USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 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 50 THR OG1 : rot -101:sc= 1.23 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 1 USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 38 ASN : amide:sc= -0.802 X(o=-0.8,f=-0.31) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.77 (180deg=1.75) USER MOD Single : A 3 THR OG1 : rot 42:sc= 0.122 USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.114 K(o=-0.11,f=-4.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -37:sc= 0.126 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.981 X(o=-0.98,f=-1.3) USER MOD Single : A 36 ASN : amide:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 178:sc= 1.31 USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.12) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.157 1.141 1.895 1.00 0.00 N ATOM 2 CA MET A 1 -15.811 0.354 0.701 1.00 0.00 C ATOM 3 C MET A 1 -15.293 -1.011 1.100 1.00 0.00 C ATOM 4 O MET A 1 -15.888 -2.028 0.727 1.00 0.00 O ATOM 5 CB MET A 1 -14.826 1.067 -0.231 1.00 0.00 C ATOM 6 CG MET A 1 -15.390 1.015 -1.648 1.00 0.00 C ATOM 7 SD MET A 1 -17.010 1.810 -1.815 1.00 0.00 S ATOM 8 CE MET A 1 -17.335 1.441 -3.552 1.00 0.00 C ATOM 0 H1 MET A 1 -16.574 2.048 1.604 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.843 0.614 2.472 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.299 1.318 2.455 1.00 0.00 H new ATOM 0 HA MET A 1 -16.731 0.233 0.129 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.684 2.101 0.084 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.849 0.585 -0.192 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.687 1.496 -2.328 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.472 -0.026 -1.959 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.301 1.857 -3.838 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.553 1.882 -4.170 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.348 0.361 -3.698 1.00 0.00 H new ATOM 18 N GLY A 2 -14.171 -1.069 1.817 1.00 0.00 N ATOM 19 CA GLY A 2 -13.610 -2.318 2.258 1.00 0.00 C ATOM 20 C GLY A 2 -12.280 -2.051 2.920 1.00 0.00 C ATOM 21 O GLY A 2 -11.894 -0.894 3.125 1.00 0.00 O ATOM 0 H GLY A 2 -13.637 -0.247 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.287 -2.809 2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.481 -2.993 1.412 1.00 0.00 H new ATOM 25 N THR A 3 -11.624 -3.134 3.311 1.00 0.00 N ATOM 26 CA THR A 3 -10.323 -3.090 3.936 1.00 0.00 C ATOM 27 C THR A 3 -9.306 -3.314 2.822 1.00 0.00 C ATOM 28 O THR A 3 -9.565 -4.080 1.897 1.00 0.00 O ATOM 29 CB THR A 3 -10.221 -4.078 5.113 1.00 0.00 C ATOM 30 OG1 THR A 3 -8.882 -4.217 5.552 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.737 -5.484 4.791 1.00 0.00 C ATOM 0 H THR A 3 -11.992 -4.079 3.198 1.00 0.00 H new ATOM 0 HA THR A 3 -10.126 -2.126 4.406 1.00 0.00 H new ATOM 0 HB THR A 3 -10.853 -3.642 5.887 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.453 -3.336 5.577 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.631 -6.120 5.670 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.788 -5.430 4.507 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.159 -5.904 3.967 1.00 0.00 H new ATOM 39 N TYR A 4 -8.162 -2.642 2.898 1.00 0.00 N ATOM 40 CA TYR A 4 -7.089 -2.732 1.924 1.00 0.00 C ATOM 41 C TYR A 4 -5.799 -2.844 2.734 1.00 0.00 C ATOM 42 O TYR A 4 -5.580 -2.019 3.632 1.00 0.00 O ATOM 43 CB TYR A 4 -7.148 -1.487 1.019 1.00 0.00 C ATOM 44 CG TYR A 4 -8.475 -1.280 0.286 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.689 -1.891 -0.965 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.511 -0.502 0.854 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.916 -1.741 -1.637 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.729 -0.328 0.178 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.943 -0.957 -1.063 1.00 0.00 C ATOM 50 OH TYR A 4 -12.145 -0.817 -1.679 1.00 0.00 O ATOM 0 H TYR A 4 -7.953 -2.001 3.664 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.162 -3.594 1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.945 -0.605 1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.349 -1.556 0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.903 -2.481 -1.413 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.363 -0.037 1.818 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.073 -2.224 -2.590 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.503 0.289 0.611 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.340 -1.623 -2.202 1.00 0.00 H new ATOM 60 N LYS A 5 -4.938 -3.837 2.469 1.00 0.00 N ATOM 61 CA LYS A 5 -3.691 -3.987 3.233 1.00 0.00 C ATOM 62 C LYS A 5 -2.513 -3.461 2.412 1.00 0.00 C ATOM 63 O LYS A 5 -2.448 -3.707 1.215 1.00 0.00 O ATOM 64 CB LYS A 5 -3.561 -5.446 3.668 1.00 0.00 C ATOM 65 CG LYS A 5 -2.516 -5.637 4.771 1.00 0.00 C ATOM 66 CD LYS A 5 -2.503 -7.110 5.174 1.00 0.00 C ATOM 67 CE LYS A 5 -1.605 -7.356 6.382 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.632 -8.770 6.796 1.00 0.00 N ATOM 0 H LYS A 5 -5.079 -4.539 1.742 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.699 -3.387 4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.528 -5.804 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.291 -6.056 2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.531 -5.332 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.754 -5.011 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.518 -7.434 5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.158 -7.714 4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.582 -7.066 6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.928 -6.727 7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.011 -8.903 7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.604 -9.039 7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.300 -9.368 6.012 