USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 614 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 25 LYS NZ :NH3+ -118:sc= 0.3 (180deg=0) USER MOD Set 1.2: A 26 ASN : amide:sc= 0.276 K(o=0.58,f=-3!) USER MOD Single : A 7 LYS NZ :NH3+ -154:sc= -0.0283 (180deg=-0.951) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.221) USER MOD Single : A 30 ASN : amide:sc= -1.99 K(o=-2,f=-3.6!) USER MOD Single : A 34 THR OG1 : rot -107:sc= 0.673 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 50 GLN : amide:sc= 0.894 K(o=0.89,f=-0.74) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc=-0.00613 X(o=-0.0061,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -160:sc= -1.4! USER MOD Single : A 71 ASN : amide:sc= -3.11! C(o=-3.1!,f=-5!) USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= -0.0485 (180deg=-0.533) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 81 GLN : amide:sc= -1.77 K(o=-1.8,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 2.783 -19.709 8.774 1.00 0.00 N ATOM 2 CA ALA A 2 2.996 -18.338 9.204 1.00 0.00 C ATOM 3 C ALA A 2 2.823 -17.400 8.007 1.00 0.00 C ATOM 4 O ALA A 2 3.806 -16.924 7.440 1.00 0.00 O ATOM 5 CB ALA A 2 4.378 -18.213 9.848 1.00 0.00 C ATOM 0 HA ALA A 2 2.260 -18.053 9.956 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.537 -17.184 10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.439 -18.877 10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.144 -18.489 9.123 1.00 0.00 H new ATOM 11 N ASP A 3 1.567 -17.163 7.658 1.00 0.00 N ATOM 12 CA ASP A 3 1.253 -16.290 6.539 1.00 0.00 C ATOM 13 C ASP A 3 1.760 -14.879 6.841 1.00 0.00 C ATOM 14 O ASP A 3 0.993 -14.018 7.269 1.00 0.00 O ATOM 15 CB ASP A 3 -0.257 -16.211 6.309 1.00 0.00 C ATOM 16 CG ASP A 3 -0.969 -17.563 6.220 1.00 0.00 C ATOM 17 OD1 ASP A 3 -1.192 -18.159 7.296 1.00 0.00 O ATOM 18 OD2 ASP A 3 -1.274 -17.968 5.078 1.00 0.00 O ATOM 0 H ASP A 3 0.755 -17.560 8.130 1.00 0.00 H new ATOM 0 HA ASP A 3 1.732 -16.697 5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.703 -15.635 7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.441 -15.659 5.387 1.00 0.00 H new ATOM 23 N GLU A 4 3.049 -14.685 6.607 1.00 0.00 N ATOM 24 CA GLU A 4 3.668 -13.392 6.849 1.00 0.00 C ATOM 25 C GLU A 4 4.572 -13.008 5.674 1.00 0.00 C ATOM 26 O GLU A 4 5.331 -12.045 5.760 1.00 0.00 O ATOM 27 CB GLU A 4 4.450 -13.395 8.164 1.00 0.00 C ATOM 28 CG GLU A 4 5.658 -14.330 8.082 1.00 0.00 C ATOM 29 CD GLU A 4 6.416 -14.364 9.410 1.00 0.00 C ATOM 30 OE1 GLU A 4 5.754 -14.643 10.434 1.00 0.00 O ATOM 31 OE2 GLU A 4 7.639 -14.112 9.372 1.00 0.00 O ATOM 0 H GLU A 4 3.683 -15.401 6.252 1.00 0.00 H new ATOM 0 HA GLU A 4 2.880 -12.644 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.784 -12.383 8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.797 -13.709 8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.327 -15.336 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.326 -13.999 7.287 1.00 0.00 H new ATOM 38 N ALA A 5 4.461 -13.783 4.605 1.00 0.00 N ATOM 39 CA ALA A 5 5.258 -13.537 3.416 1.00 0.00 C ATOM 40 C ALA A 5 4.616 -12.413 2.600 1.00 0.00 C ATOM 41 O ALA A 5 5.265 -11.811 1.746 1.00 0.00 O ATOM 42 CB ALA A 5 5.395 -14.833 2.615 1.00 0.00 C ATOM 0 H ALA A 5 3.831 -14.582 4.538 1.00 0.00 H new ATOM 0 HA ALA A 5 6.263 -13.214 3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.993 -14.648 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.883 -15.590 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.406 -15.186 2.322 1.00 0.00 H new ATOM 48 N ILE A 6 3.348 -12.163 2.892 1.00 0.00 N ATOM 49 CA ILE A 6 2.611 -11.122 2.197 1.00 0.00 C ATOM 50 C ILE A 6 2.807 -9.791 2.924 1.00 0.00 C ATOM 51 O ILE A 6 3.290 -8.823 2.337 1.00 0.00 O ATOM 52 CB ILE A 6 1.143 -11.522 2.034 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.911 -12.219 0.691 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.221 -10.315 2.220 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.482 -12.850 0.635 1.00 0.00 C ATOM 0 H ILE A 6 2.812 -12.664 3.601 1.00 0.00 H new ATOM 0 HA ILE A 6 2.997 -10.993 1.186 1.00 0.00 H new ATOM 0 HB ILE A 6 0.896 -12.239 2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.021 -11.499 -0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.669 -12.988 0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.816 -10.627 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.361 -9.901 3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.461 -9.556 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.622 -13.339 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.580 -13.586 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.238 -12.075 0.762 1.00 0.00 H new ATOM 67 N LYS A 7 2.423 -9.783 4.192 1.00 0.00 N ATOM 68 CA LYS A 7 2.551 -8.587 5.006 1.00 0.00 C ATOM 69 C LYS A 7 3.968 -8.026 4.862 1.00 0.00 C ATOM 70 O LYS A 7 4.158 -6.811 4.826 1.00 0.00 O ATOM 71 CB LYS A 7 2.149 -8.877 6.453 1.00 0.00 C ATOM 72 CG LYS A 7 1.455 -7.668 7.083 1.00 0.00 C ATOM 73 CD LYS A 7 2.219 -7.176 8.314 1.00 0.00 C ATOM 74 CE LYS A 7 3.003 -5.900 7.999 1.00 0.00 C ATOM 75 NZ LYS A 7 4.088 -5.703 8.984 1.00 0.00 N ATOM 0 H LYS A 7 2.023 -10.587 4.676 1.00 0.00 H new ATOM 0 HA LYS A 7 1.865 -7.815 4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.483 -9.739 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.033 -9.137 7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.382 -6.864 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.437 -7.935 7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.520 -6.986 9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.903 -7.952 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.422 -5.962 6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.332 -5.041 8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.316 -4.690 9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.780 -6.052 9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.933 -6.228 8.680 1.00 0.00 H new ATOM 89 N ASN A 8 4.926 -8.938 4.785 1.00 0.00 N ATOM 90 CA ASN A 8 6.319 -8.551 4.644 1.00 0.00 C ATOM 91 C ASN A 8 6.531 -7.912 3.271 1.00 0.00 C ATOM 92 O ASN A 8 6.952 -6.760 3.177 1.00 0.00 O ATOM 93 CB ASN A 8 7.242 -9.766 4.748 1.00 0.00 C ATOM 94 CG ASN A 8 8.630 -9.361 5.247 1.00 0.00 C ATOM 95 OD1 ASN A 8 9.169 -8.327 4.889 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.177 -10.230 6.092 1.00 0.00 N ATOM 0 H ASN A 8 4.765 -9.945 4.818 1.00 0.00 H new ATOM 0 HA ASN A 8 6.556 -7.849 5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.808 -10.500 5.427 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.328 -10.246 3.773 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.102 -10.049 6.482 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.671 -11.077 6.351 1.00 0.00 H new ATOM 103 N GLY A 9 6.231 -8.687 2.240 1.00 0.00 N ATOM 104 CA GLY A 9 6.383 -8.210 0.876 1.00 0.00 C ATOM 105 C GLY A 9 5.585 -6.923 0.652 1.00 0.00 C ATOM 106 O GLY A 9 6.079 -5.983 0.033 1.00 0.00 O ATOM 0 H GLY A 9 5.883 -9.642 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.437 -8.030 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.046 -8.977 0.179 1.00 0.00 H new ATOM 110 N VAL A 10 4.364 -6.925 1.168 1.00 0.00 N ATOM 111 CA VAL A 10 3.494 -5.769 1.032 1.00 0.00 C ATOM 112 C VAL A 10 4.194 -4.538 1.611 1.00 0.00 C ATOM 113 O VAL A 10 3.966 -3.418 1.156 1.00 0.00 O ATOM 114 CB VAL A 10 2.142 -6.053 1.690 1.00 0.00 C ATOM 115 CG1 VAL A 10 2.072 -5.436 3.089 1.00 0.00 C ATOM 116 CG2 VAL A 10 0.991 -5.555 0.814 1.00 0.00 C ATOM 0 H VAL A 10 3.957 -7.708 1.680 1.00 0.00 H new ATOM 0 HA VAL A 10 3.293 -5.563 -0.019 1.00 0.00 H new ATOM 0 HB VAL A 10 2.041 -7.133 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.101 -5.653 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.860 -5.859 3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.206 -4.357 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.041 -5.769 1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.087 -4.480 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.023 -6.061 -0.151 1.00 0.00 H new ATOM 126 N LEU A 11 5.032 -4.786 2.606 1.00 0.00 N ATOM 127 CA LEU A 11 5.767 -3.712 3.252 1.00 0.00 C ATOM 128 C LEU A 11 7.011 -3.381 2.424 1.00 0.00 C ATOM 129 O LEU A 11 7.292 -2.213 2.160 1.00 0.00 O ATOM 130 CB LEU A 11 6.075 -4.072 4.707 1.00 0.00 C ATOM 131 CG LEU A 11 5.924 -2.940 5.724 1.00 0.00 C ATOM 132 CD1 LEU A 11 6.325 -3.405 7.126 1.00 0.00 C ATOM 133 CD2 LEU A 11 6.708 -1.701 5.287 1.00 0.00 C ATOM 0 H LEU A 11 5.219 -5.716 2.981 1.00 0.00 H new ATOM 0 HA LEU A 11 5.161 -2.807 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.420 -4.891 5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.097 -4.447 4.759 1.00 0.00 H new ATOM 0 HG LEU A 11 4.872 -2.658 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.208 -2.581 7.830 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.687 -4.235 7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.365 -3.731 7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.583 -0.911 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.765 -1.952 5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.335 -1.356 4.323 1.00 0.00 H new ATOM 145 N ASP A 12 7.722 -4.430 2.038 1.00 0.00 N ATOM 146 CA ASP A 12 8.928 -4.265 1.245 1.00 0.00 C ATOM 147 C ASP A 12 8.592 -3.496 -0.034 1.00 0.00 C ATOM 148 O ASP A 12 9.402 -2.709 -0.521 1.00 