USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 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 41 SER OG : rot 77:sc= 0.325 USER MOD Set 1.2: A 57 CYS SG : rot -61:sc= -0.633! USER MOD Set 2.1: A 8 ASN : amide:sc= -0.109 K(o=-2.7,f=-3.7) USER MOD Set 2.2: A 19 GLN : amide:sc= -1.63 K(o=-2.7,f=-4.6!) USER MOD Set 2.3: A 25 TYR OH : rot -140:sc= -0.957! USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -0.0111 (180deg=-0.223) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0122 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.0197 (180deg=-0.509) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 124:sc= -1.15 USER MOD Single : A 32 SER OG : rot -24:sc= 0.685 USER MOD Single : A 37 GLN :FLIP amide:sc= -10.1! C(o=-13!,f=-10!) USER MOD Single : A 40 TYR OH : rot 165:sc=-0.00882 USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0.616 (180deg=0.49) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 54 LYS NZ :NH3+ -131:sc= -0.057 (180deg=-1.81!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= -4.17! (180deg=-6.24!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -15.615 9.782 14.018 1.00 0.00 N ATOM 2 CA GLU A 3 -15.322 11.125 13.445 1.00 0.00 C ATOM 3 C GLU A 3 -13.938 11.113 12.786 1.00 0.00 C ATOM 4 O GLU A 3 -13.016 11.766 13.233 1.00 0.00 O ATOM 5 CB GLU A 3 -15.355 12.173 14.561 1.00 0.00 C ATOM 6 CG GLU A 3 -14.621 11.637 15.794 1.00 0.00 C ATOM 7 CD GLU A 3 -15.533 10.691 16.585 1.00 0.00 C ATOM 8 OE1 GLU A 3 -16.684 10.551 16.207 1.00 0.00 O ATOM 9 OE2 GLU A 3 -15.064 10.122 17.558 1.00 0.00 O ATOM 0 HA GLU A 3 -16.073 11.372 12.695 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.887 13.096 14.220 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.387 12.414 14.816 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.717 11.110 15.488 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.307 12.466 16.428 1.00 0.00 H new ATOM 16 N LYS A 4 -13.790 10.374 11.719 1.00 0.00 N ATOM 17 CA LYS A 4 -12.475 10.310 11.013 1.00 0.00 C ATOM 18 C LYS A 4 -12.721 10.019 9.533 1.00 0.00 C ATOM 19 O LYS A 4 -13.830 10.108 9.047 1.00 0.00 O ATOM 20 CB LYS A 4 -11.612 9.187 11.612 1.00 0.00 C ATOM 21 CG LYS A 4 -10.911 9.679 12.881 1.00 0.00 C ATOM 22 CD LYS A 4 -9.949 8.597 13.377 1.00 0.00 C ATOM 23 CE LYS A 4 -9.046 9.174 14.464 1.00 0.00 C ATOM 24 NZ LYS A 4 -9.878 9.605 15.625 1.00 0.00 N ATOM 0 H LYS A 4 -14.529 9.807 11.302 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.955 11.261 11.128 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.235 8.323 11.844 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.871 8.859 10.883 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.366 10.600 12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.647 9.909 13.651 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.510 7.749 13.769 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.346 8.225 12.549 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.319 8.427 14.782 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.483 10.021 14.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.262 9.806 16.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.409 10.463 15.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.544 8.847 15.875 1.00 0.00 H new ATOM 38 N ARG A 5 -11.687 9.672 8.815 1.00 0.00 N ATOM 39 CA ARG A 5 -11.838 9.365 7.366 1.00 0.00 C ATOM 40 C ARG A 5 -12.044 7.860 7.182 1.00 0.00 C ATOM 41 O ARG A 5 -11.385 7.052 7.804 1.00 0.00 O ATOM 42 CB ARG A 5 -10.573 9.804 6.616 1.00 0.00 C ATOM 43 CG ARG A 5 -10.475 11.348 6.562 1.00 0.00 C ATOM 44 CD ARG A 5 -9.709 11.883 7.780 1.00 0.00 C ATOM 45 NE ARG A 5 -9.967 13.356 7.938 1.00 0.00 N ATOM 46 CZ ARG A 5 -9.765 14.204 6.957 1.00 0.00 C ATOM 47 NH1 ARG A 5 -9.145 13.835 5.871 1.00 0.00 N ATOM 48 NH2 ARG A 5 -10.127 15.449 7.097 1.00 0.00 N ATOM 0 H ARG A 5 -10.736 9.588 9.175 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.700 9.901 6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.691 9.396 7.110 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.586 9.400 5.604 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.971 11.654 5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.475 11.781 6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.021 11.352 8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.641 11.703 7.657 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.309 13.706 8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.810 12.876 5.776 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.995 14.505 5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.564 15.758 7.965 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.973 16.113 6.338 1.00 0.00 H new ATOM 62 N ARG A 6 -12.959 7.481 6.325 1.00 0.00 N ATOM 63 CA ARG A 6 -13.223 6.024 6.084 1.00 0.00 C ATOM 64 C ARG A 6 -13.426 5.774 4.591 1.00 0.00 C ATOM 65 O ARG A 6 -13.731 6.675 3.834 1.00 0.00 O ATOM 66 CB ARG A 6 -14.485 5.594 6.837 1.00 0.00 C ATOM 67 CG ARG A 6 -14.274 5.803 8.336 1.00 0.00 C ATOM 68 CD ARG A 6 -15.313 5.006 9.131 1.00 0.00 C ATOM 69 NE ARG A 6 -15.422 5.576 10.502 1.00 0.00 N ATOM 70 CZ ARG A 6 -16.417 5.239 11.276 1.00 0.00 C ATOM 71 NH1 ARG A 6 -17.323 4.400 10.851 1.00 0.00 N ATOM 72 NH2 ARG A 6 -16.500 5.737 12.477 1.00 0.00 N ATOM 0 H ARG A 6 -13.538 8.119 5.779 1.00 0.00 H new ATOM 0 HA ARG A 6 -12.369 5.448 6.440 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.342 6.174 6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.706 4.547 6.632 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -13.269 5.487 8.617 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.354 6.863 8.578 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.280 5.045 8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.023 3.957 9.182 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.717 6.232 10.837 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.254 4.007 9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.100 4.138 11.458 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -15.789 6.388 12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.276 5.476 13.085 1.00 0.00 H new ATOM 86 N ASP A 7 -13.263 4.549 4.163 1.00 0.00 N ATOM 87 CA ASP A 7 -13.450 4.228 2.719 1.00 0.00 C ATOM 88 C ASP A 7 -14.922 3.884 2.473 1.00 0.00 C ATOM 89 O ASP A 7 -15.771 4.106 3.315 1.00 0.00 O ATOM 90 CB ASP A 7 -12.559 3.040 2.328 1.00 0.00 C ATOM 91 CG ASP A 7 -13.121 1.742 2.910 1.00 0.00 C ATOM 92 OD1 ASP A 7 -13.444 1.731 4.087 1.00 0.00 O ATOM 93 OD2 ASP A 7 -13.223 0.783 2.165 1.00 0.00 O ATOM 0 H ASP A 7 -13.008 3.757 4.753 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.169 5.088 2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.498 2.964 1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.545 3.201 2.693 1.00 0.00 H new ATOM 98 N ASN A 8 -15.233 3.354 1.326 1.00 0.00 N ATOM 99 CA ASN A 8 -16.653 3.011 1.028 1.00 0.00 C ATOM 100 C ASN A 8 -17.131 1.868 1.931 1.00 0.00 C ATOM 101 O ASN A 8 -18.310 1.579 1.991 1.00 0.00 O ATOM 102 CB ASN A 8 -16.777 2.585 -0.434 1.00 0.00 C ATOM 103 CG ASN A 8 -16.289 3.719 -1.335 1.00 0.00 C ATOM 104 OD1 ASN A 8 -16.364 4.875 -0.970 1.00 0.00 O ATOM 105 ND2 ASN A 8 -15.784 3.435 -2.504 1.00 0.00 N ATOM 0 H ASN A 8 -14.568 3.143 0.582 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.271 3.889 1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.189 1.685 -0.613 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.814 2.341 -0.667 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.452 4.184 -3.112 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.721 2.464 -2.810 1.00 0.00 H new ATOM 112 N ARG A 9 -16.238 1.205 2.628 1.00 0.00 N ATOM 113 CA ARG A 9 -16.656 0.073 3.516 1.00 0.00 C ATOM 114 C ARG A 9 -16.727 0.547 4.975 1.00 0.00 C ATOM 115 O ARG A 9 -17.802 0.728 5.511 1.00 0.00 O ATOM 116 CB ARG A 9 -15.649 -1.068 3.361 1.00 0.00 C ATOM 117 CG ARG A 9 -15.940 -1.841 2.063 1.00 0.00 C ATOM 118 CD ARG A 9 -14.826 -2.880 1.783 1.00 0.00 C ATOM 119 NE ARG A 9 -14.185 -2.598 0.456 1.00 0.00 N ATOM 120 CZ ARG A 9 -14.898 -2.462 -0.634 1.00 0.00 C ATOM 121 NH1 ARG A 9 -16.190 -2.650 -0.603 1.00 0.00 N ATOM 122 NH2 ARG A 9 -14.315 -2.143 -1.758 1.00 0.00 N ATOM 0 H ARG A 9 -15.237 1.399 2.620 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.647 -0.281 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.634 -0.670 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.710 -1.739 4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.903 -2.345 2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.013 -1.145 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.076 -2.844 2.573 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.246 -3.886 1.787 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.170 -2.510 0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.648 -2.904 0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.742 -2.543 -1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.305 -2.000 -1.786 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.869 -2.037 -2.608 1.00 0.00 H new ATOM 136 N GLY A 10 -15.613 0.768 5.634 1.00 0.00 N ATOM 137 CA GLY A 10 -15.706 1.246 7.054 1.00 0.00 C ATOM 138 C GLY A 10 -14.389 1.075 7.835 1.00 0.00 C ATOM 139 O GLY A 10 -14.323 1.418 8.998 1.00 0.00 O ATOM 0 H GLY A 10 -14.670 0.643 5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -15.991 2.298 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -16.498 0.699 7.565 1.00 0.00 H new ATOM 143 N ARG A 11 -13.336 0.572 7.241 1.00 0.00 N ATOM 144 CA ARG A 11 -12.062 0.429 8.024 1.00 0.00 C ATOM 145 C ARG A 11 -11.306 1.758 7.984 1.00 0.00 C ATOM 146 O ARG A 11 -10.862 2.192 6.940 1.00 0.00 O ATOM 147 CB ARG A 11 -11.180 -0.669 7.406 1.00 0.00 C ATOM 148 CG ARG A 11 -11.875 -2.045 7.538 1.00 0.00 C ATOM 149 CD ARG A 11 -11.431 -3.020 6.422 1.00 0.00 C ATOM 150 NE ARG A 11 -11.413 -2.361 5.071 1.00 0.00 N ATOM 151 CZ ARG A 11 -12.403 -1.623 4.649 1.00 0.00 C ATOM 152 NH1 ARG A 11 -13.553 -1.649 5.257 1.00 0.00 N ATOM 153 NH2 ARG A 11 -12.252 -0.920 3.559 1.00 0.00 N ATOM 0 H ARG A 11 -13.298 0.260 6.271 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.300 0.158 9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.992 -0.447 6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.211 -0.693 7.905 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.644 -2.477 8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.956 -1.912 7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.437 -3.404 6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.106 -3.876 6.399 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.603 -2.495 4.466 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.686 -2.250 6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.321 -1.069 4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.369 -0.952 3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.017 -0.339 3.217 1.00 0.00 H new ATOM 167 N ILE A 12 -11.150 2.414 9.107 1.00 0.00 N ATOM 168 CA ILE A 12 -10.417 3.712 9.095 1.00 0.00 C ATOM 169 C ILE A 12 -9.010 3.467 8.557 1.00 0.00 C ATOM 170 O ILE A 12 -8.206 2.791 9.167 1.00 0.00 O ATOM 171 CB ILE A 12 -10.337 4.296 10.512 1.00 0.00 C ATOM 172 CG1 ILE A 12 -11.746 4.641 11.006 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.489 5.571 10.490 1.00 0.00 C ATOM 174 CD1 ILE A 12 -11.720 4.910 12.508 1.00 0.00 C ATOM 0 H ILE A 12 -11.494 2.111 10.018 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.945 4.424 8.461 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.884 3.562 11.179 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.121 5.517 10.478 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.429 3.820 10.787 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.431 5.987 11.496 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.485 5.334 10.137 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.946 6.300 9.821 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.725 5.154 12.851 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.364 4.022 13.031 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.052 5.746 12.716 1.00 0.00 H new ATOM 186 N LEU A 13 -8.713 4.003 7.405 1.00 0.00 N ATOM 187 CA LEU A 13 -7.365 3.797 6.800 1.00 0.00 C ATOM 188 C LEU A 13 -6.426 4.935 7.227 1.00 0.00 C ATOM 189 O LEU A 13 -6.844 5.913 7.814 1.00 0.00 O ATOM 190 CB LEU A 13 -7.507 3.743 5.271 1.00 0.00 C ATOM 191 CG LEU A 13 -8.602 4.706 4.793 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.304 6.129 5.280 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.651 4.681 3.263 1.00 0.00 C ATOM 0 H LEU A 13 -9.349 4.578 6.853 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.936 2.857 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.557 4.003 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.748 2.727 4.959 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.564 4.394 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.088 6.803 4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.269 6.141 6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.343 6.456 4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.426 5.362 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.686 4.993 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.875 3.670 2.923 1.00 0.00 H new ATOM 205 N LYS A 14 -5.151 4.801 6.960 1.00 0.00 N ATOM 206 CA LYS A 14 -4.180 5.861 7.375 1.00 0.00 C ATOM 207 C LYS A 14 -4.031 6.924 6.289 1.00 0.00 C ATOM 208 O LYS A 14 -4.675 6.895 5.262 1.00 0.00 O ATOM 209 CB LYS A 14 -2.809 5.241 7.628 1.00 0.00 C ATOM 210 CG LYS A 14 -2.925 4.111 8.658 1.00 0.00 C ATOM 211 CD LYS A 14 -3.423 4.672 10.010 1.00 0.00 C ATOM 212 CE LYS A 14 -2.783 3.903 11.172 1.00 0.00 C ATOM 213 NZ LYS A 14 -3.366 4.377 12.462 1.00 0.00 N ATOM 0 H LYS A 14 -4.740 4.004 6.473 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.564 6.324 8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.399 4.853 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.117 6.003 7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.614 3.348 8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.957 3.629 8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.176 5.731 10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.509 4.593 10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.956 2.833 11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.703 4.053 11.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.933 3.856 13.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.179 5.394 12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.393 4.212 12.460 1.00 0.00 H new ATOM 227 N THR A 15 -3.163 7.861 6.532 1.00 0.00 N ATOM 228 CA THR A 15 -2.911 8.959 5.548 1.00 0.00 C ATOM 229 C THR A 15 -2.497 8.377 4.193 1.00 0.00 C ATOM 230 O THR A 15 -1.933 7.304 4.111 1.00 0.00 O ATOM 231 CB THR A 15 -1.788 9.865 6.068 1.00 0.00 C ATOM 232 OG1 THR A 15 -1.426 10.793 5.054 1.00 0.00 O ATOM 233 CG2 THR A 15 -0.571 9.014 6.443 1.00 0.00 C ATOM 0 H THR A 15 -2.605 7.918 7.384 1.00 0.00 H new ATOM 0 HA THR A 15 -3.828 9.535 5.425 1.00 0.00 H new ATOM 0 HB THR A 15 -2.134 10.404 6.950 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.710 11.375 5.384 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.225 9.660 6.812 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.850 8.302 7.220 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.221 8.473 5.564 1.00 0.00 H new ATOM 241 N GLY A 16 -2.748 9.096 3.131 1.00 0.00 N ATOM 242 CA GLY A 16 -2.340 8.612 1.778 1.00 0.00 C ATOM 243 C GLY A 16 -3.260 7.486 1.304 1.00 0.00 C ATOM 244 O GLY A 16 -3.635 7.429 0.152 1.00 0.00 O ATOM 0 H GLY A 16 -3.219 10.000 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.372 9.437 1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.310 8.257 1.809 1.00 0.00 H new ATOM 248 N GLU A 17 -3.614 6.584 2.170 1.00 0.00 N ATOM 249 CA GLU A 17 -4.496 5.460 1.750 1.00 0.00 C ATOM 250 C GLU A 17 -5.876 6.001 1.341 1.00 0.00 C ATOM 251 O GLU A 17 -6.446 6.847 1.999 1.00 0.00 O ATOM 252 CB GLU A 17 -4.654 4.495 2.923 1.00 0.00 C ATOM 253 CG GLU A 17 -3.381 3.664 3.102 1.00 0.00 C ATOM 254 CD GLU A 17 -3.589 2.661 4.238 1.00 0.00 C ATOM 255 OE1 GLU A 17 -3.751 3.099 5.366 1.00 0.00 O ATOM 256 OE2 GLU A 17 -3.587 1.475 3.960 1.00 0.00 O ATOM 0 H GLU A 17 -3.332 6.574 3.150 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.052 4.944 0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.864 5.053 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.505 3.836 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.142 3.139 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.536 4.315 3.326 1.00 0.00 H new ATOM 263 N SER A 18 -6.415 5.508 0.256 1.00 0.00 N ATOM 264 CA SER A 18 -7.758 5.976 -0.205 1.00 0.00 C ATOM 265 C SER A 18 -8.353 4.914 -1.138 1.00 0.00 C ATOM 266 O SER A 18 -7.626 4.158 -1.754 1.00 0.00 O ATOM 267 CB SER A 18 -7.606 7.303 -0.956 1.00 0.00 C ATOM 268 OG SER A 18 -8.892 7.798 -1.308 1.00 0.00 O ATOM 0 H SER A 18 -5.981 4.798 -0.334 1.00 0.00 H new ATOM 0 HA SER A 18 -8.417 6.127 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.083 8.028 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.002 7.159 -1.852 1.00 0.00 H new ATOM 0 HG SER A 18 -8.796 8.648 -1.787 1.00 0.00 H new ATOM 274 N GLN A 19 -9.665 4.839 -1.252 1.00 0.00 N ATOM 275 CA GLN A 19 -10.291 3.809 -2.153 1.00 0.00 C ATOM 276 C GLN A 19 -10.895 4.481 -3.382 1.00 0.00 C ATOM 277 O GLN A 19 -11.473 5.546 -3.308 1.00 0.00 O ATOM 278 CB GLN A 19 -11.388 3.044 -1.407 1.00 0.00 C ATOM 279 CG GLN A 19 -11.954 1.952 -2.325 1.00 0.00 C ATOM 280 CD GLN A 19 -12.720 0.923 -1.492 1.00 0.00 C ATOM 281 OE1 GLN A 19 -12.304 -0.212 -1.373 1.00 0.00 O ATOM 282 NE2 GLN A 19 -13.831 1.275 -0.911 1.00 0.00 N ATOM 0 H GLN A 19 -10.325 5.443 -0.763 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.514 3.111 -2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.984 2.598 -0.498 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.181 3.727 -1.102 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.615 2.396 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.144 1.464 -2.868 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.179 