1.00 0.00 H new ATOM 82 N LEU A 6 -1.661 -2.611 2.986 1.00 0.00 N ATOM 83 CA LEU A 6 -0.501 -2.037 2.295 1.00 0.00 C ATOM 84 C LEU A 6 0.822 -2.336 3.006 1.00 0.00 C ATOM 85 O LEU A 6 1.024 -1.827 4.095 1.00 0.00 O ATOM 86 CB LEU A 6 -0.726 -0.532 2.072 1.00 0.00 C ATOM 87 CG LEU A 6 -0.375 -0.085 0.644 1.00 0.00 C ATOM 88 CD1 LEU A 6 -0.687 1.402 0.539 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.090 -0.312 0.273 1.00 0.00 C ATOM 0 H LEU A 6 -1.756 -2.297 3.952 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.411 -2.520 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.769 -0.290 2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.122 0.031 2.783 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.964 -0.687 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.449 1.754 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.746 1.567 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.090 1.951 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.263 0.027 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.729 0.249 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.324 -1.374 0.347 1.00 0.00 H new ATOM 101 N ILE A 7 1.713 -3.133 2.434 1.00 0.00 N ATOM 102 CA ILE A 7 3.038 -3.522 2.934 1.00 0.00 C ATOM 103 C ILE A 7 4.077 -3.079 1.899 1.00 0.00 C ATOM 104 O ILE A 7 3.916 -3.316 0.703 1.00 0.00 O ATOM 105 CB ILE A 7 3.097 -5.036 3.275 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.546 -5.479 3.587 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.480 -5.924 2.179 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.639 -6.819 4.327 1.00 0.00 C ATOM 0 H ILE A 7 1.517 -3.565 1.531 1.00 0.00 H new ATOM 0 HA ILE A 7 3.258 -3.023 3.878 1.00 0.00 H new ATOM 0 HB ILE A 7 2.488 -5.173 4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.103 -5.551 2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.030 -4.709 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.551 -6.970 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.432 -5.657 2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.019 -5.774 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.686 -7.062 4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.112 -6.747 5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.186 -7.602 3.720 1.00 0.00 H new ATOM 120 N LEU A 8 5.133 -2.412 2.361 1.00 0.00 N ATOM 121 CA LEU A 8 6.215 -1.888 1.549 1.00 0.00 C ATOM 122 C LEU A 8 7.517 -2.561 1.960 1.00 0.00 C ATOM 123 O LEU A 8 7.786 -2.728 3.154 1.00 0.00 O ATOM 124 CB LEU A 8 6.339 -0.367 1.746 1.00 0.00 C ATOM 125 CG LEU A 8 5.114 0.512 1.408 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.504 0.194 0.035 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.019 0.489 2.478 1.00 0.00 C ATOM 0 H LEU A 8 5.257 -2.217 3.354 1.00 0.00 H new ATOM 0 HA LEU A 8 6.006 -2.091 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.602 -0.186 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.176 -0.019 1.141 1.00 0.00 H new ATOM 0 HG LEU A 8 5.522 1.522 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.648 0.845 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.251 0.357 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.179 -0.846 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.194 1.130 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.658 -0.531 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.425 0.852 3.422 1.00 0.00 H new ATOM 139 N ASN A 9 8.348 -2.896 0.973 1.00 0.00 N ATOM 140 CA ASN A 9 9.629 -3.552 1.175 1.00 0.00 C ATOM 141 C ASN A 9 10.723 -2.726 0.515 1.00 0.00 C ATOM 142 O ASN A 9 11.033 -2.929 -0.661 1.00 0.00 O ATOM 143 CB ASN A 9 9.626 -5.000 0.656 1.00 0.00 C ATOM 144 CG ASN A 9 8.531 -5.860 1.265 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.669 -6.363 2.379 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.441 -6.054 0.544 1.00 0.00 N ATOM 0 H ASN A 9 8.140 -2.713 -0.009 1.00 0.00 H new ATOM 0 HA ASN A 9 9.822 -3.614 2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.508 -4.989 -0.428 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.594 -5.455 0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.685 -6.634 0.908 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.355 -5.624 -0.377 1.00 0.00 H new ATOM 153 N GLY A 10 11.261 -1.752 1.245 1.00 0.00 N ATOM 154 CA GLY A 10 12.338 -0.881 0.793 1.00 0.00 C ATOM 155 C GLY A 10 13.656 -1.659 0.817 1.00 0.00 C ATOM 156 O GLY A 10 13.705 -2.813 1.262 1.00 0.00 O ATOM 0 H GLY A 10 10.950 -1.543 2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.132 -0.521 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.407 -0.004 1.437 1.00 0.00 H new ATOM 160 N LYS A 11 14.753 -1.048 0.367 1.00 0.00 N ATOM 161 CA LYS A 11 16.051 -1.723 0.349 1.00 0.00 C ATOM 162 C LYS A 11 16.499 -2.082 1.761 1.00 0.00 C ATOM 163 O LYS A 11 16.879 -3.229 2.004 1.00 0.00 O ATOM 164 CB LYS A 11 17.056 -0.766 -0.308 1.00 0.00 C ATOM 165 CG LYS A 11 18.464 -1.340 -0.494 1.00 0.00 C ATOM 166 CD LYS A 11 19.371 -0.273 -1.128 1.00 0.00 C ATOM 167 CE LYS A 11 20.589 -0.880 -1.826 1.00 0.00 C ATOM 168 NZ LYS A 11 21.490 -1.592 -0.899 1.00 0.00 N ATOM 0 H LYS A 11 14.769 -0.092 0.012 1.00 0.00 H new ATOM 0 HA LYS A 11 15.984 -2.655 -0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.669 -0.468 -1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.125 0.138 0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.871 -1.654 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 11 18.427 -2.225 -1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.795 0.307 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.706 0.420 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.251 -1.571 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.145 -0.088 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.296 -1.981 -1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 21.838 -0.930 -0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.972 -2.367 -0.438 1.00 0.00 H new ATOM 182 N THR A 12 16.481 -1.119 2.682 1.00 0.00 N ATOM 183 CA THR A 12 16.860 -1.312 4.075 1.00 0.00 C ATOM 184 C THR A 12 15.755 -0.923 5.067 1.00 0.00 C ATOM 185 O THR A 12 15.996 -0.939 6.272 1.00 0.00 O ATOM 186 CB THR A 12 18.261 -0.730 4.324 1.00 0.00 C ATOM 187 OG1 THR A 12 18.851 -1.255 5.503 1.00 0.00 O ATOM 188 CG2 THR A 12 18.303 0.795 4.374 1.00 0.00 C ATOM 0 H THR A 12 16.196 -0.163 2.472 1.00 0.00 H new ATOM 0 HA THR A 12 16.956 -2.378 4.282 1.00 0.00 H new ATOM 0 HB THR A 12 18.841 -1.040 3.455 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.162 -1.367 6.191 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.326 1.125 4.553 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.952 1.200 3.425 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.661 1.150 5.180 1.00 0.00 H new ATOM 196 N LEU A 13 14.565 -0.541 4.596 1.00 0.00 N ATOM 197 CA LEU A 13 13.438 -0.137 5.432 1.00 0.00 C ATOM 198 C LEU A 13 12.216 -0.949 5.035 1.00 0.00 C ATOM 199 O LEU A 13 12.074 -1.325 3.873 1.00 0.00 O ATOM 200 CB LEU A 13 13.168 1.367 5.233 1.00 0.00 C ATOM 201 CG LEU A 13 14.077 2.244 6.114 1.00 0.00 C ATOM 202 CD1 LEU A 13 14.251 3.638 5.512 1.00 0.00 C ATOM 203 CD2 LEU A 13 13.483 2.388 7.519 1.00 0.00 C ATOM 0 H LEU A 13 14.356 -0.504 3.598 1.00 0.00 H new ATOM 0 HA LEU A 13 13.664 -0.317 6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.321 1.626 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.125 1.581 5.465 1.00 0.00 H new ATOM 0 HG LEU A 13 15.049 1.753 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.897 4.234 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.702 3.554 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.278 4.122 5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.138 3.011 8.129 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.499 2.853 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.389 1.403 7.977 1.00 0.00 H new ATOM 215 N LYS A 14 11.343 -1.241 5.996 1.00 0.00 N ATOM 216 CA LYS A 14 10.111 -1.993 5.787 1.00 0.00 C ATOM 217 C LYS A 14 9.035 -1.385 6.666 1.00 0.00 C ATOM 218 O LYS A 14 9.342 -0.944 7.780 1.00 0.00 O ATOM 219 CB LYS A 14 10.307 -3.474 6.148 1.00 0.00 C ATOM 220 CG LYS A 14 10.968 -4.254 5.015 1.00 0.00 C ATOM 221 CD LYS A 14 11.049 -5.742 5.350 1.00 0.00 C ATOM 222 CE LYS A 14 11.498 -6.481 4.091 1.00 0.00 C ATOM 223 NZ LYS A 14 11.524 -7.938 4.294 1.00 0.00 N ATOM 0 H LYS A 14 11.477 -0.953 6.965 1.00 0.00 H new ATOM 0 HA LYS A 14 9.823 -1.941 4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.919 -3.551 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.341 -3.922 6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.402 -4.115 4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.969 -3.863 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.753 -5.912 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.080 -6.111 5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.825 -6.240 3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.491 -6.136 3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.834 -8.405 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.186 -8.170 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.571 -8.271 4.546 1.00 0.00 H new ATOM 237 N GLY A 15 7.787 -1.426 6.222 1.00 0.00 N ATOM 238 CA GLY A 15 6.655 -0.901 6.961 1.00 0.00 C ATOM 239 C GLY A 15 5.387 -1.417 6.308 1.00 0.00 C ATOM 240 O GLY A 15 5.380 -1.669 5.100 1.00 0.00 O ATOM 0 H GLY A 15 7.532 -1.833 5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.702 -1.216 8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.669 0.189 6.956 1.00 0.00 H new ATOM 244 N GLU A 16 4.323 -1.602 7.082 1.00 0.00 N ATOM 245 CA GLU A 16 3.061 -2.086 6.567 1.00 0.00 C ATOM 246 C GLU A 16 1.891 -1.525 7.356 1.00 0.00 C ATOM 247 O GLU A 16 2.035 -1.077 8.494 1.00 0.00 O ATOM 248 CB GLU A 16 3.024 -3.625 6.591 1.00 0.00 C ATOM 249 CG GLU A 16 3.058 -4.249 7.996 1.00 0.00 C ATOM 250 CD GLU A 16 2.735 -5.740 7.930 1.00 0.00 C ATOM 251 OE1 GLU A 16 3.646 -6.577 8.055 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.525 -6.074 7.769 1.00 0.00 O ATOM 0 H GLU A 16 4.318 -1.418 8.085 1.00 0.00 H new ATOM 0 HA GLU A 16 2.971 -1.744 5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.121 -3.961 6.081 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.872 -4.004 6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.043 -4.104 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.339 -3.744 8.642 1.00 0.00 H new ATOM 259 N THR A 17 0.705 -1.620 6.768 1.00 0.00 N ATOM 260 CA THR A 17 -0.508 -1.146 7.404 1.00 0.00 C ATOM 261 C THR A 17 -1.703 -1.876 6.799 1.00 0.00 C ATOM 262 O THR A 17 -1.582 -2.628 5.823 1.00 0.00 O ATOM 263 CB THR A 17 -0.584 0.395 7.273 1.00 0.00 C ATOM 264 OG1 THR A 17 -1.485 0.951 8.216 1.00 0.00 O ATOM 265 CG2 THR A 17 -1.000 0.842 5.867 1.00 0.00 C ATOM 0 H THR A 17 0.562 -2.026 5.843 1.00 0.00 H new ATOM 0 HA THR A 17 -0.513 -1.366 8.472 1.00 0.00 H new ATOM 0 HB THR A 17 0.424 0.761 7.470 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.510 1.925 8.110 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.038 1.931 5.828 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.274 0.478 5.140 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.984 0.436 5.632 1.00 0.00 H new ATOM 273 N THR A 18 -2.858 -1.690 7.410 1.00 0.00 N ATOM 274 CA THR A 18 -4.136 -2.227 7.008 1.00 0.00 C ATOM 275 C THR A 18 -5.084 -1.075 7.335 1.00 0.00 C ATOM 276 O THR A 18 -4.913 -0.405 8.362 1.00 0.00 O ATOM 277 CB THR A 18 -4.403 -3.575 7.711 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.410 -4.278 7.017 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.773 -3.475 9.195 1.00 0.00 C ATOM 0 