0.00 O ATOM 149 CB ASP A 12 9.512 -5.621 0.843 1.00 0.00 C ATOM 150 CG ASP A 12 11.038 -5.663 0.740 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.675 -4.817 1.405 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.533 -6.540 -0.001 1.00 0.00 O ATOM 0 H ASP A 12 7.486 -5.397 2.260 1.00 0.00 H new ATOM 0 HA ASP A 12 9.657 -3.723 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.191 -6.368 1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.090 -5.911 -0.119 1.00 0.00 H new ATOM 157 N ILE A 13 7.396 -3.752 -0.543 1.00 0.00 N ATOM 158 CA ILE A 13 6.943 -3.094 -1.756 1.00 0.00 C ATOM 159 C ILE A 13 6.449 -1.687 -1.414 1.00 0.00 C ATOM 160 O ILE A 13 6.366 -0.824 -2.287 1.00 0.00 O ATOM 161 CB ILE A 13 5.901 -3.953 -2.476 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.563 -4.862 -3.514 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.803 -3.083 -3.091 1.00 0.00 C ATOM 164 CD1 ILE A 13 5.877 -6.229 -3.562 1.00 0.00 C ATOM 0 H ILE A 13 6.727 -4.406 -0.137 1.00 0.00 H new ATOM 0 HA ILE A 13 7.769 -2.981 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 13 5.423 -4.600 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.516 -4.393 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.618 -4.989 -3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.076 -3.718 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.305 -2.516 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.245 -2.394 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.366 -6.856 -4.307 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.947 -6.706 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.828 -6.100 -3.828 1.00 0.00 H new ATOM 176 N LEU A 14 6.133 -1.498 -0.141 1.00 0.00 N ATOM 177 CA LEU A 14 5.649 -0.211 0.327 1.00 0.00 C ATOM 178 C LEU A 14 6.840 0.710 0.596 1.00 0.00 C ATOM 179 O LEU A 14 6.925 1.802 0.036 1.00 0.00 O ATOM 180 CB LEU A 14 4.727 -0.393 1.535 1.00 0.00 C ATOM 181 CG LEU A 14 3.261 -0.010 1.323 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.539 -1.054 0.468 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.556 0.221 2.661 1.00 0.00 C ATOM 0 H LEU A 14 6.203 -2.215 0.581 1.00 0.00 H new ATOM 0 HA LEU A 14 5.041 0.269 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.768 -1.437 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.121 0.200 2.361 1.00 0.00 H new ATOM 0 HG LEU A 14 3.230 0.932 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.499 -0.757 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.025 -1.127 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.578 -2.023 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.515 0.492 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.596 -0.692 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.053 1.027 3.200 1.00 0.00 H new ATOM 195 N ALA A 15 7.732 0.236 1.454 1.00 0.00 N ATOM 196 CA ALA A 15 8.915 1.004 1.804 1.00 0.00 C ATOM 197 C ALA A 15 9.726 1.288 0.538 1.00 0.00 C ATOM 198 O ALA A 15 10.465 2.269 0.477 1.00 0.00 O ATOM 199 CB ALA A 15 9.725 0.243 2.856 1.00 0.00 C ATOM 0 H ALA A 15 7.659 -0.670 1.917 1.00 0.00 H new ATOM 0 HA ALA A 15 8.635 1.963 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.612 0.819 3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.114 0.091 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.026 -0.724 2.454 1.00 0.00 H new ATOM 205 N ASP A 16 9.561 0.411 -0.441 1.00 0.00 N ATOM 206 CA ASP A 16 10.268 0.556 -1.703 1.00 0.00 C ATOM 207 C ASP A 16 9.571 1.617 -2.554 1.00 0.00 C ATOM 208 O ASP A 16 10.226 2.363 -3.282 1.00 0.00 O ATOM 209 CB ASP A 16 10.267 -0.758 -2.488 1.00 0.00 C ATOM 210 CG ASP A 16 11.024 -0.717 -3.817 1.00 0.00 C ATOM 211 OD1 ASP A 16 10.507 -0.058 -4.745 1.00 0.00 O ATOM 212 OD2 ASP A 16 12.104 -1.344 -3.875 1.00 0.00 O ATOM 0 H ASP A 16 8.948 -0.403 -0.386 1.00 0.00 H new ATOM 0 HA ASP A 16 11.296 0.844 -1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.702 -1.538 -1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.234 -1.046 -2.684 1.00 0.00 H new ATOM 217 N LEU A 17 8.252 1.652 -2.437 1.00 0.00 N ATOM 218 CA LEU A 17 7.458 2.610 -3.188 1.00 0.00 C ATOM 219 C LEU A 17 7.832 4.028 -2.752 1.00 0.00 C ATOM 220 O LEU A 17 8.148 4.875 -3.586 1.00 0.00 O ATOM 221 CB LEU A 17 5.968 2.297 -3.050 1.00 0.00 C ATOM 222 CG LEU A 17 5.130 2.445 -4.322 1.00 0.00 C ATOM 223 CD1 LEU A 17 3.647 2.209 -4.032 1.00 0.00 C ATOM 224 CD2 LEU A 17 5.376 3.802 -4.985 1.00 0.00 C ATOM 0 H LEU A 17 7.713 1.032 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 17 7.678 2.535 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.864 1.274 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.549 2.951 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 17 5.445 1.679 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.074 2.320 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.509 1.202 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.299 2.936 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.769 3.882 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.105 4.599 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.430 3.893 -5.248 1.00 0.00 H new ATOM 236 N THR A 18 7.783 4.242 -1.445 1.00 0.00 N ATOM 237 CA THR A 18 8.112 5.543 -0.888 1.00 0.00 C ATOM 238 C THR A 18 9.623 5.780 -0.943 1.00 0.00 C ATOM 239 O THR A 18 10.073 6.845 -1.364 1.00 0.00 O ATOM 240 CB THR A 18 7.538 5.610 0.529 1.00 0.00 C ATOM 241 OG1 THR A 18 8.328 4.681 1.267 1.00 0.00 O ATOM 242 CG2 THR A 18 6.120 5.044 0.613 1.00 0.00 C ATOM 0 H THR A 18 7.521 3.537 -0.756 1.00 0.00 H new ATOM 0 HA THR A 18 7.667 6.348 -1.473 1.00 0.00 H new ATOM 0 HB THR A 18 7.536 6.645 0.872 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.025 4.661 2.199 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.760 5.115 1.639 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.462 5.613 -0.043 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.126 3.999 0.303 1.00 0.00 H new ATOM 250 N GLY A 19 10.365 4.770 -0.512 1.00 0.00 N ATOM 251 CA GLY A 19 11.815 4.855 -0.507 1.00 0.00 C ATOM 252 C GLY A 19 12.341 5.170 0.895 1.00 0.00 C ATOM 253 O GLY A 19 13.547 5.133 1.132 1.00 0.00 O ATOM 0 H GLY A 19 9.988 3.888 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.239 3.913 -0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.140 5.628 -1.203 1.00 0.00 H new ATOM 257 N SER A 20 11.410 5.473 1.788 1.00 0.00 N ATOM 258 CA SER A 20 11.764 5.793 3.160 1.00 0.00 C ATOM 259 C SER A 20 11.552 4.570 4.054 1.00 0.00 C ATOM 260 O SER A 20 11.291 3.474 3.561 1.00 0.00 O ATOM 261 CB SER A 20 10.946 6.978 3.677 1.00 0.00 C ATOM 262 OG SER A 20 11.776 8.032 4.155 1.00 0.00 O ATOM 0 H SER A 20 10.410 5.504 1.588 1.00 0.00 H new ATOM 0 HA SER A 20 12.817 6.075 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.307 7.354 2.878 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.289 6.642 4.479 1.00 0.00 H new ATOM 0 HG SER A 20 11.216 8.770 4.475 1.00 0.00 H new ATOM 268 N ASP A 21 11.672 4.800 5.354 1.00 0.00 N ATOM 269 CA ASP A 21 11.498 3.730 6.321 1.00 0.00 C ATOM 270 C ASP A 21 10.645 4.237 7.487 1.00 0.00 C ATOM 271 O ASP A 21 10.826 3.808 8.625 1.00 0.00 O ATOM 272 CB ASP A 21 12.845 3.272 6.885 1.00 0.00 C ATOM 273 CG ASP A 21 12.923 1.786 7.245 1.00 0.00 C ATOM 274 OD1 ASP A 21 11.869 1.122 7.147 1.00 0.00 O ATOM 275 OD2 ASP A 21 14.035 1.349 7.611 1.00 0.00 O ATOM 0 H ASP A 21 11.887 5.711 5.759 1.00 0.00 H new ATOM 0 HA ASP A 21 11.016 2.893 5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.623 3.495 6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.067 3.859 7.776 1.00 0.00 H new ATOM 280 N ASP A 22 9.735 5.143 7.162 1.00 0.00 N ATOM 281 CA ASP A 22 8.855 5.714 8.168 1.00 0.00 C ATOM 282 C ASP A 22 7.468 5.081 8.043 1.00 0.00 C ATOM 283 O ASP A 22 6.770 4.905 9.040 1.00 0.00 O ATOM 284 CB ASP A 22 8.705 7.224 7.976 1.00 0.00 C ATOM 285 CG ASP A 22 8.375 8.008 9.247 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.922 7.357 10.214 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.584 9.240 9.225 1.00 0.00 O ATOM 0 H ASP A 22 9.588 5.496 6.216 1.00 0.00 H new ATOM 0 HA ASP A 22 9.290 5.517 9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.632 7.615 7.556 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.920 7.405 7.241 1.00 0.00 H new ATOM 292 N VAL A 23 7.110 4.755 6.809 1.00 0.00 N ATOM 293 CA VAL A 23 5.818 4.145 6.541 1.00 0.00 C ATOM 294 C VAL A 23 5.907 2.639 6.797 1.00 0.00 C ATOM 295 O VAL A 23 4.901 1.936 6.735 1.00 0.00 O ATOM 296 CB VAL A 23 5.365 4.485 5.120 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.073 3.600 4.092 1.00 0.00 C ATOM 298 CG2 VAL A 23 3.845 4.371 4.987 1.00 0.00 C ATOM 0 H VAL A 23 7.692 4.902 5.984 1.00 0.00 H new ATOM 0 HA VAL A 23 5.059 4.544 7.214 1.00 0.00 H new ATOM 0 HB VAL A 23 5.642 5.520 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.733 3.862 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.150 3.752 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.841 2.554 4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.549 4.618 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.535 3.352 5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.366 5.062 5.681 1.00 0.00 H new ATOM 308 N LYS A 24 7.122 2.191 7.078 1.00 0.00 N ATOM 309 CA LYS A 24 7.355 0.781 7.343 1.00 0.00 C ATOM 310 C LYS A 24 7.092 0.494 8.822 1.00 0.00 C ATOM 311 O LYS A 24 6.941 -0.661 9.217 1.00 0.00 O ATOM 312 CB LYS A 24 8.755 0.373 6.878 1.00 0.00 C ATOM 313 CG LYS A 24 9.236 -0.877 7.617 1.00 0.00 C ATOM 314 CD LYS A 24 9.917 -0.505 8.936 1.00 0.00 C ATOM 315 CE LYS A 24 9.879 -1.675 9.922 1.00 0.00 C ATOM 316 NZ LYS A 24 9.433 -1.215 11.255 1.00 0.00 N ATOM 0 H LYS A 24 7.954 2.778 7.128 1.00 0.00 H new ATOM 0 HA LYS A 24 6.661 0.166 6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.745 0.184 5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.453 1.193 7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.390 -1.536 7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.932 -1.431 6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.951 -0.218 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.421 0.361 9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.204 -2.447 9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.868 -2.126 9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.756 -1.887 11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.835 -0.276 11.