2.228 -1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.353 0.597 -0.355 1.00 0.00 H new ATOM 291 N ARG A 20 -10.758 3.855 -4.520 1.00 0.00 N ATOM 292 CA ARG A 20 -11.311 4.434 -5.776 1.00 0.00 C ATOM 293 C ARG A 20 -12.781 4.058 -5.921 1.00 0.00 C ATOM 294 O ARG A 20 -13.332 3.327 -5.122 1.00 0.00 O ATOM 295 CB ARG A 20 -10.549 3.868 -6.974 1.00 0.00 C ATOM 296 CG ARG A 20 -9.089 4.305 -6.909 1.00 0.00 C ATOM 297 CD ARG A 20 -8.381 3.903 -8.204 1.00 0.00 C ATOM 298 NE ARG A 20 -8.963 4.663 -9.347 1.00 0.00 N ATOM 299 CZ ARG A 20 -8.336 4.699 -10.491 1.00 0.00 C ATOM 300 NH1 ARG A 20 -7.226 4.029 -10.646 1.00 0.00 N ATOM 301 NH2 ARG A 20 -8.821 5.393 -11.483 1.00 0.00 N ATOM 0 H ARG A 20 -10.282 2.960 -4.633 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.209 5.519 -5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.613 2.780 -6.977 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.002 4.216 -7.902 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.027 5.384 -6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.597 3.842 -6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.313 4.106 -8.125 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.490 2.832 -8.373 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.850 5.154 -9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.850 3.479 -9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.735 4.056 -11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.693 5.910 -11.366 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.329 5.419 -12.376 1.00 0.00 H new ATOM 315 N LYS A 21 -13.412 4.544 -6.949 1.00 0.00 N ATOM 316 CA LYS A 21 -14.841 4.212 -7.174 1.00 0.00 C ATOM 317 C LYS A 21 -14.929 2.747 -7.614 1.00 0.00 C ATOM 318 O LYS A 21 -15.988 2.150 -7.627 1.00 0.00 O ATOM 319 CB LYS A 21 -15.415 5.131 -8.274 1.00 0.00 C ATOM 320 CG LYS A 21 -14.817 6.561 -8.158 1.00 0.00 C ATOM 321 CD LYS A 21 -13.722 6.762 -9.217 1.00 0.00 C ATOM 322 CE LYS A 21 -12.982 8.078 -8.963 1.00 0.00 C ATOM 323 NZ LYS A 21 -13.968 9.177 -8.765 1.00 0.00 N ATOM 0 H LYS A 21 -12.996 5.161 -7.647 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.416 4.360 -6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.191 4.716 -9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.501 5.177 -8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.603 7.304 -8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.402 6.710 -7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.020 5.929 -9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.165 6.771 -10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.345 7.985 -8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.330 8.308 -9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.500 10.094 -8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.747 9.071 -9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.346 9.134 -7.797 1.00 0.00 H new ATOM 337 N ASP A 22 -13.813 2.172 -7.990 1.00 0.00 N ATOM 338 CA ASP A 22 -13.809 0.752 -8.450 1.00 0.00 C ATOM 339 C ASP A 22 -13.631 -0.184 -7.248 1.00 0.00 C ATOM 340 O ASP A 22 -13.974 -1.348 -7.307 1.00 0.00 O ATOM 341 CB ASP A 22 -12.650 0.562 -9.429 1.00 0.00 C ATOM 342 CG ASP A 22 -12.836 1.505 -10.620 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.968 1.687 -11.038 1.00 0.00 O ATOM 344 OD2 ASP A 22 -11.842 2.037 -11.090 1.00 0.00 O ATOM 0 H ASP A 22 -12.901 2.629 -7.997 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.754 0.517 -8.940 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.702 0.767 -8.932 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.613 -0.472 -9.771 1.00 0.00 H new ATOM 349 N GLY A 23 -13.120 0.321 -6.147 1.00 0.00 N ATOM 350 CA GLY A 23 -12.942 -0.527 -4.921 1.00 0.00 C ATOM 351 C GLY A 23 -11.457 -0.793 -4.641 1.00 0.00 C ATOM 352 O GLY A 23 -11.063 -0.964 -3.505 1.00 0.00 O ATOM 0 H GLY A 23 -12.817 1.290 -6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.393 -0.029 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.465 -1.474 -5.052 1.00 0.00 H new ATOM 356 N ARG A 24 -10.626 -0.844 -5.646 1.00 0.00 N ATOM 357 CA ARG A 24 -9.184 -1.111 -5.380 1.00 0.00 C ATOM 358 C ARG A 24 -8.596 0.025 -4.544 1.00 0.00 C ATOM 359 O ARG A 24 -8.909 1.182 -4.740 1.00 0.00 O ATOM 360 CB ARG A 24 -8.415 -1.236 -6.696 1.00 0.00 C ATOM 361 CG ARG A 24 -8.817 -0.112 -7.639 1.00 0.00 C ATOM 362 CD ARG A 24 -7.883 -0.122 -8.847 1.00 0.00 C ATOM 363 NE ARG A 24 -7.915 -1.470 -9.480 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.454 -1.640 -10.688 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.966 -0.628 -11.350 1.00 0.00 N ATOM 366 NH2 ARG A 24 -7.478 -2.825 -11.236 1.00 0.00 N ATOM 0 H ARG A 24 -10.878 -0.714 -6.626 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.095 -2.049 -4.831 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.342 -1.197 -6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.622 -2.201 -7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.850 -0.241 -7.961 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.760 0.848 -7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.190 0.638 -9.566 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.867 0.124 -8.538 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.299 -2.263 -8.967 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.944 0.298 -10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.606 -0.763 -12.295 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.857 -3.618 -10.719 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.117 -2.957 -12.181 1.00 0.00 H new ATOM 380 N TYR A 25 -7.747 -0.302 -3.607 1.00 0.00 N ATOM 381 CA TYR A 25 -7.137 0.748 -2.747 1.00 0.00 C ATOM 382 C TYR A 25 -5.909 1.336 -3.438 1.00 0.00 C ATOM 383 O TYR A 25 -5.433 0.825 -4.435 1.00 0.00 O ATOM 384 CB TYR A 25 -6.734 0.144 -1.408 1.00 0.00 C ATOM 385 CG TYR A 25 -7.974 -0.318 -0.678 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.805 0.618 -0.047 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.297 -1.679 -0.636 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.958 0.190 0.625 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.450 -2.106 0.036 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.280 -1.170 0.666 1.00 0.00 C ATOM 391 OH TYR A 25 -11.417 -1.589 1.324 1.00 0.00 O ATOM 0 H TYR A 25 -7.450 -1.256 -3.401 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.866 1.541 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.055 -0.695 -1.563 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.198 0.881 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.557 1.669 -0.079 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.657 -2.401 -1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.598 0.911 1.111 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.699 -3.156 0.068 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.227 -2.418 1.810 1.00 0.00 H new ATOM 401 N LEU A 26 -5.407 2.420 -2.915 1.00 0.00 N ATOM 402 CA LEU A 26 -4.221 3.082 -3.525 1.00 0.00 C ATOM 403 C LEU A 26 -3.422 3.806 -2.438 1.00 0.00 C ATOM 404 O LEU A 26 -3.947 4.614 -1.697 1.00 0.00 O ATOM 405 CB LEU A 26 -4.725 4.087 -4.580 1.00 0.00 C ATOM 406 CG LEU A 26 -3.639 5.110 -4.960 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.359 4.396 -5.435 1.00 0.00 C ATOM 408 CD2 LEU A 26 -4.187 6.006 -6.079 1.00 0.00 C ATOM 0 H LEU A 26 -5.773 2.880 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.570 2.346 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.045 3.548 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.599 4.611 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.383 5.711 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.605 5.138 -5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.979 3.760 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.586 3.784 -6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.431 6.738 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.441 5.393 -6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.079 6.524 -5.727 1.00 0.00 H new ATOM 420 N TYR A 27 -2.147 3.537 -2.363 1.00 0.00 N ATOM 421 CA TYR A 27 -1.270 4.214 -1.364 1.00 0.00 C ATOM 422 C TYR A 27 -0.025 4.712 -2.099 1.00 0.00 C ATOM 423 O TYR A 27 0.317 4.216 -3.152 1.00 0.00 O ATOM 424 CB TYR A 27 -0.872 3.234 -0.263 1.00 0.00 C ATOM 425 CG TYR A 27 0.055 3.930 0.707 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.443 4.928 1.551 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.408 3.572 0.767 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.410 5.566 2.457 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.260 4.212 1.671 1.00 0.00 C ATOM 430 CZ TYR A 27 1.762 5.206 2.517 1.00 0.00 C ATOM 431 OH TYR A 27 2.603 5.832 3.413 1.00 0.00 O ATOM 0 H TYR A 27 -1.668 2.865 -2.962 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.797 5.047 -0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.759 2.873 0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.379 2.363 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.486 5.206 1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.792 2.802 