H THR A 18 -2.928 -1.122 8.255 1.00 0.00 H new ATOM 0 HA THR A 18 -4.238 -2.507 5.959 1.00 0.00 H new ATOM 0 HB THR A 18 -3.453 -4.109 7.686 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.578 -5.134 7.463 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.941 -4.474 9.596 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.960 -2.996 9.741 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.682 -2.883 9.304 1.00 0.00 H new ATOM 287 N THR A 19 -6.061 -0.816 6.479 1.00 0.00 N ATOM 288 CA THR A 19 -7.008 0.268 6.667 1.00 0.00 C ATOM 289 C THR A 19 -8.355 -0.141 6.089 1.00 0.00 C ATOM 290 O THR A 19 -8.443 -1.138 5.367 1.00 0.00 O ATOM 291 CB THR A 19 -6.491 1.557 5.984 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.233 1.366 4.607 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.228 2.141 6.616 1.00 0.00 C ATOM 0 H THR A 19 -6.218 -1.357 5.629 1.00 0.00 H new ATOM 0 HA THR A 19 -7.121 0.473 7.732 1.00 0.00 H new ATOM 0 HB THR A 19 -7.307 2.265 6.128 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.910 2.204 4.215 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.934 3.042 6.077 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.425 2.390 7.659 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.423 1.408 6.564 1.00 0.00 H new ATOM 301 N GLU A 20 -9.395 0.610 6.427 1.00 0.00 N ATOM 302 CA GLU A 20 -10.771 0.475 5.994 1.00 0.00 C ATOM 303 C GLU A 20 -11.127 1.877 5.490 1.00 0.00 C ATOM 304 O GLU A 20 -11.096 2.831 6.281 1.00 0.00 O ATOM 305 CB GLU A 20 -11.640 -0.055 7.144 1.00 0.00 C ATOM 306 CG GLU A 20 -13.085 -0.268 6.684 1.00 0.00 C ATOM 307 CD GLU A 20 -13.914 -1.085 7.680 1.00 0.00 C ATOM 308 OE1 GLU A 20 -14.055 -0.667 8.850 1.00 0.00 O ATOM 309 OE2 GLU A 20 -14.478 -2.125 7.264 1.00 0.00 O ATOM 0 H GLU A 20 -9.282 1.396 7.067 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.938 -0.256 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.229 -0.995 7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.619 0.649 7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.560 0.702 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.083 -0.775 5.719 1.00 0.00 H new ATOM 316 N ALA A 21 -11.381 2.032 4.190 1.00 0.00 N ATOM 317 CA ALA A 21 -11.700 3.313 3.561 1.00 0.00 C ATOM 318 C ALA A 21 -13.161 3.381 3.126 1.00 0.00 C ATOM 319 O ALA A 21 -13.747 2.369 2.724 1.00 0.00 O ATOM 320 CB ALA A 21 -10.780 3.516 2.351 1.00 0.00 C ATOM 0 H ALA A 21 -11.370 1.253 3.531 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.542 4.106 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.010 4.469 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.741 3.516 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.934 2.707 1.637 1.00 0.00 H new ATOM 326 N VAL A 22 -13.719 4.592 3.168 1.00 0.00 N ATOM 327 CA VAL A 22 -15.102 4.888 2.796 1.00 0.00 C ATOM 328 C VAL A 22 -15.364 4.507 1.337 1.00 0.00 C ATOM 329 O VAL A 22 -16.345 3.825 1.047 1.00 0.00 O ATOM 330 CB VAL A 22 -15.446 6.369 3.085 1.00 0.00 C ATOM 331 CG1 VAL A 22 -15.482 6.628 4.596 1.00 0.00 C ATOM 332 CG2 VAL A 22 -14.483 7.395 2.462 1.00 0.00 C ATOM 0 H VAL A 22 -13.204 5.419 3.471 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.766 4.280 3.411 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.421 6.512 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.725 7.674 4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.239 5.993 5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.507 6.401 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.808 8.403 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.476 7.229 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.482 7.281 1.378 1.00 0.00 H new ATOM 342 N ASP A 23 -14.463 4.875 0.427 1.00 0.00 N ATOM 343 CA ASP A 23 -14.533 4.594 -1.002 1.00 0.00 C ATOM 344 C ASP A 23 -13.110 4.276 -1.472 1.00 0.00 C ATOM 345 O ASP A 23 -12.135 4.641 -0.807 1.00 0.00 O ATOM 346 CB ASP A 23 -15.176 5.766 -1.750 1.00 0.00 C ATOM 347 CG ASP A 23 -14.917 5.651 -3.251 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.135 6.476 -3.781 1.00 0.00 O ATOM 349 OD2 ASP A 23 -15.374 4.661 -3.855 1.00 0.00 O ATOM 0 H ASP A 23 -13.627 5.401 0.680 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.170 3.736 -1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.249 5.781 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.773 6.708 -1.377 1.00 0.00 H new ATOM 354 N ALA A 24 -12.969 3.586 -2.604 1.00 0.00 N ATOM 355 CA ALA A 24 -11.673 3.204 -3.133 1.00 0.00 C ATOM 356 C ALA A 24 -10.836 4.402 -3.600 1.00 0.00 C ATOM 357 O ALA A 24 -9.612 4.287 -3.631 1.00 0.00 O ATOM 358 CB ALA A 24 -11.846 2.136 -4.210 1.00 0.00 C ATOM 0 H ALA A 24 -13.756 3.279 -3.176 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.092 2.770 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.869 1.854 -4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.331 1.260 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.462 2.531 -5.018 1.00 0.00 H new ATOM 364 N ALA A 25 -11.426 5.554 -3.950 1.00 0.00 N ATOM 365 CA ALA A 25 -10.615 6.705 -4.353 1.00 0.00 C ATOM 366 C ALA A 25 -9.888 7.253 -3.120 1.00 0.00 C ATOM 367 O ALA A 25 -8.800 7.816 -3.236 1.00 0.00 O ATOM 368 CB ALA A 25 -11.438 7.784 -5.042 1.00 0.00 C ATOM 0 H ALA A 25 -12.434 5.710 -3.962 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.885 6.374 -5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.789 8.614 -5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.903 7.371 -5.937 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.212 8.140 -4.363 1.00 0.00 H new ATOM 374 N THR A 26 -10.483 7.120 -1.929 1.00 0.00 N ATOM 375 CA THR A 26 -9.847 7.562 -0.697 1.00 0.00 C ATOM 376 C THR A 26 -8.602 6.675 -0.513 1.00 0.00 C ATOM 377 O THR A 26 -7.532 7.169 -0.149 1.00 0.00 O ATOM 378 CB THR A 26 -10.846 7.439 0.463 