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.395 -1.158 11.273 1.00 0.00 H new ATOM 330 N LYS A 25 7.043 1.566 9.601 1.00 0.00 N ATOM 331 CA LYS A 25 6.800 1.444 11.027 1.00 0.00 C ATOM 332 C LYS A 25 5.366 1.878 11.335 1.00 0.00 C ATOM 333 O LYS A 25 4.537 1.060 11.733 1.00 0.00 O ATOM 334 CB LYS A 25 7.859 2.214 11.819 1.00 0.00 C ATOM 335 CG LYS A 25 7.676 2.008 13.325 1.00 0.00 C ATOM 336 CD LYS A 25 6.510 2.845 13.854 1.00 0.00 C ATOM 337 CE LYS A 25 6.692 3.159 15.340 1.00 0.00 C ATOM 338 NZ LYS A 25 6.128 4.489 15.662 1.00 0.00 N ATOM 0 H LYS A 25 7.168 2.523 9.270 1.00 0.00 H new ATOM 0 HA LYS A 25 6.893 0.404 11.341 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.854 1.882 11.521 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.794 3.276 11.583 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.495 0.953 13.532 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.592 2.283 13.847 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.438 3.774 13.288 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.574 2.307 13.704 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.202 2.394 15.942 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.751 3.135 15.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.885 5.113 16.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.701 4.901 14.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.401 4.389 16.399 1.00 0.00 H new ATOM 352 N ASN A 26 5.116 3.164 11.140 1.00 0.00 N ATOM 353 CA ASN A 26 3.796 3.717 11.391 1.00 0.00 C ATOM 354 C ASN A 26 2.766 2.977 10.535 1.00 0.00 C ATOM 355 O ASN A 26 2.952 2.822 9.329 1.00 0.00 O ATOM 356 CB ASN A 26 3.740 5.200 11.019 1.00 0.00 C ATOM 357 CG ASN A 26 4.088 6.080 12.222 1.00 0.00 C ATOM 358 OD1 ASN A 26 4.880 5.721 13.078 1.00 0.00 O ATOM 359 ND2 ASN A 26 3.456 7.250 12.237 1.00 0.00 N ATOM 0 H ASN A 26 5.806 3.840 10.811 1.00 0.00 H new ATOM 0 HA ASN A 26 3.580 3.603 12.453 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.435 5.401 10.204 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.743 5.450 10.657 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.622 7.910 12.997 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.805 7.488 11.488 1.00 0.00 H new ATOM 366 N LEU A 27 1.702 2.539 11.194 1.00 0.00 N ATOM 367 CA LEU A 27 0.643 1.818 10.508 1.00 0.00 C ATOM 368 C LEU A 27 -0.501 2.782 10.190 1.00 0.00 C ATOM 369 O LEU A 27 -1.662 2.380 10.140 1.00 0.00 O ATOM 370 CB LEU A 27 0.210 0.598 11.324 1.00 0.00 C ATOM 371 CG LEU A 27 1.311 -0.410 11.659 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.064 -1.059 13.022 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.457 -1.451 10.548 1.00 0.00 C ATOM 0 H LEU A 27 1.551 2.670 12.194 1.00 0.00 H new ATOM 0 HA LEU A 27 1.003 1.425 9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.231 0.948 12.257 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.576 0.079 10.775 1.00 0.00 H new ATOM 0 HG LEU A 27 2.257 0.127 11.724 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.861 -1.771 13.236 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.048 -0.290 13.794 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.106 -1.579 13.009 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.246 -2.155 10.811 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.516 -1.988 10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.713 -0.952 9.613 1.00 0.00 H new ATOM 385 N ASP A 28 -0.133 4.039 9.983 1.00 0.00 N ATOM 386 CA ASP A 28 -1.114 5.064 9.671 1.00 0.00 C ATOM 387 C ASP A 28 -0.397 6.298 9.118 1.00 0.00 C ATOM 388 O ASP A 28 -0.864 7.422 9.295 1.00 0.00 O ATOM 389 CB ASP A 28 -1.887 5.486 10.922 1.00 0.00 C ATOM 390 CG ASP A 28 -3.404 5.306 10.837 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.969 5.738 9.810 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.962 4.740 11.802 1.00 0.00 O ATOM 0 H ASP A 28 0.831 4.370 10.025 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.810 4.654 8.939 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.515 4.912 11.771 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.672 6.535 11.127 1.00 0.00 H new ATOM 397 N LEU A 29 0.725 6.046 8.461 1.00 0.00 N ATOM 398 CA LEU A 29 1.511 7.122 7.882 1.00 0.00 C ATOM 399 C LEU A 29 0.946 7.477 6.505 1.00 0.00 C ATOM 400 O LEU A 29 1.312 6.864 5.503 1.00 0.00 O ATOM 401 CB LEU A 29 2.995 6.751 7.860 1.00 0.00 C ATOM 402 CG LEU A 29 3.975 7.915 7.702 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.160 8.661 9.025 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.308 7.434 7.124 1.00 0.00 C ATOM 0 H LEU A 29 1.109 5.112 8.317 1.00 0.00 H new ATOM 0 HA LEU A 29 1.440 8.019 8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.232 6.226 8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.161 6.048 7.043 1.00 0.00 H new ATOM 0 HG LEU A 29 3.551 8.624 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.861 9.483 8.884 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.200 9.056 9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.551 7.976 9.777 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.987 8.281 7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.749 6.694 7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.139 6.984 6.146 1.00 0.00 H new ATOM 416 N ASN A 30 0.062 8.464 6.500 1.00 0.00 N ATOM 417 CA ASN A 30 -0.557 8.907 5.263 1.00 0.00 C ATOM 418 C ASN A 30 0.485 8.895 4.142 1.00 0.00 C ATOM 419 O ASN A 30 1.255 9.842 3.996 1.00 0.00 O ATOM 420 CB ASN A 30 -1.092 10.335 5.394 1.00 0.00 C ATOM 421 CG ASN A 30 -2.616 10.364 5.269 1.00 0.00 C ATOM 422 OD1 ASN A 30 -3.185 11.089 4.469 1.00 0.00 O ATOM 423 ND2 ASN A 30 -3.244 9.537 6.100 1.00 0.00 N ATOM 0 H ASN A 30 -0.240 8.969 7.333 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.382 8.231 5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.795 10.751 6.356 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.648 10.965 4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.263 9.483 6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.707 8.957 6.745 1.00 0.00 H new ATOM 430 N LEU A 31 0.475 7.810 3.381 1.00 0.00 N ATOM 431 CA LEU A 31 1.409 7.661 2.279 1.00 0.00 C ATOM 432 C LEU A 31 1.263 8.850 1.328 1.00 0.00 C ATOM 433 O LEU A 31 2.161 9.130 0.535 1.00 0.00 O ATOM 434 CB LEU A 31 1.223 6.303 1.598 1.00 0.00 C ATOM 435 CG LEU A 31 1.576 5.077 2.443 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.487 4.007 2.338 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.955 4.529 2.065 1.00 0.00 C ATOM 0 H LEU A 31 -0.165 7.026 3.506 1.00 0.00 H new ATOM 0 HA LEU A 31 2.435 7.670 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.183 6.216 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.832 6.285 0.694 1.00 0.00 H new ATOM 0 HG LEU A 31 1.626 5.385 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.762 3.146 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.459 4.415 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.381 3.696 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.182 3.658 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.956 4.241 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.710 5.297 2.232 1.00 0.00 H new ATOM 449 N PHE A 32 0.124 9.519 1.437 1.00 0.00 N ATOM 450 CA PHE A 32 -0.151 10.672 0.598 1.00 0.00 C ATOM 451 C PHE A 32 0.257 11.970 1.296 1.00 0.00 C ATOM 452 O PHE A 32 1.075 12.728 0.777 1.00 0.00 O ATOM 453 CB PHE A 32 -1.661 10.694 0.348 1.00 0.00 C ATOM 454 CG PHE A 32 -2.125 9.730 -0.745 1.00 0.00 C ATOM 455 CD1 PHE A 32 -1.857 10.003 -2.051 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.805 8.601 -0.413 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.288 9.108 -3.066 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.236 7.706 -1.428 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.968 7.978 -2.733 1.00 0.00 C ATOM 0 H PHE A 32 -0.619 9.284 2.095 1.00 0.00 H new ATOM 0 HA PHE A 32 0.415 10.598 -0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.176 10.449 1.277 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.959 11.706 0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.317 10.900 -2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.018 8.384 0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.076 9.325 -4.103 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.777 6.809 -1.163 