0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.026 6.336 3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.304 3.938 1.716 1.00 0.00 H new ATOM 0 HH TYR A 27 3.507 5.463 3.326 1.00 0.00 H new ATOM 441 N LYS A 28 0.633 5.707 -1.569 1.00 0.00 N ATOM 442 CA LYS A 28 1.842 6.279 -2.243 1.00 0.00 C ATOM 443 C LYS A 28 3.020 6.309 -1.262 1.00 0.00 C ATOM 444 O LYS A 28 2.855 6.574 -0.088 1.00 0.00 O ATOM 445 CB LYS A 28 1.512 7.714 -2.659 1.00 0.00 C ATOM 446 CG LYS A 28 2.670 8.321 -3.472 1.00 0.00 C ATOM 447 CD LYS A 28 2.476 9.856 -3.638 1.00 0.00 C ATOM 448 CE LYS A 28 3.792 10.585 -3.344 1.00 0.00 C ATOM 449 NZ LYS A 28 3.648 12.031 -3.672 1.00 0.00 N ATOM 0 H LYS A 28 0.384 6.156 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 28 2.111 5.671 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.598 7.725 -3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.324 8.321 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.617 8.121 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.721 7.847 -4.452 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.144 10.082 -4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.697 10.208 -2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.059 10.465 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.600 10.148 -3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.542 12.523 -3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.413 12.137 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.888 12.444 -3.094 1.00 0.00 H new ATOM 463 N TYR A 29 4.216 6.072 -1.743 1.00 0.00 N ATOM 464 CA TYR A 29 5.413 6.125 -0.847 1.00 0.00 C ATOM 465 C TYR A 29 6.602 6.683 -1.643 1.00 0.00 C ATOM 466 O TYR A 29 6.591 6.698 -2.858 1.00 0.00 O ATOM 467 CB TYR A 29 5.732 4.723 -0.298 1.00 0.00 C ATOM 468 CG TYR A 29 6.448 3.878 -1.331 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.740 3.345 -2.413 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.819 3.616 -1.196 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.401 2.555 -3.359 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.476 2.827 -2.140 1.00 0.00 C ATOM 473 CZ TYR A 29 7.769 2.295 -3.223 1.00 0.00 C ATOM 474 OH TYR A 29 8.421 1.515 -4.154 1.00 0.00 O ATOM 0 H TYR A 29 4.415 5.844 -2.717 1.00 0.00 H new ATOM 0 HA TYR A 29 5.210 6.777 0.003 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.351 4.812 0.595 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.808 4.229 0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.684 3.543 -2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.367 4.026 -0.360 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.855 2.145 -4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.532 2.627 -2.034 1.00 0.00 H new ATOM 0 HH TYR A 29 9.175 2.016 -4.530 1.00 0.00 H new ATOM 484 N ILE A 30 7.621 7.147 -0.965 1.00 0.00 N ATOM 485 CA ILE A 30 8.819 7.716 -1.667 1.00 0.00 C ATOM 486 C ILE A 30 9.949 6.684 -1.634 1.00 0.00 C ATOM 487 O ILE A 30 10.208 6.063 -0.621 1.00 0.00 O ATOM 488 CB ILE A 30 9.254 9.024 -0.966 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.361 10.189 -1.426 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.713 9.361 -1.307 1.00 0.00 C ATOM 491 CD1 ILE A 30 6.884 9.816 -1.311 1.00 0.00 C ATOM 0 H ILE A 30 7.678 7.157 0.053 1.00 0.00 H new ATOM 0 HA ILE A 30 8.576 7.944 -2.705 1.00 0.00 H new ATOM 0 HB ILE A 30 9.157 8.879 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.566 11.072 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.596 10.448 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.000 10.285 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.361 8.550 -0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.815 9.488 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.270 10.654 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.678 8.947 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.648 9.580 -0.273 1.00 0.00 H new ATOM 503 N ASP A 31 10.624 6.496 -2.736 1.00 0.00 N ATOM 504 CA ASP A 31 11.733 5.508 -2.769 1.00 0.00 C ATOM 505 C ASP A 31 12.992 6.148 -2.192 1.00 0.00 C ATOM 506 O ASP A 31 13.024 7.324 -1.891 1.00 0.00 O ATOM 507 CB ASP A 31 11.998 5.073 -4.212 1.00 0.00 C ATOM 508 CG ASP A 31 10.738 4.441 -4.801 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.847 4.122 -4.034 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.689 4.282 -6.009 1.00 0.00 O ATOM 0 H ASP A 31 10.453 6.986 -3.614 1.00 0.00 H new ATOM 0 HA ASP A 31 11.458 4.635 -2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.299 5.932 -4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.822 4.360 -4.241 1.00 0.00 H new ATOM 515 N SER A 32 14.030 5.381 -2.041 1.00 0.00 N ATOM 516 CA SER A 32 15.299 5.928 -1.490 1.00 0.00 C ATOM 517 C SER A 32 15.876 6.951 -2.467 1.00 0.00 C ATOM 518 O SER A 32 16.885 7.571 -2.204 1.00 0.00 O ATOM 519 CB SER A 32 16.295 4.787 -1.293 1.00 0.00 C ATOM 520 OG SER A 32 17.521 5.313 -0.800 1.00 0.00 O ATOM 0 H SER A 32 14.056 4.389 -2.277 1.00 0.00 H new ATOM 0 HA SER A 32 15.107 6.412 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.893 4.055 -0.593 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.462 4.268 -2.237 1.00 0.00 H new ATOM 0 HG SER A 32 17.594 6.259 -1.047 1.00 0.00 H new ATOM 526 N PHE A 33 15.248 7.127 -3.601 1.00 0.00 N ATOM 527 CA PHE A 33 15.768 8.103 -4.604 1.00 0.00 C ATOM 528 C PHE A 33 15.023 9.429 -4.438 1.00 0.00 C ATOM 529 O PHE A 33 15.410 10.443 -4.982 1.00 0.00 O ATOM 530 CB PHE A 33 15.534 7.548 -6.012 1.00 0.00 C ATOM 531 CG PHE A 33 16.242 6.221 -6.152 1.00 0.00 C ATOM 532 CD1 PHE A 33 15.659 5.066 -5.626 1.00 0.00 C ATOM 533 CD2 PHE A 33 17.476 6.142 -6.810 1.00 0.00 C ATOM 534 CE1 PHE A 33 16.300 3.830 -5.751 1.00 0.00 C ATOM 535 CE2 PHE A 33 18.121 4.904 -6.938 1.00 0.00 C ATOM 536 CZ PHE A 33 17.533 3.749 -6.407 1.00 0.00 C ATOM 0 H PHE A 33 14.397 6.636 -3.876 1.00 0.00 H new ATOM 0 HA PHE A 33 16.835 8.264 -4.454 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.466 7.424 -6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.904 8.251 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.707 5.128 -5.120 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.930 7.033 -7.218 1.00 0.00 H new ATOM 0 HE1 PHE A 33 15.845 2.940 -5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 33 19.072 4.841 -7.446 1.00 0.00 H new ATOM 0 HZ PHE A 33 18.031 2.796 -6.504 1.00 0.00 H new ATOM 546 N GLY A 34 13.963 9.429 -3.670 1.00 0.00 N ATOM 547 CA GLY A 34 13.196 10.688 -3.439 1.00 0.00 C ATOM 548 C GLY A 34 12.067 10.797 -4.457 1.00 0.00 C ATOM 549 O GLY A 34 11.245 11.689 -4.392 1.00 0.00 O ATOM 0 H GLY A 34 13.595 8.607 -3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.789 10.697 -2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.859 11.549 -3.523 1.00 0.00 H new ATOM 553 N GLU A 35 12.017 9.901 -5.402 1.00 0.00 N ATOM 554 CA GLU A 35 10.935 9.966 -6.423 1.00 0.00 C ATOM 555 C GLU A 35 9.680 9.265 -5.877 1.00 0.00 C ATOM 556 O GLU A 35 9.781 8.351 -5.082 1.00 0.00 O ATOM 557 CB GLU A 35 11.419 9.280 -7.701 1.00 0.00 C ATOM 558 CG GLU A 35 11.665 7.799 -7.424 1.00 0.00 C ATOM 559 CD GLU A 35 12.477 7.188 -8.568 1.00 0.00 C ATOM 560 OE1 GLU A 35 12.109 7.405 -9.711 1.00 0.00 O ATOM 561 OE2 GLU A 35 13.452 6.512 -8.283 1.00 0.00 O ATOM 0 H GLU A 35 12.675 9.130 -5.512 1.00 0.00 H new ATOM 0 HA GLU A 35 10.687 11.003 -6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.677 9.394 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.336 9.752 -8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.199 7.679 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.714 7.276 -7.320 1.00 0.00 H new ATOM 568 N PRO A 36 8.503 9.695 -6.275 1.00 0.00 N ATOM 569 CA PRO A 36 7.221 9.100 -5.787 1.00 0.00 C ATOM 570 C PRO A 36 6.805 7.830 -6.541 1.00 0.00 C ATOM 571 O PRO A 36 6.842 7.777 -7.753 1.00 0.00 O ATOM 572 CB PRO A 36 6.223 10.218 -6.069 1.00 0.00 C ATOM 573 CG PRO A 36 6.710 10.798 -7.350 1.00 0.00 C ATOM 574 CD PRO A 36 8.236 10.797 -7.232 1.00 0.00 C ATOM 0 HA PRO A 36 7.292 8.785 -4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.206 9.836 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.213 10.959 -5.270 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.380 10.204 -8.202 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.326 11.808 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.714 10.618 -8.195 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.612 11.751 -6.862 1.00 0.00 H new ATOM 582 N GLN A 37 6.360 6.830 -5.821 1.00 0.00 N ATOM 583 CA GLN A 37 5.878 5.564 -6.461 1.00 0.00 C ATOM 584 C GLN A 37 4.464 5.303 -5.945 1.00 0.00 C ATOM 585 O GLN A 37 4.040 5.893 -4.971 1.00 0.00 O ATOM 586 CB GLN A 37 6.791 4.380 -6.080 1.00 0.00 C ATOM 587 CG GLN A 37 7.903 4.215 -7.117 1.00 0.00 C ATOM 588 CD GLN A 37 8.703 5.507 -7.210 1.00 0.00 C ATOM 589 OE1 GLN A 37 8.891 6.222 -6.132 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 9.158 5.871 -8.274 1.00 0.00 N flip ATOM 0 H GLN A 37 6.309 6.836 -4.802 1.00 0.00 H new ATOM 0 HA GLN A 37 5.891 5.664 -7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.225 