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.977 8.270 0.252 1.00 0.00 O ATOM 380 CG2 THR A 26 -10.232 7.829 1.810 1.00 0.00 C ATOM 0 H THR A 26 -11.407 6.708 -1.799 1.00 0.00 H new ATOM 0 HA THR A 26 -9.543 8.608 -0.728 1.00 0.00 H new ATOM 0 HB THR A 26 -11.137 6.389 0.490 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.338 8.557 1.117 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.981 7.724 2.595 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.385 7.177 2.026 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.892 8.864 1.769 1.00 0.00 H new ATOM 388 N ALA A 27 -8.737 5.369 -0.787 1.00 0.00 N ATOM 389 CA ALA A 27 -7.642 4.421 -0.687 1.00 0.00 C ATOM 390 C ALA A 27 -6.554 4.818 -1.696 1.00 0.00 C ATOM 391 O ALA A 27 -5.391 4.897 -1.322 1.00 0.00 O ATOM 392 CB ALA A 27 -8.142 2.991 -0.894 1.00 0.00 C ATOM 0 H ALA A 27 -9.617 4.949 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.209 4.449 0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.305 2.298 -0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.885 2.751 -0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.594 2.903 -1.882 1.00 0.00 H new ATOM 398 N GLU A 28 -6.926 5.152 -2.938 1.00 0.00 N ATOM 399 CA GLU A 28 -6.000 5.563 -3.997 1.00 0.00 C ATOM 400 C GLU A 28 -5.132 6.736 -3.507 1.00 0.00 C ATOM 401 O GLU A 28 -3.920 6.749 -3.741 1.00 0.00 O ATOM 402 CB GLU A 28 -6.813 5.949 -5.253 1.00 0.00 C ATOM 403 CG GLU A 28 -5.968 6.432 -6.446 1.00 0.00 C ATOM 404 CD GLU A 28 -6.792 7.191 -7.498 1.00 0.00 C ATOM 405 OE1 GLU A 28 -6.650 6.895 -8.709 1.00 0.00 O ATOM 406 OE2 GLU A 28 -7.506 8.163 -7.146 1.00 0.00 O ATOM 0 H GLU A 28 -7.900 5.143 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.332 4.741 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.400 5.086 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.519 6.735 -4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.171 7.079 -6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.490 5.573 -6.917 1.00 0.00 H new ATOM 413 N LYS A 29 -5.712 7.701 -2.792 1.00 0.00 N ATOM 414 CA LYS A 29 -4.969 8.851 -2.284 1.00 0.00 C ATOM 415 C LYS A 29 -3.953 8.430 -1.227 1.00 0.00 C ATOM 416 O LYS A 29 -2.772 8.776 -1.332 1.00 0.00 O ATOM 417 CB LYS A 29 -5.954 9.895 -1.753 1.00 0.00 C ATOM 418 CG LYS A 29 -5.240 11.202 -1.389 1.00 0.00 C ATOM 419 CD LYS A 29 -6.269 12.280 -1.049 1.00 0.00 C ATOM 420 CE LYS A 29 -5.627 13.666 -1.056 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.486 14.678 -0.410 1.00 0.00 N ATOM 0 H LYS A 29 -6.703 7.707 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.398 9.299 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.718 10.093 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.466 9.501 -0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.576 11.040 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.618 11.531 -2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.086 12.249 -1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.701 12.080 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.667 13.623 -0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.424 13.966 -2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.012 15.603 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.392 14.738 -0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.659 14.406 0.579 1.00 0.00 H new ATOM 435 N VAL A 30 -4.392 7.699 -0.196 1.00 0.00 N ATOM 436 CA VAL A 30 -3.482 7.263 0.859 1.00 0.00 C ATOM 437 C VAL A 30 -2.391 6.358 0.274 1.00 0.00 C ATOM 438 O VAL A 30 -1.250 6.427 0.736 1.00 0.00 O ATOM 439 CB VAL A 30 -4.228 6.709 2.094 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.719 5.263 1.966 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.351 6.820 3.347 1.00 0.00 C ATOM 0 H VAL A 30 -5.360 7.402 -0.074 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.957 8.128 1.265 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.119 7.331 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.229 4.969 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.410 5.186 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.868 4.603 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.893 6.425 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.435 6.248 3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.101 7.866 3.525 1.00 0.00 H new ATOM 451 N PHE A 31 -2.693 5.562 -0.764 1.00 0.00 N ATOM 452 CA PHE A 31 -1.739 4.664 -1.403 1.00 0.00 C ATOM 453 C PHE A 31 -0.517 5.449 -1.881 1.00 0.00 C ATOM 454 O PHE A 31 0.600 4.955 -1.733 1.00 0.00 O ATOM 455 CB PHE A 31 -2.364 3.880 -2.569 1.00 0.00 C ATOM 456 CG PHE A 31 -3.385 2.798 -2.248 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.688 2.398 -0.928 1.00 0.00 C ATOM 458 CD2 PHE A 31 -4.022 2.148 -3.321 1.00 0.00 C ATOM 459 CE1 PHE A 31 -4.575 1.334 -0.691 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.912 1.089 -3.087 1.00 0.00 C ATOM 461 CZ PHE A 31 -5.175 0.669 -1.772 1.00 0.00 C ATOM 0 H PHE A 31 -3.622 5.529 -1.183 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.430 3.932 -0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.841 4.599 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.553 3.415 -3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.235 2.914 -0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.824 2.467 -4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.795 1.028 0.321 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.395 0.596 -3.918 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.838 -0.165 -1.593 1.00 0.00 H new ATOM 471 N LYS A 32 -0.669 6.650 -2.446 1.00 0.00 N ATOM 472 CA LYS A 32 0.507 7.402 -2.872 1.00 0.00 C ATOM 473 C LYS A 32 1.216 8.060 -1.689 1.00 0.00 C ATOM 474 O LYS A 32 2.418 7.867 -1.546 1.00 0.00 O ATOM 475 CB LYS A 32 0.116 8.455 -3.919 1.00 0.00 C ATOM 476 CG LYS A 32 1.327 9.249 -4.434 