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.295 7.297 -3.505 1.00 0.00 H new ATOM 469 N GLU A 33 -0.331 12.187 2.463 1.00 0.00 N ATOM 470 CA GLU A 33 -0.039 13.380 3.239 1.00 0.00 C ATOM 471 C GLU A 33 1.470 13.518 3.452 1.00 0.00 C ATOM 472 O GLU A 33 1.966 14.613 3.713 1.00 0.00 O ATOM 473 CB GLU A 33 -0.783 13.361 4.575 1.00 0.00 C ATOM 474 CG GLU A 33 -1.213 14.772 4.984 1.00 0.00 C ATOM 475 CD GLU A 33 -0.217 15.385 5.970 1.00 0.00 C ATOM 476 OE1 GLU A 33 -0.142 14.858 7.101 1.00 0.00 O ATOM 477 OE2 GLU A 33 0.446 16.366 5.571 1.00 0.00 O ATOM 0 H GLU A 33 -1.009 11.556 2.890 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.388 14.248 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.660 12.718 4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.142 12.935 5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.289 15.404 4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.204 14.737 5.437 1.00 0.00 H new ATOM 484 N THR A 34 2.158 12.391 3.335 1.00 0.00 N ATOM 485 CA THR A 34 3.600 12.373 3.512 1.00 0.00 C ATOM 486 C THR A 34 4.302 12.776 2.214 1.00 0.00 C ATOM 487 O THR A 34 5.463 13.179 2.231 1.00 0.00 O ATOM 488 CB THR A 34 3.997 10.982 4.011 1.00 0.00 C ATOM 489 OG1 THR A 34 3.425 10.094 3.055 1.00 0.00 O ATOM 490 CG2 THR A 34 3.304 10.612 5.325 1.00 0.00 C ATOM 0 H THR A 34 1.743 11.484 3.120 1.00 0.00 H new ATOM 0 HA THR A 34 3.917 13.104 4.256 1.00 0.00 H new ATOM 0 HB THR A 34 5.078 10.939 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.652 9.641 3.451 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.620 9.616 5.635 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.574 11.335 6.095 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.223 10.622 5.182 1.00 0.00 H new ATOM 498 N GLY A 35 3.566 12.652 1.118 1.00 0.00 N ATOM 499 CA GLY A 35 4.103 12.999 -0.187 1.00 0.00 C ATOM 500 C GLY A 35 4.940 11.852 -0.757 1.00 0.00 C ATOM 501 O GLY A 35 5.532 11.982 -1.827 1.00 0.00 O ATOM 0 H GLY A 35 2.603 12.316 1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.286 13.233 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.717 13.896 -0.105 1.00 0.00 H new ATOM 505 N LEU A 36 4.965 10.754 -0.015 1.00 0.00 N ATOM 506 CA LEU A 36 5.720 9.585 -0.433 1.00 0.00 C ATOM 507 C LEU A 36 5.160 9.071 -1.761 1.00 0.00 C ATOM 508 O LEU A 36 5.915 8.634 -2.629 1.00 0.00 O ATOM 509 CB LEU A 36 5.737 8.533 0.677 1.00 0.00 C ATOM 510 CG LEU A 36 6.724 8.778 1.820 1.00 0.00 C ATOM 511 CD1 LEU A 36 6.615 7.684 2.883 1.00 0.00 C ATOM 512 CD2 LEU A 36 8.151 8.924 1.289 1.00 0.00 C ATOM 0 H LEU A 36 4.474 10.650 0.873 1.00 0.00 H new ATOM 0 HA LEU A 36 6.764 9.847 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.734 8.462 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.963 7.565 0.229 1.00 0.00 H new ATOM 0 HG LEU A 36 6.463 9.720 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.327 7.882 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.604 7.673 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.836 6.716 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.833 9.097 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.440 8.012 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.198 9.767 0.600 1.00 0.00 H new ATOM 524 N LEU A 37 3.842 9.137 -1.877 1.00 0.00 N ATOM 525 CA LEU A 37 3.173 8.683 -3.083 1.00 0.00 C ATOM 526 C LEU A 37 2.591 9.889 -3.824 1.00 0.00 C ATOM 527 O LEU A 37 2.611 11.005 -3.310 1.00 0.00 O ATOM 528 CB LEU A 37 2.136 7.609 -2.749 1.00 0.00 C ATOM 529 CG LEU A 37 2.034 6.443 -3.735 1.00 0.00 C ATOM 530 CD1 LEU A 37 1.963 5.105 -2.997 1.00 0.00 C ATOM 531 CD2 LEU A 37 0.857 6.634 -4.691 1.00 0.00 C ATOM 0 H LEU A 37 3.219 9.499 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 37 3.886 8.207 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.365 7.205 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.158 8.086 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 37 2.940 6.428 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.891 4.293 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.861 4.974 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.086 5.093 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.808 5.791 -5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.070 6.690 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.992 7.557 -5.255 1.00 0.00 H new ATOM 543 N ASP A 38 2.088 9.623 -5.020 1.00 0.00 N ATOM 544 CA ASP A 38 1.503 10.672 -5.836 1.00 0.00 C ATOM 545 C ASP A 38 0.132 10.216 -6.340 1.00 0.00 C ATOM 546 O ASP A 38 -0.879 10.863 -6.072 1.00 0.00 O ATOM 547 CB ASP A 38 2.378 10.974 -7.055 1.00 0.00 C ATOM 548 CG ASP A 38 2.959 9.745 -7.755 1.00 0.00 C ATOM 549 OD1 ASP A 38 3.766 9.048 -7.102 1.00 0.00 O ATOM 550 OD2 ASP A 38 2.584 9.529 -8.927 1.00 0.00 O ATOM 0 H ASP A 38 2.074 8.695 -5.444 1.00 0.00 H new ATOM 0 HA ASP A 38 1.417 11.568 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.787 11.539 -7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.200 11.618 -6.743 1.00 0.00 H new ATOM 555 N SER A 39 0.142 9.104 -7.062 1.00 0.00 N ATOM 556 CA SER A 39 -1.087 8.554 -7.606 1.00 0.00 C ATOM 557 C SER A 39 -0.772 7.358 -8.506 1.00 0.00 C ATOM 558 O SER A 39 -1.509 6.373 -8.518 1.00 0.00 O ATOM 559 CB SER A 39 -1.867 9.614 -8.385 1.00 0.00 C ATOM 560 OG SER A 39 -1.042 10.308 -9.316 1.00 0.00 O ATOM 0 H SER A 39 0.982 8.570 -7.282 1.00 0.00 H new ATOM 0 HA SER A 39 -1.710 8.221 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.692 9.139 -8.916 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.305 10.327 -7.687 1.00 0.00 H new ATOM 0 HG SER A 39 -1.578 10.975 -9.794 1.00 0.00 H new ATOM 566 N MET A 40 0.325 7.482 -9.239 1.00 0.00 N ATOM 567 CA MET A 40 0.746 6.423 -10.141 1.00 0.00 C ATOM 568 C MET A 40 1.419 5.285 -9.372 1.00 0.00 C ATOM 569 O MET A 40 1.403 4.138 -9.815 1.00 0.00 O ATOM 570 CB MET A 40 1.723 6.990 -11.173 1.00 0.00 C ATOM 571 CG MET A 40 2.160 5.911 -12.166 1.00 0.00 C ATOM 572 SD MET A 40 1.988 6.513 -13.837 1.00 0.00 S ATOM 573 CE MET A 40 0.523 5.623 -14.338 1.00 0.00 C ATOM 0 H MET A 40 0.935 8.299 -9.227 1.00 0.00 H new ATOM 0 HA MET A 40 -0.136 6.026 -10.643 1.00 0.00 H new ATOM 0 HB2 MET A 40 1.253 7.814 -11.710 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.597 7.398 -10.666 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.196 5.629 -11.977 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.556 5.014 -12.030 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.273 5.884 -15.366 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.708 4.551 -14.270 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.307 5.890 -13.684 1.00 0.00 H new ATOM 583 N GLY A 41 1.995 5.642 -8.234 1.00 0.00 N ATOM 584 CA GLY A 41 2.673 4.664 -7.400 1.00 0.00 C ATOM 585 C GLY A 41 1.739 3.507 -7.041 1.00 0.00 C ATOM 586 O GLY A 41 2.111 2.341 -7.168 1.00 0.00 O ATOM 0 H GLY A 41 2.006 6.595 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.549 4.280 -7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.031 5.143 -6.489 1.00 0.00 H new ATOM 590 N THR A 42 0.542 3.869 -6.601 1.00 0.00 N ATOM 591 CA THR A 42 -0.449 2.877 -6.223 1.00 0.00 C ATOM 592 C THR A 42 -0.703 1.909 -7.381 1.00 0.00 C ATOM 593 O THR A 42 -0.780 0.699 -7.178 1.00 0.00 O ATOM 594 CB THR A 42 -1.706 3.614 -5.761 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.814 3.285 -4.379 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.983 3.042 -6.382 1.00 0.00 C ATOM 0 H THR A 42 0.237 4.837 -6.498 1.00 0.00 H new ATOM 0 HA THR A 42 -0.095 2.261 -5.396 1.00 0.00 H new ATOM 0 HB THR A 42 -1.621 4.670 -6.016 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.604 3.724 -3.999 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.846 3.602 -6.020 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.927 3.122 -7.468 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.087 1.994 -6.101 1.00 0.00 H new ATOM 604 N VAL A 43 -0.826 2.480 -8.570 1.00 0.00 N ATOM 605 CA VAL A 43 -1.069 1.684 -9.762 1.00 0.00 C ATOM 606 C VAL A 43 -0.022 0.572 -9.849 1.00 0.00 C ATOM 607 O VAL A 43 -0.367 -0.603 -9.959 1.00 0.00 O ATOM 608 CB VAL A 43 -1.090 2.584 -10.998 1.00 0.00 C ATOM 609 CG1 VAL A 43 -1.241 1.757 -12.276 1.00 0.00 C ATOM 610 CG2 VAL A 43 -2.196 3.636 -10.891 1.00 0.00 C ATOM 0 H VAL A 43 -0.762 3.485 -8.734 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.047 1.206 -9.709 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.135 3.106 -11.049 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.253 2.421 -13.140 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.404 1.065 -12.362 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.174 1.195 -12.238 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.189 4.263 -11.783 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.163 3.140 -10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.025 4.255 -10.011 1.00 0.00 H new ATOM 620 N GLN A 44 1.237 0.982 -9.797 1.00 0.00 N ATOM 621 CA GLN A 44 2.337 0.036 -9.870 1.00 0.00 C ATOM 622 C GLN A 44 2.220 -0.999 -8.748 1.00 0.00 C ATOM 623 O GLN A 44 2.167 -2.200 -9.010 1.00 0.00 O ATOM 624 CB GLN A 44 3.685 0.756 -9.813 1.00 0.00 C ATOM 625 CG GLN A 44 4.837 -0.214 -10.085 1.00 0.00 C ATOM 626 CD GLN A 44 5.999 0.496 -10.781 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.365 1.613 -10.453 1.00 0.00 O ATOM 628 NE2 GLN A 44 6.557 -0.211 -11.759 1.00 0.00 N ATOM 0 H GLN A 44 