4.549 -5.094 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.204 3.464 -6.017 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.557 3.389 -6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.475 3.968 -8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.008 5.309 -9.112 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.691 6.739 -8.331 1.00 0.00 H new ATOM 599 N PHE A 38 3.730 4.431 -6.582 1.00 0.00 N ATOM 600 CA PHE A 38 2.338 4.137 -6.121 1.00 0.00 C ATOM 601 C PHE A 38 2.118 2.629 -6.080 1.00 0.00 C ATOM 602 O PHE A 38 2.679 1.886 -6.859 1.00 0.00 O ATOM 603 CB PHE A 38 1.339 4.740 -7.103 1.00 0.00 C ATOM 604 CG PHE A 38 1.551 6.227 -7.220 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.489 6.729 -8.128 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.798 7.106 -6.432 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.677 8.109 -8.250 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.987 8.487 -6.552 1.00 0.00 C ATOM 609 CZ PHE A 38 1.927 8.990 -7.461 1.00 0.00 C ATOM 0 H PHE A 38 4.033 3.908 -7.403 1.00 0.00 H new ATOM 0 HA PHE A 38 2.197 4.563 -5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.453 4.272 -8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.322 4.536 -6.768 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.069 6.050 -8.736 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.072 6.718 -5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.400 8.496 -8.953 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.408 9.166 -5.944 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.073 10.056 -7.553 1.00 0.00 H new ATOM 619 N VAL A 39 1.286 2.180 -5.178 1.00 0.00 N ATOM 620 CA VAL A 39 0.983 0.726 -5.061 1.00 0.00 C ATOM 621 C VAL A 39 -0.540 0.555 -5.037 1.00 0.00 C ATOM 622 O VAL A 39 -1.254 1.362 -4.474 1.00 0.00 O ATOM 623 CB VAL A 39 1.602 0.190 -3.763 1.00 0.00 C ATOM 624 CG1 VAL A 39 3.068 -0.189 -4.009 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.535 1.273 -2.679 1.00 0.00 C ATOM 0 H VAL A 39 0.796 2.771 -4.507 1.00 0.00 H new ATOM 0 HA VAL A 39 1.399 0.172 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 39 1.048 -0.690 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.505 -0.569 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.121 -0.958 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.621 0.691 -4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.975 0.893 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.088 2.153 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.495 1.545 -2.500 1.00 0.00 H new ATOM 635 N TYR A 40 -1.038 -0.484 -5.659 1.00 0.00 N ATOM 636 CA TYR A 40 -2.516 -0.723 -5.701 1.00 0.00 C ATOM 637 C TYR A 40 -2.824 -2.138 -5.224 1.00 0.00 C ATOM 638 O TYR A 40 -1.994 -3.022 -5.288 1.00 0.00 O ATOM 639 CB TYR A 40 -3.010 -0.591 -7.140 1.00 0.00 C ATOM 640 CG TYR A 40 -2.960 0.851 -7.576 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.734 1.447 -7.901 1.00 0.00 C ATOM 642 CD2 TYR A 40 -4.144 1.588 -7.674 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.698 2.780 -8.326 1.00 0.00 C ATOM 644 CE2 TYR A 40 -4.109 2.918 -8.093 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.886 3.518 -8.423 1.00 0.00 C ATOM 646 OH TYR A 40 -2.851 4.832 -8.846 1.00 0.00 O ATOM 0 H TYR A 40 -0.479 -1.185 -6.145 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.009 0.006 -5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.394 -1.200 -7.801 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.030 -0.967 -7.218 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.819 0.879 -7.824 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.088 1.126 -7.425 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.754 3.240 -8.579 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.025 3.486 -8.163 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.755 5.122 -9.087 1.00 0.00 H new ATOM 656 N SER A 41 -4.019 -2.361 -4.766 1.00 0.00 N ATOM 657 CA SER A 41 -4.387 -3.727 -4.309 1.00 0.00 C ATOM 658 C SER A 41 -5.884 -3.785 -4.035 1.00 0.00 C ATOM 659 O SER A 41 -6.500 -2.802 -3.666 1.00 0.00 O ATOM 660 CB SER A 41 -3.628 -4.078 -3.031 1.00 0.00 C ATOM 661 OG SER A 41 -3.943 -5.412 -2.657 1.00 0.00 O ATOM 0 H SER A 41 -4.756 -1.660 -4.688 1.00 0.00 H new ATOM 0 HA SER A 41 -4.125 -4.442 -5.089 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.555 -3.975 -3.190 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.899 -3.389 -2.231 1.00 0.00 H new ATOM 0 HG SER A 41 -3.452 -6.037 -3.230 1.00 0.00 H new ATOM 667 N TRP A 42 -6.471 -4.933 -4.200 1.00 0.00 N ATOM 668 CA TRP A 42 -7.925 -5.081 -3.939 1.00 0.00 C ATOM 669 C TRP A 42 -8.110 -5.456 -2.472 1.00 0.00 C ATOM 670 O TRP A 42 -9.179 -5.845 -2.047 1.00 0.00 O ATOM 671 CB TRP A 42 -8.475 -6.202 -4.826 1.00 0.00 C ATOM 672 CG TRP A 42 -8.678 -5.694 -6.209 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.820 -5.869 -7.234 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.801 -4.935 -6.732 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.338 -5.247 -8.354 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.561 -4.662 -8.095 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.992 -4.459 -6.157 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.470 -3.938 -8.867 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.911 -3.732 -6.928 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.651 -3.472 -8.281 1.00 0.00 C ATOM 0 H TRP A 42 -6.000 -5.784 -4.508 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.453 -4.153 -4.158 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.783 -7.044 -4.836 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.418 -6.569 -4.421 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.884 -6.406 -7.188 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.873 -5.223 -9.262 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.201 -4.654 -5.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.263 -3.739 -9.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.823 -3.371 -6.477 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.362 -2.912 -8.870 1.00 0.00 H new ATOM 691 N LYS A 43 -7.057 -5.356 -1.700 1.00 0.00 N ATOM 692 CA LYS A 43 -7.132 -5.721 -0.254 1.00 0.00 C ATOM 693 C LYS A 43 -6.424 -4.670 0.603 1.00 0.00 C ATOM 694 O LYS A 43 -5.360 -4.190 0.268 1.00 0.00 O ATOM 695 CB LYS A 43 -6.422 -7.058 -0.064 1.00 0.00 C ATOM 696 CG LYS A 43 -7.177 -8.149 -0.820 1.00 0.00 C ATOM 697 CD LYS A 43 -6.632 -9.525 -0.423 1.00 0.00 C ATOM 698 CE LYS A 43 -5.188 -9.675 -0.908 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.806 -11.114 -0.872 1.00 0.00 N ATOM 0 H LYS A 43 -6.141 -5.034 -2.013 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.177 -5.780 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.397 -6.992 -0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.369 -7.306 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.242 -8.090 -0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.070 -8.001 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.675 -9.644 0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.253 -10.310 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.090 -9.286 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.517 -9.092 -0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.903 -11.246 -1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.705 -11.422 0.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.544 -11.681 -1.337 1.00 0.00 H new ATOM 713 N LEU A 44 -6.994 -4.342 1.732 1.00 0.00 N ATOM 714 CA LEU A 44 -6.349 -3.363 2.652 1.00 0.00 C ATOM 715 C LEU A 44 -5.505 -4.162 3.639 1.00 0.00 C ATOM 716 O LEU A 44 -4.405 -3.788 3.995 1.00 0.00 O ATOM 717 CB LEU A 44 -7.428 -2.576 3.408 1.00 0.00 C ATOM 718 CG LEU A 44 -6.779 -1.639 4.435 1.00 0.00 C ATOM 719 CD1 LEU A 44 -5.811 -0.668 3.737 1.00 0.00 C ATOM 720 CD2 LEU A 44 -7.878 -0.846 5.148 1.00 0.00 C ATOM 0 H LEU A 44 -7.886 -4.714 2.058 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.732 -2.655 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.027 -1.997 2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.106 -3.266 3.911 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.217 -2.231 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.358 -0.010 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.030 -1.235 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.358 -0.071 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.427 -0.177 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.437 -0.261 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.554 -1.535 5.654 1.00 0.00 H new ATOM 732 N VAL A 45 -6.031 -5.280 4.060 1.00 0.00 N ATOM 733 CA VAL A 45 -5.309 -6.177 5.012 1.00 0.00 C ATOM 734 C VAL A 45 -5.078 -7.526 4.321 1.00 0.00 C ATOM 735 O VAL A 45 -5.792 -7.897 3.410 1.00 0.00 O ATOM 736 CB VAL A 45 -6.158 -6.397 6.270 1.00 0.00 C ATOM 737 CG1 VAL A 45 -6.343 -5.071 7.020 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.524 -6.959 5.867 1.00 0.00 C ATOM 0 H VAL A 45 -6.951 -5.618 3.778 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.360 -5.724 5.299 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.651 -7.104 6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.947 -5.239 7.912 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.369 -4.678 7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.845 -4.353 6.371 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.130 -7.117 6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.027 -6.253 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.388 -7.908 5.348 1.00 0.00 H new ATOM 748 N ALA A 46 -4.085 -8.256 4.739 1.00 0.00 N ATOM 749 CA ALA A 46 -3.796 -9.578 4.104 1.00 0.00 C ATOM 750 C ALA A 46 -4.954 -10.562 4.331 1.00 0.00 C ATOM 751 O ALA A 46 -4.955 -11.651 3.790 1.00 0.00 O ATOM 752 CB ALA A 46 -2.508 -10.150 4.708 1.00 0.00 C ATOM 0 H ALA A 46 -3.455 -7.996 5.498 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.677 -9.435 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.289 -11.115 4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.682 -9.464 4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.636 -10.279 5.783 1.00 0.00 H new ATOM 758 N THR A 47 -5.928 -10.214 5.137 1.00 0.00 N ATOM 759 CA THR A 47 -7.060 -11.167 5.401 1.00 0.00 C ATOM 760 C THR A 47 -8.250 -10.921 4.455 1.00 0.00 C ATOM 761 O THR A 47 -9.170 -11.714 4.404 1.00 0.00 O ATOM 762 CB THR A 47 -7.534 -10.994 6.846 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.070 -9.687 7.016 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.354 -11.197 7.799 1.00 0.00 C ATOM 0 H THR A 47 -5.991 -9.319 5.622 1.00 0.00 H new ATOM 0 HA THR A 47 -6.693 -12.179 5.229 1.00 0.00 H new ATOM 0 HB THR A 47 -8.306 -11.731 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.375 -9.576 7.941 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.692 -11.074 8.828 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.949 -12.200 7.668 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.580 -10.462 7.581 1.00 0.00 H new ATOM 772 N ASP A 48 -8.259 -9.847 3.712 1.00 0.00 N ATOM 773 CA ASP A 48 -9.415 -9.602 2.794 1.00 0.00 C ATOM 774 C ASP A 48 -9.382 -10.587 1.624 1.00 0.00 C ATOM 775 O ASP A 48 -8.604 -11.520 1.602 1.00 0.00 O ATOM 776 CB ASP A 48 -9.372 -8.168 2.259 1.00 0.00 C ATOM 777 CG ASP A 48 -9.827 -7.191 3.347 1.00 0.00 C ATOM 778 OD1 ASP A 48 -10.229 -7.652 4.403 1.00 0.00 O ATOM 779 OD2 ASP A 48 -9.771 -5.998 3.102 1.00 0.00 O ATOM 0 H ASP A 48 -7.528 -9.136 3.698 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.338 -9.747 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.360 -7.921 1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.016 -8.078 1.384 1.00 0.00 H new ATOM 784 N ARG A 49 -10.235 -10.381 0.652 1.00 0.00 N ATOM 785 CA ARG A 49 -10.288 -11.293 -0.531 1.00 0.00 C ATOM 786 C ARG A 49 -10.548 -10.460 -1.792 1.00 0.00 C ATOM 787 O ARG A 49 -11.153 -9.407 -1.734 1.00 0.00 O ATOM 788 CB ARG A 49 -11.432 -12.292 -0.333 1.00 0.00 C ATOM 789 CG ARG A 49 -11.408 -13.349 -1.446 1.00 0.00 C ATOM 790 CD ARG A 49 -10.139 -14.219 -1.344 1.00 0.00 C ATOM 791 NE ARG A 49 -10.427 -15.601 -1.863 1.00 0.00 N ATOM 792 CZ ARG A 49 -11.333 -16.364 -1.315 1.00 0.00 C ATOM 793 NH1 ARG A 49 -11.929 -15.993 -0.215 1.00 0.00 N ATOM 794 NH2 ARG A 49 -11.622 -17.520 -1.852 1.00 0.00 N ATOM 0 H ARG A 49 -10.904 -9.611 0.628 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.345 -11.829 -0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.339 -12.775 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.388 -11.768 -0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.294 -13.980 -1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.442 -12.860 -2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.330 -13.767 -1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.805 -14.272 -0.308 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.901 -15.951 -2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.688 -15.103 0.221 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.636 -16.593 0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.140 -17.824 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.330 -18.118 -1.425 1.00 0.00 H new ATOM 808 N VAL A 50 -10.093 -10.913 -2.932 1.00 0.00 N ATOM 809 CA VAL A 50 -10.316 -10.136 -4.184 1.00 0.00 C ATOM 810 C VAL A 50 -11.751 -10.379 -4.685 1.00 0.00 C ATOM 811 O VAL A 50 -12.313 -11.430 -4.446 1.00 0.00 O ATOM 812 CB VAL A 50 -9.302 -10.585 -5.232 1.00 0.00 C ATOM 813 CG1 VAL A 50 -7.896 -10.291 -4.711 1.00 0.00 C ATOM 814 CG2 VAL A 50 -9.447 -12.086 -5.481 1.00 0.00 C ATOM 0 H VAL A 50 -9.578 -11.786 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.187 -9.070 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.476 -10.050 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.160 -10.607 -5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.792 -9.221 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.732 -10.835 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.721 -12.402 -6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.269 -12.628 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.454 -12.300 -5.839 1.00 0.00 H new ATOM 824 N PRO A 51 -12.359 -9.416 -5.351 1.00 0.00 N ATOM 825 CA PRO A 51 -13.764 -9.546 -5.853 1.00 0.00 C ATOM 826 C PRO A 51 -13.899 -10.310 -7.196 1.00 0.00 C ATOM 827 O PRO A 51 -13.692 -11.504 -7.261 1.00 0.00 O ATOM 828 CB PRO A 51 -14.181 -8.084 -5.998 1.00 0.00 C ATOM 829 CG PRO A 51 -12.939 -7.418 -6.482 1.00 0.00 C ATOM 830 CD PRO A 51 -11.798 -8.087 -5.704 1.00 0.00 C ATOM 0 HA PRO A 51 -14.385 -10.138 -5.181 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.001 -7.968 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -14.518 -7.666 -5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.814 -7.550 -7.557 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.968 -6.345 -6.294 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.897 -8.179 -6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.527 -7.516 -4.816 1.00 0.00 H new ATOM 838 N ALA A 52 -14.295 -9.628 -8.248 1.00 0.00 N ATOM 839 CA ALA A 52 -14.507 -10.287 -9.579 1.00 0.00 C ATOM 840 C ALA A 52 -13.279 -11.049 -10.068 1.00 0.00 C ATOM 841 O ALA A 52 -12.511 -11.590 -9.296 1.00 0.00 O ATOM 842 CB ALA A 52 -14.913 -9.230 -10.611 1.00 0.00 C ATOM 0 H ALA A 52 -14.483 -8.626 -8.239 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.302 -11.022 -9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.067 -9.707 -11.579 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.837 -8.747 -10.293 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.124 -8.483 -10.696 1.00 0.00 H new ATOM 848 N GLY A 53 -13.120 -11.120 -11.368 1.00 0.00 N ATOM 849 CA GLY A 53 -11.976 -11.868 -11.965 1.00 0.00 C ATOM 850 C GLY A 53 -10.651 -11.237 -11.558 1.00 0.00 C ATOM 851 O GLY A 53 -9.708 -11.207 -12.323 1.00 0.00 O ATOM 0 H GLY A 53 -13.744 -10.685 -12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.005 -12.908 -11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.064 -11.872 -13.051 1.00 0.00 H new ATOM 855 N LYS A 54 -10.559 -10.744 -10.359 1.00 0.00 N ATOM 856 CA LYS A 54 -9.282 -10.129 -9.907 1.00 0.00 C ATOM 857 C LYS A 54 -8.408 -11.213 -9.280 1.00 0.00 C ATOM 858 O LYS A 54 -8.853 -11.979 -8.452 1.00 0.00 O ATOM 859 CB LYS A 54 -9.590 -9.052 -8.865 1.00 0.00 C ATOM 860 CG LYS A 54 -9.976 -7.744 -9.557 1.00 0.00 C ATOM 861 CD LYS A 54 -11.065 -7.992 -10.603 1.00 0.00 C ATOM 862 CE LYS A 54 -11.644 -6.648 -11.053 1.00 0.00 C ATOM 863 NZ LYS A 54 -12.627 -6.870 -12.153 1.00 0.00 N ATOM 0 H LYS A 54 -11.312 -10.739 -9.671 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.760 -9.680 -10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.402 -9.383 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.720 -8.892 -8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.330 -7.026 -8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.099 -7.305 -10.033 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.651 -8.528 -11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.852 -8.619 -10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.129 -6.150 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.843 -5.991 -11.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.420 -6.221 -12.