1.00 0.00 C ATOM 477 CD LYS A 32 0.900 10.196 -5.558 1.00 0.00 C ATOM 478 CE LYS A 32 2.080 11.057 -6.002 1.00 0.00 C ATOM 479 NZ LYS A 32 1.652 12.104 -6.944 1.00 0.00 N ATOM 0 H LYS A 32 -1.565 7.108 -2.614 1.00 0.00 H new ATOM 0 HA LYS A 32 1.206 6.697 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.376 7.963 -4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.608 9.144 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.771 9.819 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.092 8.563 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.522 9.621 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.084 10.833 -5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.546 11.517 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.836 10.428 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.475 12.673 -7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.229 11.662 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.949 12.718 -6.485 1.00 0.00 H new ATOM 493 N GLN A 33 0.486 8.774 -0.825 1.00 0.00 N ATOM 494 CA GLN A 33 1.111 9.490 0.286 1.00 0.00 C ATOM 495 C GLN A 33 1.851 8.644 1.320 1.00 0.00 C ATOM 496 O GLN A 33 3.036 8.897 1.514 1.00 0.00 O ATOM 497 CB GLN A 33 0.036 10.365 0.969 1.00 0.00 C ATOM 498 CG GLN A 33 0.511 11.128 2.229 1.00 0.00 C ATOM 499 CD GLN A 33 0.461 10.292 3.513 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.484 9.949 4.095 1.00 0.00 O ATOM 501 NE2 GLN A 33 -0.722 9.897 3.950 1.00 0.00 N ATOM 0 H GLN A 33 -0.528 8.870 -0.875 1.00 0.00 H new ATOM 0 HA GLN A 33 1.907 10.085 -0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.335 11.089 0.244 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.806 9.730 1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.533 11.473 2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.108 12.016 2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.569 10.186 3.461 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.788 9.303 4.777 1.00 0.00 H new ATOM 510 N TYR A 34 1.241 7.607 1.902 1.00 0.00 N ATOM 511 CA TYR A 34 1.925 6.832 2.939 1.00 0.00 C ATOM 512 C TYR A 34 3.172 6.126 2.414 1.00 0.00 C ATOM 513 O TYR A 34 4.259 6.293 2.958 1.00 0.00 O ATOM 514 CB TYR A 34 0.937 5.910 3.675 1.00 0.00 C ATOM 515 CG TYR A 34 1.573 4.680 4.295 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.210 3.393 3.854 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.559 4.824 5.288 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.824 2.255 4.401 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.190 3.690 5.825 1.00 0.00 C ATOM 520 CZ TYR A 34 2.822 2.398 5.388 1.00 0.00 C ATOM 521 OH TYR A 34 3.429 1.288 5.882 1.00 0.00 O ATOM 0 H TYR A 34 0.297 7.291 1.679 1.00 0.00 H new ATOM 0 HA TYR A 34 2.306 7.527 3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.440 6.482 4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.165 5.591 2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.455 3.281 3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.831 5.809 5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.532 1.270 4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.959 3.806 6.574 1.00 0.00 H new ATOM 0 HH TYR A 34 4.094 1.550 6.553 1.00 0.00 H new ATOM 531 N ALA A 35 3.042 5.373 1.329 1.00 0.00 N ATOM 532 CA ALA A 35 4.140 4.644 0.729 1.00 0.00 C ATOM 533 C ALA A 35 5.251 5.606 0.310 1.00 0.00 C ATOM 534 O ALA A 35 6.422 5.326 0.555 1.00 0.00 O ATOM 535 CB ALA A 35 3.603 3.825 -0.441 1.00 0.00 C ATOM 0 H ALA A 35 2.156 5.253 0.838 1.00 0.00 H new ATOM 0 HA ALA A 35 4.581 3.957 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.420 3.271 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.849 3.126 -0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.156 4.493 -1.178 1.00 0.00 H new ATOM 541 N ASN A 36 4.918 6.748 -0.301 1.00 0.00 N ATOM 542 CA ASN A 36 5.951 7.696 -0.700 1.00 0.00 C ATOM 543 C ASN A 36 6.655 8.271 0.527 1.00 0.00 C ATOM 544 O ASN A 36 7.862 8.470 0.485 1.00 0.00 O ATOM 545 CB ASN A 36 5.366 8.810 -1.562 1.00 0.00 C ATOM 546 CG ASN A 36 6.445 9.761 -2.055 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.327 10.980 -1.920 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.489 9.250 -2.682 1.00 0.00 N ATOM 0 H ASN A 36 3.963 7.030 -0.524 1.00 0.00 H new ATOM 0 HA ASN A 36 6.689 7.162 -1.299 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.846 8.375 -2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.626 9.366 -0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.208 9.866 -3.061 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.576 8.239 -2.788 1.00 0.00 H new ATOM 555 N ASP A 37 5.921 8.513 1.616 1.00 0.00 N ATOM 556 CA ASP A 37 6.471 9.037 2.871 1.00 0.00 C ATOM 557 C ASP A 37 7.384 7.982 3.518 1.00 0.00 C ATOM 558 O ASP A 37 8.333 8.313 4.227 1.00 0.00 O ATOM 559 CB ASP A 37 5.329 9.435 3.812 1.00 0.00 C ATOM 560 CG ASP A 37 5.816 10.257 5.000 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.964 11.493 4.832 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.945 9.708 6.118 1.00 0.00 O ATOM 0 H ASP A 37 4.915 8.349 1.652 1.00 0.00 H new ATOM 0 HA ASP A 37 7.068 9.926 2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.587 10.008 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.831 8.536 4.175 1.00 0.00 H new ATOM 567 N ASN A 38 7.148 6.705 3.195 1.00 0.00 N ATOM 568 CA ASN A 38 7.885 5.525 3.645 1.00 0.00 C ATOM 569 C ASN A 38 9.140 5.322 2.756 1.00 0.00 C ATOM 570 O ASN A 38 9.943 4.417 2.997 1.00 0.00 O ATOM 571 CB ASN A 38 6.920 4.317 3.635 1.00 0.00 C ATOM 572 CG ASN A 38 7.337 3.102 4.457 1.00 0.00 C ATOM 573 OD1 ASN A 38 8.415 3.040 5.045 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.471 2.098 4.508 1.00 0.00 N ATOM 0 H ASN A 38 6.383 6.455 2.568 1.00 0.00 H new ATOM 0 HA ASN A 38 8.252 5.646 