1.520 1.958 -9.705 1.00 0.00 H new ATOM 0 HA GLN A 44 2.281 -0.484 -10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.702 1.562 -10.547 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.815 1.215 -8.833 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.181 -0.648 -9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.485 -1.037 -10.706 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.202 -1.141 -11.983 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.340 0.176 -12.285 1.00 0.00 H new ATOM 637 N LEU A 45 2.184 -0.495 -7.523 1.00 0.00 N ATOM 638 CA LEU A 45 2.075 -1.361 -6.361 1.00 0.00 C ATOM 639 C LEU A 45 1.025 -2.440 -6.631 1.00 0.00 C ATOM 640 O LEU A 45 1.225 -3.605 -6.291 1.00 0.00 O ATOM 641 CB LEU A 45 1.801 -0.536 -5.102 1.00 0.00 C ATOM 642 CG LEU A 45 0.533 -0.899 -4.327 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.645 -2.296 -3.715 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.211 0.164 -3.274 1.00 0.00 C ATOM 0 H LEU A 45 2.228 0.502 -7.310 1.00 0.00 H new ATOM 0 HA LEU A 45 3.019 -1.874 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.655 -0.638 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.742 0.515 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.301 -0.921 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.270 -2.529 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.792 -3.030 -4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.493 -2.327 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.695 -0.118 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.040 0.242 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.058 1.126 -3.763 1.00 0.00 H new ATOM 656 N LEU A 46 -0.071 -2.015 -7.241 1.00 0.00 N ATOM 657 CA LEU A 46 -1.154 -2.930 -7.560 1.00 0.00 C ATOM 658 C LEU A 46 -0.613 -4.068 -8.426 1.00 0.00 C ATOM 659 O LEU A 46 -0.939 -5.233 -8.201 1.00 0.00 O ATOM 660 CB LEU A 46 -2.323 -2.175 -8.195 1.00 0.00 C ATOM 661 CG LEU A 46 -3.558 -1.986 -7.312 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.492 -0.923 -7.895 1.00 0.00 C ATOM 663 CD2 LEU A 46 -4.278 -3.317 -7.083 1.00 0.00 C ATOM 0 H LEU A 46 -0.233 -1.048 -7.523 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.553 -3.382 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.969 -1.192 -8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.624 -2.705 -9.098 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.228 -1.626 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.362 -0.808 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.963 0.028 -7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.817 -1.230 -8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.152 -3.154 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.594 -3.729 -8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.602 -4.017 -6.592 1.00 0.00 H new ATOM 675 N LEU A 47 0.203 -3.693 -9.400 1.00 0.00 N ATOM 676 CA LEU A 47 0.792 -4.669 -10.302 1.00 0.00 C ATOM 677 C LEU A 47 1.472 -5.768 -9.483 1.00 0.00 C ATOM 678 O LEU A 47 1.351 -6.950 -9.802 1.00 0.00 O ATOM 679 CB LEU A 47 1.723 -3.981 -11.302 1.00 0.00 C ATOM 680 CG LEU A 47 1.803 -4.617 -12.691 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.424 -6.013 -12.621 1.00 0.00 C ATOM 682 CD2 LEU A 47 0.430 -4.632 -13.366 1.00 0.00 C ATOM 0 H LEU A 47 0.471 -2.726 -9.585 1.00 0.00 H new ATOM 0 HA LEU A 47 0.019 -5.150 -10.901 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.400 -2.946 -11.416 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.726 -3.957 -10.877 1.00 0.00 H new ATOM 0 HG LEU A 47 2.459 -4.005 -13.310 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.469 -6.442 -13.622 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.431 -5.943 -12.211 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.815 -6.650 -11.980 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.514 -5.089 -14.352 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.268 -5.207 -12.758 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.064 -3.610 -13.470 1.00 0.00 H new ATOM 694 N GLU A 48 2.172 -5.339 -8.443 1.00 0.00 N ATOM 695 CA GLU A 48 2.872 -6.272 -7.577 1.00 0.00 C ATOM 696 C GLU A 48 1.914 -6.844 -6.529 1.00 0.00 C ATOM 697 O GLU A 48 2.196 -7.877 -5.924 1.00 0.00 O ATOM 698 CB GLU A 48 4.077 -5.605 -6.912 1.00 0.00 C ATOM 699 CG GLU A 48 5.387 -6.226 -7.401 1.00 0.00 C ATOM 700 CD GLU A 48 5.772 -5.682 -8.778 1.00 0.00 C ATOM 701 OE1 GLU A 48 4.947 -5.843 -9.703 1.00 0.00 O ATOM 702 OE2 GLU A 48 6.883 -5.117 -8.875 1.00 0.00 O ATOM 0 H GLU A 48 2.269 -4.358 -8.181 1.00 0.00 H new ATOM 0 HA GLU A 48 3.245 -7.094 -8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.073 -4.537 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.003 -5.709 -5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.183 -6.014 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.283 -7.310 -7.450 1.00 0.00 H new ATOM 709 N LEU A 49 0.803 -6.146 -6.346 1.00 0.00 N ATOM 710 CA LEU A 49 -0.197 -6.571 -5.382 1.00 0.00 C ATOM 711 C LEU A 49 -1.146 -7.571 -6.046 1.00 0.00 C ATOM 712 O LEU A 49 -1.978 -8.181 -5.375 1.00 0.00 O ATOM 713 CB LEU A 49 -0.908 -5.358 -4.776 1.00 0.00 C ATOM 714 CG LEU A 49 -1.166 -5.415 -3.270 1.00 0.00 C ATOM 715 CD1 LEU A 49 0.149 -5.431 -2.488 1.00 0.00 C ATOM 716 CD2 LEU A 49 -2.083 -4.273 -2.828 1.00 0.00 C ATOM 0 H LEU A 49 0.573 -5.289 -6.849 1.00 0.00 H new ATOM 0 HA LEU A 49 0.275 -7.085 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.314 -4.470 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.864 -5.231 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.683 -6.348 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.063 -5.472 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.733 -6.306 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.716 -4.527 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.251 -4.336 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.615 -3.318 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.037 -4.350 -3.349 1.00 0.00 H new ATOM 728 N GLN A 50 -0.989 -7.709 -7.354 1.00 0.00 N ATOM 729 CA GLN A 50 -1.822 -8.624 -8.115 1.00 0.00 C ATOM 730 C GLN A 50 -0.972 -9.756 -8.696 1.00 0.00 C ATOM 731 O GLN A 50 -1.426 -10.492 -9.571 1.00 0.00 O ATOM 732 CB GLN A 50 -2.581 -7.886 -9.219 1.00 0.00 C ATOM 733 CG GLN A 50 -3.524 -8.833 -9.965 1.00 0.00 C ATOM 734 CD GLN A 50 -4.651 -8.059 -10.649 1.00 0.00 C ATOM 735 OE1 GLN A 50 -4.711 -7.941 -11.862 1.00 0.00 O ATOM 736 NE2 GLN A 50 -5.539 -7.540 -9.806 1.00 0.00 N ATOM 0 H GLN A 50 -0.297 -7.202 -7.906 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.560 -9.059 -7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.152 -7.065 -8.786 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.872 -7.446 -9.921 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.963 -9.399 -10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.946 -9.556 -9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.429 -7.677 -8.801 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.330 -7.005 -10.164 1.00 0.00 H new ATOM 745 N SER A 51 0.247 -9.859 -8.187 1.00 0.00 N ATOM 746 CA SER A 51 1.165 -10.889 -8.645 1.00 0.00 C ATOM 747 C SER A 51 1.597 -11.765 -7.468 1.00 0.00 C ATOM 748 O SER A 51 1.438 -12.984 -7.505 1.00 0.00 O ATOM 749 CB SER A 51 2.388 -10.273 -9.325 1.00 0.00 C ATOM 750 OG SER A 51 2.972 -11.159 -10.277 1.00 0.00 O ATOM 0 H SER A 51 0.621 -9.246 -7.462 1.00 0.00 H new ATOM 0 HA SER A 51 0.648 -11.507 -9.379 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.099 -9.347 -9.821 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.130 -10.012 -8.570 1.00 0.00 H new ATOM 0 HG SER A 51 3.749 -10.729 -10.691 1.00 0.00 H new ATOM 756 N GLN A 52 2.136 -11.109 -6.450 1.00 0.00 N ATOM 757 CA GLN A 52 2.594 -11.814 -5.264 1.00 0.00 C ATOM 758 C GLN A 52 1.426 -12.049 -4.303 1.00 0.00 C ATOM 759 O GLN A 52 1.455 -12.981 -3.501 1.00 0.00 O ATOM 760 CB GLN A 52 3.725 -11.049 -4.574 1.00 0.00 C ATOM 761 CG GLN A 52 4.919 -10.870 -5.514 1.00 0.00 C ATOM 762 CD GLN A 52 6.234 -10.861 -4.733 1.00 0.00 C ATOM 763 OE1 GLN A 52 6.546 -9.935 -4.002 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.986 -11.941 -4.926 1.00 0.00 N ATOM 0 H GLN A 52 2.266 -10.098 -6.422 1.00 0.00 H new ATOM 0 HA GLN A 52 2.989 -12.783 -5.570 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.364 -10.073 -4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.039 -11.586 -3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.933 -11.676 -6.248 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.814 -9.937 -6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.666 -12.680 -5.552 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.883 -12.030 -4.448 1.00 0.00 H new ATOM 773 N PHE A 53 0.425 -11.187 -4.417 1.00 0.00 N ATOM 774 CA PHE A 53 -0.751 -11.291 -3.569 1.00 0.00 C ATOM 775 C PHE A 53 -2.001 -11.590 -4.399 1.00 0.00 C ATOM 776 O PHE A 53 -2.990 -12.103 -3.876 1.00 0.00 O ATOM 777 CB PHE A 53 -0.923 -9.936 -2.879 1.00 0.00 C ATOM 778 CG PHE A 53 0.382 -9.335 -2.352 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.297 -8.831 -3.222 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.626 -9.306 -1.015 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.507 -8.272 -2.733 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.837 -8.748 -0.526 1.00 0.00 C ATOM 783 CZ PHE A 53 2.752 -8.243 -1.395 