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.558 -7.852 -12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.589 -6.691 -11.800 1.00 0.00 H new ATOM 877 N ARG A 55 -7.172 -11.287 -9.677 1.00 0.00 N ATOM 878 CA ARG A 55 -6.273 -12.327 -9.113 1.00 0.00 C ATOM 879 C ARG A 55 -5.799 -11.909 -7.725 1.00 0.00 C ATOM 880 O ARG A 55 -5.820 -10.747 -7.368 1.00 0.00 O ATOM 881 CB ARG A 55 -5.066 -12.508 -10.028 1.00 0.00 C ATOM 882 CG ARG A 55 -5.523 -13.124 -11.349 1.00 0.00 C ATOM 883 CD ARG A 55 -4.300 -13.483 -12.188 1.00 0.00 C ATOM 884 NE ARG A 55 -4.738 -14.086 -13.477 1.00 0.00 N ATOM 885 CZ ARG A 55 -3.891 -14.191 -14.464 1.00 0.00 C ATOM 886 NH1 ARG A 55 -2.662 -13.778 -14.314 1.00 0.00 N ATOM 887 NH2 ARG A 55 -4.272 -14.713 -15.597 1.00 0.00 N ATOM 0 H ARG A 55 -6.744 -10.671 -10.369 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.819 -13.267 -9.037 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.585 -11.547 -10.209 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.326 -13.150 -9.551 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.123 -14.014 -11.160 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.157 -12.422 -11.891 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.702 -12.592 -12.377 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.666 -14.183 -11.644 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.697 -14.416 -13.588 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.365 -13.374 -13.426 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.999 -13.860 -15.085 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.232 -15.039 -15.711 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.610 -14.795 -16.369 1.00 0.00 H new ATOM 901 N ASP A 56 -5.368 -12.857 -6.943 1.00 0.00 N ATOM 902 CA ASP A 56 -4.884 -12.544 -5.573 1.00 0.00 C ATOM 903 C ASP A 56 -3.804 -11.461 -5.638 1.00 0.00 C ATOM 904 O ASP A 56 -3.223 -11.209 -6.674 1.00 0.00 O ATOM 905 CB ASP A 56 -4.293 -13.811 -4.954 1.00 0.00 C ATOM 906 CG ASP A 56 -3.104 -14.273 -5.798 1.00 0.00 C ATOM 907 OD1 ASP A 56 -3.146 -14.075 -7.002 1.00 0.00 O ATOM 908 OD2 ASP A 56 -2.172 -14.814 -5.227 1.00 0.00 O ATOM 0 H ASP A 56 -5.330 -13.844 -7.198 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.715 -12.184 -4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.974 -13.616 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.049 -14.595 -4.908 1.00 0.00 H new ATOM 913 N CYS A 57 -3.533 -10.825 -4.534 1.00 0.00 N ATOM 914 CA CYS A 57 -2.493 -9.761 -4.510 1.00 0.00 C ATOM 915 C CYS A 57 -2.092 -9.499 -3.060 1.00 0.00 C ATOM 916 O CYS A 57 -2.802 -9.847 -2.139 1.00 0.00 O ATOM 917 CB CYS A 57 -3.055 -8.480 -5.129 1.00 0.00 C ATOM 918 SG CYS A 57 -1.886 -7.124 -4.869 1.00 0.00 S ATOM 0 H CYS A 57 -3.992 -10.998 -3.640 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.622 -10.080 -5.083 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.230 -8.625 -6.195 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.017 -8.237 -4.678 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.720 -6.932 -3.594 1.00 0.00 H new ATOM 924 N ILE A 58 -0.958 -8.892 -2.845 1.00 0.00 N ATOM 925 CA ILE A 58 -0.515 -8.618 -1.447 1.00 0.00 C ATOM 926 C ILE A 58 -1.182 -7.334 -0.933 1.00 0.00 C ATOM 927 O ILE A 58 -1.281 -6.348 -1.637 1.00 0.00 O ATOM 928 CB ILE A 58 1.008 -8.463 -1.423 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.652 -9.769 -1.910 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.463 -8.163 0.008 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.163 -9.579 -2.052 1.00 0.00 C ATOM 0 H ILE A 58 -0.319 -8.574 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.805 -9.447 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 58 1.310 -7.643 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.442 -10.574 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.221 -10.063 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.547 -8.052 0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.997 -7.240 0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.169 -8.984 0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.616 -10.508 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.364 -8.787 -2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.588 -9.306 -1.086 1.00 0.00 H new ATOM 943 N SER A 59 -1.647 -7.346 0.290 1.00 0.00 N ATOM 944 CA SER A 59 -2.315 -6.135 0.862 1.00 0.00 C ATOM 945 C SER A 59 -1.331 -4.963 0.890 1.00 0.00 C ATOM 946 O SER A 59 -0.130 -5.146 0.854 1.00 0.00 O ATOM 947 CB SER A 59 -2.779 -6.436 2.286 1.00 0.00 C ATOM 948 OG SER A 59 -1.648 -6.726 3.099 1.00 0.00 O ATOM 0 H SER A 59 -1.593 -8.146 0.921 1.00 0.00 H new ATOM 0 HA SER A 59 -3.172 -5.873 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.323 -5.583 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.467 -7.282 2.285 1.00 0.00 H new ATOM 0 HG SER A 59 -1.943 -6.918 4.014 1.00 0.00 H new ATOM 954 N LEU A 60 -1.833 -3.760 0.954 1.00 0.00 N ATOM 955 CA LEU A 60 -0.931 -2.574 0.985 1.00 0.00 C ATOM 956 C LEU A 60 -0.072 -2.597 2.253 1.00 0.00 C ATOM 957 O LEU A 60 1.129 -2.426 2.205 1.00 0.00 O ATOM 958 CB LEU A 60 -1.774 -1.291 0.979 1.00 0.00 C ATOM 959 CG LEU A 60 -2.499 -1.127 -0.365 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.485 0.042 -0.266 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.488 -0.849 -1.495 1.00 0.00 C ATOM 0 H LEU A 60 -2.830 -3.547 0.986 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.283 -2.601 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.502 -1.324 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.134 -0.428 1.161 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.033 -2.049 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.003 0.163 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.213 -0.161 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.942 0.957 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.020 -0.736 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.940 0.067 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.788 -1.681 -1.570 1.00 0.00 H new ATOM 973 N ARG A 61 -0.678 -2.796 3.387 1.00 0.00 N ATOM 974 CA ARG A 61 0.096 -2.800 4.666 1.00 0.00 C ATOM 975 C ARG A 61 1.369 -3.640 4.516 1.00 0.00 C ATOM 976 O ARG A 61 2.439 -3.228 4.915 1.00 0.00 O ATOM 977 CB ARG A 61 -0.772 -3.397 5.783 1.00 0.00 C ATOM 978 CG ARG A 61 -2.103 -2.631 5.900 1.00 0.00 C ATOM 979 CD ARG A 61 -1.914 -1.372 6.751 1.00 0.00 C ATOM 980 NE ARG A 61 -3.179 -0.590 6.762 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.363 0.337 7.660 1.00 0.00 C ATOM 982 NH1 ARG A 61 -2.423 0.601 8.530 1.00 0.00 N ATOM 983 NH2 ARG A 61 -4.484 1.006 7.682 1.00 0.00 N ATOM 0 H ARG A 61 -1.680 -2.957 3.488 1.00 0.00 H new ATOM 0 HA ARG A 61 0.373 -1.775 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.968 -4.449 5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.236 -3.353 6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.463 -2.358 4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.862 -3.272 6.349 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.634 -1.646 7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.102 -0.766 6.349 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.902 -0.779 6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.545 0.082 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.567 1.326 9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.213 0.803 6.998 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.631 1.732 8.383 1.00 0.00 H new ATOM 997 N GLU A 62 1.271 -4.811 3.953 1.00 0.00 N ATOM 998 CA GLU A 62 2.488 -5.655 3.797 1.00 0.00 C ATOM 999 C GLU A 62 3.416 -5.038 2.743 1.00 0.00 C ATOM 1000 O GLU A 62 4.622 -5.067 2.881 1.00 0.00 O ATOM 1001 CB GLU A 62 2.084 -7.078 3.387 1.00 0.00 C ATOM 1002 CG GLU A 62 1.489 -7.813 4.594 1.00 0.00 C ATOM 1003 CD GLU A 62 2.588 -8.094 5.623 1.00 0.00 C ATOM 1004 OE1 GLU A 62 3.227 -9.126 5.511 1.00 0.00 O ATOM 1005 OE2 GLU A 62 2.769 -7.273 6.506 1.00 0.00 O ATOM 0 H GLU A 62 0.407 -5.219 3.596 1.00 0.00 H new ATOM 0 HA GLU A 62 3.020 -5.702 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.356 -7.041 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.952 -7.619 3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.700 -7.211 5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.031 -8.748 4.272 1.00 0.00 H new ATOM 1012 N LYS A 63 2.874 -4.476 1.693 1.00 0.00 N ATOM 1013 CA LYS A 63 3.754 -3.863 0.650 1.00 0.00 C ATOM 1014 C LYS A 63 4.464 -2.626 1.216 1.00 0.00 C ATOM 1015 O LYS A 63 5.643 -2.426 1.002 1.00 0.00 O ATOM 1016 CB LYS A 63 2.918 -3.440 -0.577 1.00 0.00 C ATOM 1017 CG LYS A 63 2.632 -4.657 -1.484 1.00 0.00 C ATOM 1018 CD LYS A 63 2.135 -4.199 -2.889 1.00 0.00 C ATOM 1019 CE LYS A 63 0.624 -4.420 -3.031 1.00 0.00 C ATOM 1020 NZ LYS A 63 -0.056 -4.048 -1.762 1.00 0.00 N ATOM 0 H LYS A 63 1.872 -4.415 1.513 1.00 0.00 H new ATOM 0 HA LYS A 63 4.493 -4.606 0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.979 -2.996 -0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.452 -2.676 -1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.536 -5.256 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.881 -5.294 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.368 -3.144 -3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.663 -4.754 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.234 -3.820 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.420 -5.463 -3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.997 -3.660 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.156 -4.891 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.509 -3.332 -1.262 1.00 0.00 H new ATOM 1034 N ILE A 64 3.757 -1.783 1.915 1.00 0.00 N ATOM 1035 CA ILE A 64 4.396 -0.550 2.466 1.00 0.00 C ATOM 1036 C ILE A 64 5.585 -0.926 3.363 1.00 0.00 C ATOM 1037 O ILE A 64 6.681 -0.434 3.185 1.00 0.00 O ATOM 1038 CB ILE A 64 3.339 0.253 3.269 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.484 