4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.948 4.655 3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.784 3.998 2.602 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.695 1.258 5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.581 2.166 4.014 1.00 0.00 H new ATOM 581 N GLY A 39 9.334 6.156 1.724 1.00 0.00 N ATOM 582 CA GLY A 39 10.470 6.139 0.809 1.00 0.00 C ATOM 583 C GLY A 39 10.504 4.992 -0.201 1.00 0.00 C ATOM 584 O GLY A 39 11.588 4.465 -0.470 1.00 0.00 O ATOM 0 H GLY A 39 8.667 6.894 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.482 7.080 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.385 6.103 1.400 1.00 0.00 H new ATOM 588 N VAL A 40 9.370 4.582 -0.773 1.00 0.00 N ATOM 589 CA VAL A 40 9.347 3.486 -1.750 1.00 0.00 C ATOM 590 C VAL A 40 9.743 3.950 -3.150 1.00 0.00 C ATOM 591 O VAL A 40 9.427 5.079 -3.544 1.00 0.00 O ATOM 592 CB VAL A 40 7.959 2.830 -1.815 1.00 0.00 C ATOM 593 CG1 VAL A 40 7.565 2.330 -0.427 1.00 0.00 C ATOM 594 CG2 VAL A 40 6.852 3.727 -2.397 1.00 0.00 C ATOM 0 H VAL A 40 8.456 4.990 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 40 10.081 2.757 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 40 8.049 1.998 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.580 1.865 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.296 1.598 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.537 3.169 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.908 3.182 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.749 4.622 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.114 4.013 -3.416 1.00 0.00 H new ATOM 604 N ASP A 41 10.507 3.133 -3.864 1.00 0.00 N ATOM 605 CA ASP A 41 10.951 3.362 -5.236 1.00 0.00 C ATOM 606 C ASP A 41 10.838 2.007 -5.951 1.00 0.00 C ATOM 607 O ASP A 41 11.855 1.379 -6.237 1.00 0.00 O ATOM 608 CB ASP A 41 12.347 4.008 -5.231 1.00 0.00 C ATOM 609 CG ASP A 41 12.751 4.647 -6.560 1.00 0.00 C ATOM 610 OD1 ASP A 41 13.954 4.992 -6.695 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.898 4.930 -7.429 1.00 0.00 O ATOM 0 H ASP A 41 10.851 2.250 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 41 10.339 4.076 -5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.379 4.769 -4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.084 3.250 -4.967 1.00 0.00 H new ATOM 616 N GLY A 42 9.619 1.475 -6.134 1.00 0.00 N ATOM 617 CA GLY A 42 9.410 0.171 -6.774 1.00 0.00 C ATOM 618 C GLY A 42 8.078 0.031 -7.514 1.00 0.00 C ATOM 619 O GLY A 42 7.418 1.028 -7.822 1.00 0.00 O ATOM 0 H GLY A 42 8.756 1.935 -5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.222 -0.008 -7.478 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.471 -0.607 -6.013 1.00 0.00 H new ATOM 623 N GLU A 43 7.698 -1.211 -7.818 1.00 0.00 N ATOM 624 CA GLU A 43 6.489 -1.603 -8.537 1.00 0.00 C ATOM 625 C GLU A 43 5.514 -2.307 -7.596 1.00 0.00 C ATOM 626 O GLU A 43 5.920 -2.981 -6.645 1.00 0.00 O ATOM 627 CB GLU A 43 6.805 -2.399 -9.812 1.00 0.00 C ATOM 628 CG GLU A 43 7.459 -3.761 -9.560 1.00 0.00 C ATOM 629 CD GLU A 43 7.507 -4.607 -10.831 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.487 -5.251 -11.174 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.570 -4.655 -11.496 1.00 0.00 O ATOM 0 H GLU A 43 8.262 -2.018 -7.552 1.00 0.00 H new ATOM 0 HA GLU A 43 5.988 -0.702 -8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.881 -2.551 -10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.465 -1.804 -10.444 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.471 -3.615 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.904 -4.294 -8.788 1.00 0.00 H new ATOM 638 N TRP A 44 4.226 -2.152 -7.891 1.00 0.00 N ATOM 639 CA TRP A 44 3.104 -2.658 -7.119 1.00 0.00 C ATOM 640 C TRP A 44 2.461 -3.933 -7.675 1.00 0.00 C ATOM 641 O TRP A 44 2.182 -4.022 -8.873 1.00 0.00 O ATOM 642 CB TRP A 44 2.086 -1.499 -7.075 1.00 0.00 C ATOM 643 CG TRP A 44 2.535 -0.266 -6.327 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.639 0.471 -6.594 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.935 0.367 -5.152 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.834 1.406 -5.608 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.775 1.440 -4.729 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.782 0.123 -4.380 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.492 2.218 -3.597 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.470 0.908 -3.254 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.329 1.948 -2.859 1.00 0.00 C ATOM 0 H TRP A 44 3.925 -1.642 -8.721 1.00 0.00 H new ATOM 0 HA TRP A 44 3.454 -2.963 -6.133 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.843 -1.213 -8.098 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.166 -1.864 -6.619 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.274 0.342 -7.458 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.660 2.001 -5.536 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.122 -0.685 -4.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.159 3.013 -3.