1.00 0.00 C ATOM 0 H PHE A 53 0.404 -10.415 -5.083 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.623 -12.101 -2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.375 -9.237 -3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.620 -10.049 -2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.104 -8.856 -4.284 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.101 -9.707 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.233 -7.870 -3.424 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.031 -8.725 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.673 -7.819 -1.024 1.00 0.00 H new ATOM 793 N GLY A 54 -1.917 -11.257 -5.678 1.00 0.00 N ATOM 794 CA GLY A 54 -3.029 -11.484 -6.586 1.00 0.00 C ATOM 795 C GLY A 54 -4.312 -10.846 -6.050 1.00 0.00 C ATOM 796 O GLY A 54 -5.366 -11.481 -6.034 1.00 0.00 O ATOM 0 H GLY A 54 -1.096 -10.831 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.794 -11.069 -7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.180 -12.555 -6.721 1.00 0.00 H new ATOM 800 N VAL A 55 -4.181 -9.598 -5.624 1.00 0.00 N ATOM 801 CA VAL A 55 -5.318 -8.867 -5.089 1.00 0.00 C ATOM 802 C VAL A 55 -6.161 -8.326 -6.244 1.00 0.00 C ATOM 803 O VAL A 55 -5.672 -8.193 -7.365 1.00 0.00 O ATOM 804 CB VAL A 55 -4.834 -7.771 -4.137 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.083 -6.677 -4.899 1.00 0.00 C ATOM 806 CG2 VAL A 55 -6.000 -7.182 -3.340 1.00 0.00 C ATOM 0 H VAL A 55 -3.306 -9.075 -5.638 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.956 -9.529 -4.504 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.140 -8.224 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.750 -5.910 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.218 -7.111 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.745 -6.229 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.628 -6.406 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.729 -6.751 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.474 -7.969 -2.754 1.00 0.00 H new ATOM 816 N ASP A 56 -7.413 -8.027 -5.933 1.00 0.00 N ATOM 817 CA ASP A 56 -8.329 -7.503 -6.931 1.00 0.00 C ATOM 818 C ASP A 56 -8.912 -6.177 -6.437 1.00 0.00 C ATOM 819 O ASP A 56 -9.589 -6.136 -5.411 1.00 0.00 O ATOM 820 CB ASP A 56 -9.492 -8.469 -7.173 1.00 0.00 C ATOM 821 CG ASP A 56 -10.564 -7.960 -8.138 1.00 0.00 C ATOM 822 OD1 ASP A 56 -10.280 -6.956 -8.825 1.00 0.00 O ATOM 823 OD2 ASP A 56 -11.646 -8.587 -8.166 1.00 0.00 O ATOM 0 H ASP A 56 -7.815 -8.138 -5.002 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.774 -7.367 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.092 -9.406 -7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.963 -8.694 -6.216 1.00 0.00 H new ATOM 828 N ALA A 57 -8.627 -5.126 -7.191 1.00 0.00 N ATOM 829 CA ALA A 57 -9.114 -3.802 -6.843 1.00 0.00 C ATOM 830 C ALA A 57 -9.186 -2.941 -8.106 1.00 0.00 C ATOM 831 O ALA A 57 -8.569 -3.266 -9.120 1.00 0.00 O ATOM 832 CB ALA A 57 -8.208 -3.190 -5.772 1.00 0.00 C ATOM 0 H ALA A 57 -8.065 -5.164 -8.041 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.119 -3.861 -6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.573 -2.197 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.214 -3.824 -4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.191 -3.113 -6.156 1.00 0.00 H new ATOM 838 N PRO A 58 -9.965 -1.832 -8.002 1.00 0.00 N ATOM 839 CA PRO A 58 -10.126 -0.922 -9.124 1.00 0.00 C ATOM 840 C PRO A 58 -8.873 -0.066 -9.320 1.00 0.00 C ATOM 841 O PRO A 58 -7.878 -0.246 -8.619 1.00 0.00 O ATOM 842 CB PRO A 58 -11.360 -0.100 -8.790 1.00 0.00 C ATOM 843 CG PRO A 58 -11.573 -0.256 -7.292 1.00 0.00 C ATOM 844 CD PRO A 58 -10.711 -1.414 -6.818 1.00 0.00 C ATOM 0 HA PRO A 58 -10.255 -1.443 -10.073 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.216 0.947 -9.057 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.228 -0.454 -9.347 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.301 0.661 -6.770 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.624 -0.447 -7.073 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.040 -1.106 -6.016 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.322 -2.228 -6.427 1.00 0.00 H new ATOM 852 N VAL A 59 -8.963 0.847 -10.275 1.00 0.00 N ATOM 853 CA VAL A 59 -7.849 1.731 -10.573 1.00 0.00 C ATOM 854 C VAL A 59 -8.388 3.083 -11.047 1.00 0.00 C ATOM 855 O VAL A 59 -7.922 4.131 -10.603 1.00 0.00 O ATOM 856 CB VAL A 59 -6.912 1.072 -11.588 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.643 1.903 -11.784 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.571 -0.360 -11.168 1.00 0.00 C ATOM 0 H VAL A 59 -9.790 0.994 -10.853 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.257 1.913 -9.676 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.432 1.027 -12.545 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.995 1.412 -12.510 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.910 2.895 -12.149 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.118 1.995 -10.833 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.904 -0.806 -11.906 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.079 -0.347 -10.195 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.486 -0.948 -11.104 1.00 0.00 H new ATOM 868 N SER A 60 -9.361 3.013 -11.942 1.00 0.00 N ATOM 869 CA SER A 60 -9.969 4.218 -12.482 1.00 0.00 C ATOM 870 C SER A 60 -10.107 5.272 -11.381 1.00 0.00 C ATOM 871 O SER A 60 -9.990 6.468 -11.644 1.00 0.00 O ATOM 872 CB SER A 60 -11.335 3.916 -13.102 1.00 0.00 C ATOM 873 OG SER A 60 -12.178 3.193 -12.209 1.00 0.00 O ATOM 0 H SER A 60 -9.744 2.141 -12.307 1.00 0.00 H new ATOM 0 HA SER A 60 -9.321 4.605 -13.269 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.821 4.851 -13.382 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.198 3.341 -14.018 1.00 0.00 H new ATOM 0 HG SER A 60 -13.041 3.021 -12.641 1.00 0.00 H new ATOM 879 N GLU A 61 -10.354 4.791 -10.172 1.00 0.00 N ATOM 880 CA GLU A 61 -10.510 5.676 -9.030 1.00 0.00 C ATOM 881 C GLU A 61 -10.541 4.868 -7.732 1.00 0.00 C ATOM 882 O GLU A 61 -11.481 4.987 -6.946 1.00 0.00 O ATOM 883 CB GLU A 61 -11.767 6.536 -9.171 1.00 0.00 C ATOM 884 CG GLU A 61 -11.416 8.027 -9.158 1.00 0.00 C ATOM 885 CD GLU A 61 -12.626 8.871 -8.754 1.00 0.00 C ATOM 886 OE1 GLU A 61 -13.035 8.751 -7.579 1.00 0.00 O ATOM 887 OE2 GLU A 61 -13.115 9.616 -9.630 1.00 0.00 O ATOM 0 H GLU A 61 -10.450 3.798 -9.958 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.652 6.348 -8.996 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.280 6.287 -10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.457 6.314 -8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.595 8.205 -8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.069 8.331 -10.145 1.00 0.00 H new ATOM 894 N PHE A 62 -9.505 4.064 -7.547 1.00 0.00 N ATOM 895 CA PHE A 62 -9.403 3.236 -6.357 1.00 0.00 C ATOM 896 C PHE A 62 -9.552 4.079 -5.088 1.00 0.00 C ATOM 897 O PHE A 62 -9.296 5.282 -5.104 1.00 0.00 O ATOM 898 CB PHE A 62 -8.011 2.601 -6.373 1.00 0.00 C ATOM 899 CG PHE A 62 -6.865 3.613 -6.427 1.00 0.00 C ATOM 900 CD1 PHE A 62 -6.626 4.427 -5.363 1.00 0.00 C ATOM 901 CD2 PHE A 62 -6.086 3.699 -7.538 1.00 0.00 C ATOM 902 CE1 PHE A 62 -5.563 5.368 -5.414 1.00 0.00 C ATOM 903 CE2 PHE A 62 -5.023 4.639 -7.588 1.00 0.00 C ATOM 904 CZ PHE A 62 -4.784 5.453 -6.526 1.00 0.00 C ATOM 0 H PHE A 62 -8.728 3.968 -8.201 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.193 2.485 -6.357 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.895 1.983 -5.483 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.936 1.937 -7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.244 4.358 -4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.276 3.053 -8.382 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.373 6.015 -4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.404 4.707 -8.470 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.975 6.168 -6.565 1.00 0.00 H new ATOM 914 N ASP A 63 -9.965 3.414 -4.020 1.00 0.00 N ATOM 915 CA ASP A 63 -10.151 4.087 -2.746 1.00 0.00 C ATOM 916 C ASP A 63 -8.787 4.491 -2.183 1.00 0.00 C ATOM 917 O ASP A 63 -8.240 3.808 -1.318 1.00 0.00 O ATOM 918 CB ASP A 63 -10.827 3.163 -1.729 1.00 0.00 C ATOM 919 CG ASP A 63 -12.311 3.445 -1.486 1.00 0.00 C ATOM 920 OD1 ASP A 63 -12.654 4.644 -1.401 1.00 0.00 O ATOM 921 OD2 ASP A 63 -13.067 2.455 -1.390 1.00 0.00 O ATOM 0 H ASP A 63 -10.176 2.416 -4.010 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.780 4.961 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.719 2.133 -2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.297 3.243 -0.780 1.00 0.00 H new ATOM 926 N ARG A 64 -8.276 5.600 -2.697 1.00 0.00 N ATOM 927 CA ARG A 64 -6.987 6.104 -2.258 1.00 0.00 C ATOM 928 C ARG A 64 -6.913 6.111 -0.730 1.00 0.00 C ATOM 929 O ARG A 64 -5.836 5.954 -0.155 1.00 0.00 O ATOM 930 CB ARG A 64 -6.741 7.521 -2.780 1.00 0.00 C ATOM 931 CG ARG A 64 -7.957 8.416 -2.530 1.00 0.00 C ATOM 932 CD ARG A 64 -7.737 9.310 -1.307 1.00 0.00 C ATOM 933 NE ARG A 64 -9.037 9.649 -0.688 1.00 0.00 N ATOM 934 CZ ARG A 64 -9.921 10.506 -1.216 1.00 0.00 C ATOM 935 NH1 ARG A 64 -9.650 11.115 -2.378 1.00 0.00 N ATOM 936 NH2 ARG A 64 -11.076 10.752 -0.583 1.00 0.00 N ATOM 0 H ARG A 64 -8.732 6.164 -3.414 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.219 5.443 -2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.865 7.946 -2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.524 7.487 -3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.145 9.034 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.843 7.799 -2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.102 8.800 -0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.216 10.221 -1.601 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.276 9.202 0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.771 10.926 -2.860 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.323 11.768 -2.781 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.282 10.287 0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.749 11.405 -0.985 1.00 0.00 H new ATOM 950 N LYS A 65 -8.071 6.296 -0.114 1.00 0.00 N ATOM 951 CA LYS A 65 -8.151 6.325 1.337 1.00 0.00 C ATOM 952 C LYS A 65 -7.645 4.995 1.899 1.00 0.00 C ATOM 953 O LYS A 65 -7.043 4.959 2.970 1.00 0.00 O ATOM 954 CB LYS A 65 -9.569 6.685 1.787 1.00 0.00 C ATOM 955 CG LYS A 65 -9.857 6.132 3.186 1.00 0.00 C ATOM 956 CD LYS A 65 -10.730 7.098 3.988 1.00 0.00 C ATOM 957 CE LYS A 65 -9.915 7.801 5.075 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.505 7.550 6.409 1.00 0.00 N ATOM 0 H LYS A 65 -8.962 6.427 -0.593 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.506 7.106 1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.690 7.768 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.293 6.284 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.357 5.167 3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.919 5.961 3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.167 7.840 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.557 6.553 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.885 7.445 5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.885 8.873 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.940 8.034 7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.480 7.911 6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.511 6.528 6.599 1.00 0.00 H new ATOM 972 N GLU A 66 -7.910 3.934 1.151 1.00 0.00 N ATOM 973 CA GLU A 66 -7.490 2.605 1.560 1.00 0.00 C ATOM 974 C GLU A 66 -6.032 2.364 1.161 1.00 0.00 C ATOM 975 O GLU A 66 -5.335 1.572 1.795 1.00 0.00 O ATOM 976 CB GLU A 66 -8.406 1.534 0.968 1.00 0.00 C ATOM 977 CG GLU A 66 -7.874 0.130 1.269 1.00 0.00 C ATOM 978 CD GLU A 66 -9.001 -0.904 1.226 1.00 0.00 C ATOM 979 OE1 GLU A 66 -9.627 -1.017 0.149 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.212 -1.558 2.270 1.00 0.00 O ATOM 0 H GLU A 66 -8.411 3.968 0.263 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.565 2.539 2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.410 1.642 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.485 1.673 -0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.105 -0.135 0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.403 0.119 2.252 1.00 0.00 H new ATOM 987 N TRP A 67 -5.615 3.060 0.114 1.00 0.00 N ATOM 988 CA TRP A 67 -4.254 2.930 -0.376 1.00 0.00 C ATOM 989 C TRP A 67 -3.468 4.162 0.079 1.00 0.00 C ATOM 990 O TRP A 67 -2.431 4.488 -0.496 1.00 0.00 O ATOM 991 CB TRP A 67 -4.235 2.736 -1.894 1.00 0.00 C ATOM 992 CG TRP A 67 -5.322 1.794 -2.414 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.538 2.113 -2.876 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.241 0.356 -2.509 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.245 0.992 -3.260 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.430 -0.111 -3.030 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.197 -0.521 -2.166 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -6.689 -1.469 -3.254 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.471 -1.875 -2.396 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.664 -2.361 -2.919 1.00 0.00 C ATOM 0 H TRP A 67 -6.196 3.716 -0.409 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.778 2.041 0.038 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.349 3.707 -2.376 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.260 2.347 -2.188 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.918 3.122 -2.940 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.191 0.975 -3.642 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.258 -0.178 -1.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.629 -1.809 -3.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.702 -2.592 -2.150 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.799 -3.422 -3.066 1.00 0.00 H new ATOM 1011 N ASP A 68 -3.992 4.812 1.107 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.353 6.000 1.646 1.00 0.00 C ATOM 1013 C ASP A 68 -2.477 5.607 2.837 1.00 0.00 C ATOM 1014 O ASP A 68 -1.473 6.260 3.117 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.392 7.010 2.136 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.901 7.967 3.225 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.734 8.401 3.115 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.703 8.241 4.143 1.00 0.00 O ATOM 0 H ASP A 68 -4.853 4.538 1.581 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.757 6.452 0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.735 7.598 1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.256 6.465 2.515 1.00 0.00 H new ATOM 1023 N THR A 69 -2.890 4.542 3.507 1.00 0.00 N ATOM 1024 CA THR A 69 -2.156 4.053 4.662 1.00 0.00 C ATOM 1025 C THR A 69 -1.657 2.628 4.415 1.00 0.00 C ATOM 1026 O THR A 69 -2.198 1.916 3.570 1.00 0.00 O ATOM 1027 CB THR A 69 -3.065 4.175 5.888 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.382 4.086 5.352 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.013 5.567 6.519 1.00 0.00 C ATOM 0 H THR A 69 -3.724 4.003 3.272 1.00 0.00 H new ATOM 0 HA THR A 69 -1.262 4.649 4.842 1.00 0.00 H new ATOM 0 HB THR A 69 -2.777 3.430 6.630 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.022 4.463 5.992 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.675 5.599 7.384 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.993 5.785 6.835 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.334 6.310 5.789 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.606 2.244 5.187 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.029 0.917 5.059 1.00 0.00 C ATOM 1039 C PRO A 70 -0.931 -0.138 5.704 1.00 0.00 C ATOM 1040 O PRO A 70 -0.903 -1.304 5.315 1.00 0.00 O ATOM 1041 CB PRO A 70 1.336 1.016 5.722 1.00 0.00 C ATOM 1042 CG PRO A 70 1.284 2.255 6.601 1.00 0.00 C ATOM 1043 CD PRO A 70 0.059 3.061 6.198 1.00 0.00 C ATOM 0 HA PRO A 70 0.069 0.599 4.021 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.548 0.126 6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.127 1.099 4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.228 1.975 7.653 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.190 2.849 6.477 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.594 3.243 7.052 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.340 4.035 5.798 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.709 0.312 6.678 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.619 -0.579 7.379 1.00 0.00 C ATOM 1053 C ASN A 71 -3.828 -0.871 6.489 1.00 0.00 C ATOM 1054 O ASN A 71 -4.164 -2.031 6.253 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.127 0.061 8.672 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.665 -0.733 9.896 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.166 -1.842 9.797 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.857 -0.104 11.052 1.00 0.00 N ATOM 0 H ASN A 71 -1.728 1.280 6.998 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.078 -1.495 7.617 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.764 1.086 8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.216 0.109 8.655 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.581 -0.549 11.927 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.280 0.824 11.064 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.449 0.200 6.020 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.614 0.073 5.161 1.00 0.00 C ATOM 1067 C LYS A 72 -5.266 -0.817 3.965 1.00 0.00 C ATOM 1068 O LYS A 72 -6.141 -1.466 3.395 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.143 1.454 4.766 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.416 1.796 5.544 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.717 3.294 5.468 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.645 3.939 6.855 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.644 3.330 7.762 1.00 0.00 N ATOM 0 H LYS A 72 -4.168 1.160 6.218 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.429 -0.414 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.380 2.209 4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.349 1.476 3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.256 1.231 5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.302 1.496 6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.004 3.778 4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.708 3.448 5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.645 3.814 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.824 5.011 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.964 4.039 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.457 2.994 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.213 2.528 8.265 1.00 0.00 H new ATOM 1087 N ILE A 73 -3.987 -0.816 3.621 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.513 -1.615 2.504 1.00 0.00 C ATOM 1089 C ILE A 73 -3.315 -3.061 2.963 1.00 0.00 C ATOM 1090 O ILE A 73 -3.888 -3.984 2.385 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.259 -0.988 1.891 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.612 0.256 1.073 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.479 -2.015 1.066 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.364 0.858 0.424 1.00 0.00 C ATOM 0 H ILE A 73 -3.264 -0.275 4.096 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.256 -1.632 1.707 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.607 -0.665 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.337 -0.005 0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.085 0.997 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.593 -1.543 0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.177 -2.843 1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.111 -2.391 0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.643 1.741 -0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.651 1.140 1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.908 0.122 -0.238 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.503 -3.213 3.999 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.223 -4.531 4.543 1.00 0.00 C ATOM 1108 C ILE A 74 -3.539 -5.284 4.747 1.00 0.00 C ATOM 1109 O ILE A 74 -3.559 -6.514 4.761 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.377 -4.418 5.812 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.116 -4.389 5.476 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.719 -5.534 6.801 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.914 -3.700 6.584 1.00 0.00 C ATOM 0 H ILE A 74 -2.030 -2.445 4.476 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.627 -5.114 3.841 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.617 -3.472 6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.481 -5.407 5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.270 -3.865 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.103 -5.430 7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.772 -5.466 7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.526 -6.502 6.338 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.972 -3.693 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.563 -2.675 6.702 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.777 -4.240 7.521 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.607 -4.515 4.898 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.924 -5.094 5.099 1.00 0.00 C ATOM 1127 C ALA A 75 -6.523 -5.474 3.744 1.00 0.00 C ATOM 1128 O ALA A 75 -7.185 -6.503 3.619 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.803 -4.107 5.869 1.00 0.00 C ATOM 0 H ALA A 75 -4.587 -3.495 4.885 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.856 -6.004 5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.791 -4.541 6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.349 -3.893 6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.896 -3.182 5.300 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.270 -4.621 2.761 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.776 -4.854 1.419 1.00 0.00 C ATOM 1137 C LYS A 76 -6.087 -6.084 0.826 1.00 0.00 C ATOM 1138 O LYS A 76 -6.700 -6.840 0.073 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.626 -3.594 0.565 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.480 -3.686 -0.702 1.00 0.00 C ATOM 1141 CD LYS A 76 -8.964 -3.817 -0.354 1.00 0.00 C ATOM 1142 CE LYS A 76 -9.843 -3.370 -1.523 1.00 0.00 C ATOM 1143 NZ LYS A 76 -10.546 -4.530 -2.116 1.00 0.00 N ATOM 0 H LYS A 76 -5.721 -3.768 2.868 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.844 -5.068 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.922 -2.720 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.579 -3.457 0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.324 -2.799 -1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.165 -4.544 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.191 -4.852 -0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.189 -3.215 0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.570 -2.634 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.230 -2.882 -2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.138 -4.209 -2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.848 -5.219 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.146 -4.978 -1.394 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.823 -6.249 1.187 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.046 -7.376 0.701 1.00 0.00 C ATOM 1159 C VAL A 77 -4.456 -8.639 1.459 1.00 0.00 C ATOM 1160 O VAL A 77 -4.435 -9.735 0.903 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.551 -7.067 0.815 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.725 -8.356 0.824 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.096 -6.133 -0.307 1.00 0.00 C ATOM 0 H VAL A 77 -4.317 -5.620 1.811 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.249 -7.553 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.386 -6.555 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.666 -8.109 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.021 -8.972 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.899 -8.906 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.030 -5.930 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.282 -6.605 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.651 -5.197 -0.249 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.819 -8.443 2.718 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.233 -9.554 3.559 1.00 0.00 C ATOM 1175 C GLU A 78 -6.678 -9.945 3.246 1.00 0.00 C ATOM 1176 O GLU A 78 -7.076 -11.089 3.466 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.066 -9.211 5.041 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.603 -9.328 5.469 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.382 -10.575 6.329 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.730 -11.671 5.840 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.870 -10.403 7.456 1.00 0.00 O ATOM 0 H GLU A 78 -4.835 -7.532 3.176 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.591 -10.408 3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.423 -8.198 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.680 -9.880 5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.965 -9.372 4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.312 -8.439 6.029 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.424 -8.976 2.738 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.817 -9.206 2.391 1.00 0.00 C ATOM 1190 C GLN A 79 -8.936 -9.637 0.928 1.00 0.00 C ATOM 1191 O GLN A 79 -9.996 -9.495 0.320 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.662 -7.962 2.667 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.240 -7.994 4.084 1.00 0.00 C ATOM 1194 CD GLN A 79 -10.939 -6.675 4.422 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -11.412 -5.954 3.558 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -10.977 -6.401 5.722 1.00 0.00 N ATOM 0 H GLN A 79 -7.091 -8.029 2.558 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.199 -10.011 3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.052 -7.068 2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.473 -7.900 1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.948 -8.818 4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.441 -8.181 4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.562 -7.048 6.392 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.422 -5.543 6.050 1.00 0.00 H new ATOM 1205 N ALA A 80 -7.835 -10.156 0.406 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.803 -10.608 -0.975 1.00 0.00 C ATOM 1207 C ALA A 80 -7.462 -12.100 -1.010 1.00 0.00 C ATOM 1208 O ALA A 80 -8.157 -12.884 -1.654 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.803 -9.763 -1.767 1.00 0.00 C ATOM 0 H ALA A 80 -6.958 -10.274 0.914 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.779 -10.481 -1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.780 -10.103 -2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.105 -8.716 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.811 -9.867 -1.328 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.392 -12.446 -0.309 1.00 0.00 N ATOM 1216 CA GLN A 81 -5.951 -13.829 -0.252 1.00 0.00 C ATOM 1217 C GLN A 81 -7.151 -14.763 -0.090 1.00 0.00 C ATOM 1218 O GLN A 81 -7.550 -15.438 -1.038 1.00 0.00 O ATOM 1219 CB GLN A 81 -4.938 -14.035 0.877 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.763 -13.064 0.744 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.295 -12.966 -0.709 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.590 -13.821 -1.220 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.724 -11.878 -1.344 1.00 0.00 N ATOM 0 H GLN A 81 -5.818 -11.793 0.224 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.453 -14.070 -1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.427 -13.890 1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.570 -15.061 0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.059 -12.078 1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.938 -13.397 1.374 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.312 -11.202 -0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.465 -11.720 -2.318 1.00 0.00 H new TER 1232 GLN A 81