 H new ATOM 0 HH21 ARG B 54 3.401 9.632 -7.212 1.00 0.00 H new ATOM 0 HH22 ARG B 54 1.671 9.280 -7.164 1.00 0.00 H new ATOM 1542 N ASN B 55 8.524 3.471 -10.435 1.00 0.00 N ATOM 1543 CA ASN B 55 9.927 3.434 -10.834 1.00 0.00 C ATOM 1544 C ASN B 55 10.744 2.521 -9.917 1.00 0.00 C ATOM 1545 O ASN B 55 11.311 1.525 -10.372 1.00 0.00 O ATOM 1546 CB ASN B 55 10.545 4.847 -10.887 1.00 0.00 C ATOM 1547 CG ASN B 55 10.162 5.751 -9.722 1.00 0.00 C ATOM 1548 OD1 ASN B 55 9.905 5.299 -8.607 1.00 0.00 O ATOM 1549 ND2 ASN B 55 10.120 7.046 -9.978 1.00 0.00 N ATOM 0 H ASN B 55 8.324 2.974 -9.567 1.00 0.00 H new ATOM 0 HA ASN B 55 9.960 3.020 -11.842 1.00 0.00 H new ATOM 0 HB2 ASN B 55 11.631 4.754 -10.916 1.00 0.00 H new ATOM 0 HB3 ASN B 55 10.242 5.327 -11.817 1.00 0.00 H new ATOM 0 HD21 ASN B 55 9.869 7.704 -9.240 1.00 0.00 H new ATOM 0 HD22 ASN B 55 10.339 7.388 -10.914 1.00 0.00 H new ATOM 1556 N GLY B 56 10.794 2.854 -8.635 1.00 0.00 N ATOM 1557 CA GLY B 56 11.553 2.068 -7.686 1.00 0.00 C ATOM 1558 C GLY B 56 13.047 2.238 -7.866 1.00 0.00 C ATOM 1559 O GLY B 56 13.793 1.271 -7.616 1.00 0.00 O ATOM 1560 OXT GLY B 56 13.483 3.344 -8.251 1.00 0.00 O ATOM 0 H GLY B 56 10.318 3.662 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY B 56 11.276 2.358 -6.673 1.00 0.00 H new ATOM 0 HA3 GLY B 56 11.293 1.015 -7.798 1.00 0.00 H new TER 1564 GLY B 56