1.125 2.322 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.015 1.161 4.308 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.401 0.273 1.665 1.00 0.00 C ATOM 0 H ILE A 64 2.766 -1.892 2.130 1.00 0.00 H new ATOM 0 HA ILE A 64 4.770 0.066 1.648 1.00 0.00 H new ATOM 0 HB ILE A 64 2.699 -0.466 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.027 1.942 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.117 1.576 1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.254 1.714 4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.594 0.552 5.002 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.678 1.863 3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.803 0.895 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.867 -0.529 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.759 -0.156 2.434 1.00 0.00 H new ATOM 1053 N ALA A 65 5.381 -1.771 4.330 1.00 0.00 N ATOM 1054 CA ALA A 65 6.510 -2.140 5.229 1.00 0.00 C ATOM 1055 C ALA A 65 7.635 -2.796 4.421 1.00 0.00 C ATOM 1056 O ALA A 65 8.801 -2.603 4.701 1.00 0.00 O ATOM 1057 CB ALA A 65 6.014 -3.109 6.303 1.00 0.00 C ATOM 0 H ALA A 65 4.489 -2.221 4.538 1.00 0.00 H new ATOM 0 HA ALA A 65 6.896 -1.238 5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.841 -3.378 6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.227 -2.633 6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.620 -4.008 5.828 1.00 0.00 H new ATOM 1063 N GLU A 66 7.304 -3.578 3.427 1.00 0.00 N ATOM 1064 CA GLU A 66 8.372 -4.242 2.621 1.00 0.00 C ATOM 1065 C GLU A 66 9.066 -3.216 1.714 1.00 0.00 C ATOM 1066 O GLU A 66 10.276 -3.183 1.622 1.00 0.00 O ATOM 1067 CB GLU A 66 7.754 -5.356 1.767 1.00 0.00 C ATOM 1068 CG GLU A 66 7.447 -6.574 2.646 1.00 0.00 C ATOM 1069 CD GLU A 66 8.745 -7.320 2.963 1.00 0.00 C ATOM 1070 OE1 GLU A 66 9.411 -7.733 2.027 1.00 0.00 O ATOM 1071 OE2 GLU A 66 9.051 -7.465 4.135 1.00 0.00 O ATOM 0 H GLU A 66 6.348 -3.785 3.139 1.00 0.00 H new ATOM 0 HA GLU A 66 9.112 -4.671 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.840 -4.999 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.439 -5.637 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.964 -6.256 3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.750 -7.238 2.134 1.00 0.00 H new ATOM 1078 N LEU A 67 8.315 -2.378 1.044 1.00 0.00 N ATOM 1079 CA LEU A 67 8.950 -1.362 0.148 1.00 0.00 C ATOM 1080 C LEU A 67 9.645 -0.288 0.985 1.00 0.00 C ATOM 1081 O LEU A 67 10.739 0.138 0.695 1.00 0.00 O ATOM 1082 CB LEU A 67 7.870 -0.695 -0.722 1.00 0.00 C ATOM 1083 CG LEU A 67 7.573 -1.545 -1.967 1.00 0.00 C ATOM 1084 CD1 LEU A 67 6.303 -1.010 -2.633 1.00 0.00 C ATOM 1085 CD2 LEU A 67 8.753 -1.473 -2.965 1.00 0.00 C ATOM 0 H LEU A 67 7.296 -2.353 1.078 1.00 0.00 H new ATOM 0 HA LEU A 67 9.683 -1.861 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.958 -0.563 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.202 0.298 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 67 7.435 -2.585 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.079 -1.604 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.470 -1.075 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.454 0.030 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.526 -2.081 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.908 -0.438 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.657 -1.849 -2.487 1.00 0.00 H new ATOM 1097 N GLN A 68 9.010 0.175 2.007 1.00 0.00 N ATOM 1098 CA GLN A 68 9.632 1.243 2.823 1.00 0.00 C ATOM 1099 C GLN A 68 10.854 0.682 3.562 1.00 0.00 C ATOM 1100 O GLN A 68 11.850 1.357 3.734 1.00 0.00 O ATOM 1101 CB GLN A 68 8.591 1.754 3.836 1.00 0.00 C ATOM 1102 CG GLN A 68 8.932 3.190 4.268 1.00 0.00 C ATOM 1103 CD GLN A 68 8.360 3.474 5.659 1.00 0.00 C ATOM 1104 OE1 GLN A 68 9.098 3.648 6.609 1.00 0.00 O ATOM 1105 NE2 GLN A 68 7.069 3.527 5.818 1.00 0.00 N ATOM 0 H GLN A 68 8.089 -0.135 2.317 1.00 0.00 H new ATOM 0 HA GLN A 68 9.958 2.063 2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.596 1.727 3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.569 1.100 4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.013 3.328 4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.526 3.900 3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.450 3.381 5.020 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.676 3.715 6.740 1.00 0.00 H new ATOM 1114 N LYS A 69 10.783 -0.541 4.009 1.00 0.00 N ATOM 1115 CA LYS A 69 11.937 -1.141 4.746 1.00 0.00 C ATOM 1116 C LYS A 69 12.960 -1.758 3.778 1.00 0.00 C ATOM 1117 O LYS A 69 14.124 -1.878 4.098 1.00 0.00 O ATOM 1118 CB LYS A 69 11.406 -2.218 5.694 1.00 0.00 C ATOM 1119 CG LYS A 69 12.507 -2.643 6.672 1.00 0.00 C ATOM 1120 CD LYS A 69 12.093 -3.930 7.397 1.00 0.00 C ATOM 1121 CE LYS A 69 10.818 -3.684 8.211 1.00 0.00 C ATOM 1122 NZ LYS A 69 10.592 -4.826 9.143 1.00 0.00 N ATOM 0 H LYS A 69 9.976 -1.154 3.897 1.00 0.00 H new ATOM 0 HA LYS A 69 12.443 -0.356 5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.546 -1.838 6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.063 -3.080 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.441 -2.803 6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.688 -1.849 7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.924 -4.727 6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.896 -4.262 8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.907 -2.755 8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.964 -3.572 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.727 -4.658 9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.489 -5.705 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.403 -4.913 9.789 1.00 0.00 H new ATOM 1136 N ASP A 70 12.541 -2.181 2.608 1.00 0.00 N ATOM 1137 CA ASP A 70 13.507 -2.822 1.653 1.00 0.00 C ATOM 1138 C ASP A 70 14.084 -1.797 0.673 1.00 0.00 C ATOM 1139 O ASP A 70 15.174 -1.970 0.165 1.00 0.00 O ATOM 1140 CB ASP A 70 12.783 -3.917 0.866 1.00 0.00 C ATOM 1141 CG ASP A 70 13.806 -4.760 0.103 1.00 0.00 C ATOM 1142 OD1 ASP A 70 14.987 -4.609 0.367 1.00 0.00 O ATOM 1143 OD2 ASP A 70 13.389 -5.543 -0.734 1.00 0.00 O ATOM 0 H ASP A 70 11.580 -2.112 2.273 1.00 0.00 H new ATOM 0 HA ASP A 70 14.329 -3.246 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.210 -4.548 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.073 -3.470 0.170 1.00 0.00 H new ATOM 1148 N ILE A 71 13.384 -0.733 0.398 1.00 0.00 N ATOM 1149 CA ILE A 71 13.937 0.277 -0.554 1.00 0.00 C ATOM 1150 C ILE A 71 14.882 1.213 0.205 1.00 0.00 C ATOM 1151 O ILE A 71 15.827 1.739 -0.347 1.00 0.00 O ATOM 1152 CB ILE A 71 12.804 1.105 -1.163 1.00 0.00 C ATOM 1153 CG1 ILE A 71 11.855 0.213 -1.990 1.00 0.00 C ATOM 1154 CG2 ILE A 71 13.401 2.192 -2.053 1.00 0.00 C ATOM 1155 CD1 ILE A 71 12.599 -0.505 -3.122 1.00 0.00 C ATOM 0 H ILE A 71 12.465 -0.518 0.784 1.00 0.00 H new ATOM 0 HA ILE A 71 14.472 -0.240 -1.351 1.00 0.00 H new ATOM 0 HB ILE A 71 12.227 1.560 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.386 -0.524 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.055 0.823 -2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.598 2.786 -2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.046 2.837 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.986 1.730 -2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.898 -1.124 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 71 13.046 0.232 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 71 13.382 -1.135 -2.700 1.00 0.00 H new ATOM 1167 N HIS A 72 14.630 1.427 1.468 1.00 0.00 N ATOM 1168 CA HIS A 72 15.506 2.335 2.264 1.00 0.00 C ATOM 1169 C HIS A 72 16.711 1.554 2.800 1.00 0.00 C ATOM 1170 O HIS A 72 17.416 0.902 2.057 1.00 0.00 O ATOM 1171 CB HIS A 72 14.705 2.907 3.438 1.00 0.00 C ATOM 1172 CG HIS A 72 13.587 3.772 2.923 1.00 0.00 C ATOM 1173 ND1 HIS A 72 12.641 4.324 3.772 1.00 0.00 N ATOM 1174 CD2 HIS A 72 13.250 4.194 1.661 1.00 0.00 C ATOM 1175 CE1 HIS A 72 11.789 5.041 3.018 1.00 0.00 C ATOM 1176 NE2 HIS A 72 12.113 4.995 1.723 1.00 0.00 N ATOM 0 H HIS A 72 13.854 1.012 1.984 1.00 0.00 H new ATOM 0 HA HIS A 72 15.859 3.147 1.629 1.00 0.00 H new ATOM 0 HB2 HIS A 72 14.300 2.096 4.042 1.00 0.00 H new ATOM 0 HB3 HIS A 72 15.359 3.491 4.086 1.00 0.00 H new ATOM 0 HD2 HIS A 72 13.785 3.943 0.757 1.00 0.00 H new ATOM 0 HE1 HIS A 72 10.945 5.588 3.412 1.00 0.00 H new ATOM 0 HE2 HIS A 72 11.631 5.449 0.947 1.00 0.00 H new ATOM 1184 N ASP A 73 16.956 1.618 4.084 1.00 0.00 N ATOM 1185 CA ASP A 73 18.116 0.884 4.665 1.00 0.00 C ATOM 1186 C ASP A 73 19.388 1.253 3.900 1.00 0.00 C ATOM 1187 O ASP A 73 20.100 2.167 4.266 1.00 0.00 O ATOM 1188 CB ASP A 73 17.878 -0.623 4.556 1.00 0.00 C ATOM 1189 CG ASP A 73 16.637 -1.001 5.366 1.00 0.00 C ATOM 1190 OD1 ASP A 73 15.751 -0.170 5.478 1.00 0.00 O ATOM 1191 OD2 ASP A 73 16.594 -2.114 5.864 1.00 0.00 O ATOM 0 H ASP A 73 16.400 2.149 4.755 1.00 0.00 H new ATOM 0 HA ASP A 73 18.227 1.159 5.714 1.00 0.00 H new ATOM 0 HB2 ASP A 73 17.745 -0.907 3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 73 18.747 -1.167 4.926 1.00 0.00 H new TER 1196 ASP A 73