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.431 0.711 -2.692 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.094 2.540 -1.987 1.00 0.00 H new ATOM 662 N THR A 45 2.164 -4.887 -6.787 1.00 0.00 N ATOM 663 CA THR A 45 1.523 -6.181 -7.044 1.00 0.00 C ATOM 664 C THR A 45 0.222 -6.242 -6.209 1.00 0.00 C ATOM 665 O THR A 45 0.081 -5.452 -5.264 1.00 0.00 O ATOM 666 CB THR A 45 2.510 -7.313 -6.705 1.00 0.00 C ATOM 667 OG1 THR A 45 3.019 -7.178 -5.388 1.00 0.00 O ATOM 668 CG2 THR A 45 3.683 -7.379 -7.684 1.00 0.00 C ATOM 0 H THR A 45 2.381 -4.766 -5.798 1.00 0.00 H new ATOM 0 HA THR A 45 1.257 -6.302 -8.094 1.00 0.00 H new ATOM 0 HB THR A 45 1.940 -8.239 -6.785 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.641 -7.912 -5.201 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.349 -8.194 -7.400 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.306 -7.553 -8.692 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.231 -6.437 -7.659 1.00 0.00 H new ATOM 676 N TYR A 46 -0.740 -7.134 -6.507 1.00 0.00 N ATOM 677 CA TYR A 46 -2.005 -7.198 -5.756 1.00 0.00 C ATOM 678 C TYR A 46 -2.547 -8.604 -5.454 1.00 0.00 C ATOM 679 O TYR A 46 -2.417 -9.520 -6.271 1.00 0.00 O ATOM 680 CB TYR A 46 -3.059 -6.395 -6.534 1.00 0.00 C ATOM 681 CG TYR A 46 -4.405 -6.298 -5.841 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.494 -5.678 -4.582 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.561 -6.835 -6.440 1.00 0.00 C ATOM 684 CE1 TYR A 46 -5.722 -5.617 -3.907 1.00 0.00 C ATOM 685 CE2 TYR A 46 -6.804 -6.738 -5.789 1.00 0.00 C ATOM 686 CZ TYR A 46 -6.885 -6.124 -4.520 1.00 0.00 C ATOM 687 OH TYR A 46 -8.080 -5.943 -3.900 1.00 0.00 O ATOM 0 H TYR A 46 -0.665 -7.818 -7.260 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.790 -6.780 -4.773 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.678 -5.388 -6.706 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.199 -6.854 -7.513 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.612 -5.246 -4.132 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.493 -7.322 -7.401 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.776 -5.182 -2.920 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.694 -7.132 -6.258 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.796 -6.316 -4.455 1.00 0.00 H new ATOM 697 N ASP A 47 -3.099 -8.801 -4.251 1.00 0.00 N ATOM 698 CA ASP A 47 -3.728 -10.034 -3.756 1.00 0.00 C ATOM 699 C ASP A 47 -5.106 -9.648 -3.195 1.00 0.00 C ATOM 700 O ASP A 47 -5.194 -9.207 -2.039 1.00 0.00 O ATOM 701 CB ASP A 47 -2.847 -10.785 -2.741 1.00 0.00 C ATOM 702 CG ASP A 47 -1.769 -11.639 -3.417 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.114 -12.565 -4.186 1.00 0.00 O ATOM 704 OD2 ASP A 47 -0.557 -11.402 -3.203 1.00 0.00 O ATOM 0 H ASP A 47 -3.120 -8.058 -3.553 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.851 -10.748 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.371 -10.065 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.476 -11.424 -2.121 1.00 0.00 H new ATOM 709 N ASP A 48 -6.194 -9.790 -3.963 1.00 0.00 N ATOM 710 CA ASP A 48 -7.565 -9.431 -3.548 1.00 0.00 C ATOM 711 C ASP A 48 -8.078 -10.198 -2.336 1.00 0.00 C ATOM 712 O ASP A 48 -8.942 -9.697 -1.616 1.00 0.00 O ATOM 713 CB ASP A 48 -8.582 -9.625 -4.686 1.00 0.00 C ATOM 714 CG ASP A 48 -9.900 -8.900 -4.408 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.947 -9.544 -4.187 1.00 0.00 O ATOM 716 OD2 ASP A 48 -9.914 -7.647 -4.471 1.00 0.00 O ATOM 0 H ASP A 48 -6.150 -10.165 -4.911 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.481 -8.379 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.156 -9.257 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.775 -10.689 -4.822 1.00 0.00 H new ATOM 721 N ALA A 49 -7.509 -11.373 -2.059 1.00 0.00 N ATOM 722 CA ALA A 49 -7.901 -12.222 -0.940 1.00 0.00 C ATOM 723 C ALA A 49 -7.792 -11.519 0.415 1.00 0.00 C ATOM 724 O ALA A 49 -8.469 -11.890 1.369 1.00 0.00 O ATOM 725 CB ALA A 49 -7.025 -13.476 -0.950 1.00 0.00 C ATOM 0 H ALA A 49 -6.751 -11.765 -2.617 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.953 -12.478 -1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.306 -14.122 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.166 -14.011 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.978 -13.189 -0.850 1.00 0.00 H new ATOM 731 N THR A 50 -6.907 -10.536 0.511 1.00 0.00 N ATOM 732 CA THR A 50 -6.645 -9.725 1.694 1.00 0.00 C ATOM 733 C THR A 50 -6.721 -8.225 1.342 1.00 0.00 C ATOM 734 O THR A 50 -6.966 -7.387 2.212 1.00 0.00 O ATOM 735 CB THR A 50 -5.312 -10.212 2.319 1.00 0.00 C ATOM 736 OG1 THR A 50 -4.640 -9.199 3.024 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.278 -10.746 1.312 1.00 0.00 C ATOM 0 H THR A 50 -6.319 -10.268 -0.278 1.00 0.00 H new ATOM 0 HA THR A 50 -7.407 -9.848 2.463 1.00 0.00 H new ATOM 0 HB THR A 50 -5.652 -11.018 2.970 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.909 -8.848 2.474 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.381 -11.062 1.845 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.699 -11.596 0.774 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.021 -9.959 0.603 1.00 0.00 H new ATOM 745 N LYS A 51 -6.638 -7.906 0.044 1.00 0.00 N ATOM 746 CA LYS A 51 -6.632 -6.631 -0.624 1.00 0.00 C ATOM 747 C LYS A 51 -5.246 -6.051 -0.351 1.00 0.00 C ATOM 748 O LYS A 51 -5.115 -4.853 -0.130 1.00 0.00 O ATOM 749 CB LYS A 51 -7.892 -5.796 -0.328 1.00 0.00 C ATOM 750 CG LYS A 51 -9.168 -6.552 -0.762 1.00 0.00 C ATOM 751 CD LYS A 51 -10.448 -5.706 -0.701 1.00 0.00 C ATOM 752 CE LYS A 51 -11.635 -6.396 -1.389 1.00 0.00 C ATOM 753 NZ LYS A 51 -11.648 -6.213 -2.856 1.00 0.00 N ATOM 0 H LYS A 51 -6.564 -8.656 -0.644 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.743 -6.678 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.942 -5.571 0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.833 -4.842 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.033 -6.915 -1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.293 -7.428 -0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.700 -5.507 0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.266 -4.741 -1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.607 -7.462 -1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.564 -6.006 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.583 -6.473 -3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.448 -5.218 -3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.922 -6.819 -3.288 1.00 0.00 H new ATOM 767 N THR A 52 -4.241 -6.940 -0.269 1.00 0.00 N ATOM 768 CA THR A 52 -2.857 -6.616 -0.025 1.00 0.00 C ATOM 769 C THR A 52 -2.247 -6.067 -1.302 1.00 0.00 C ATOM 770 O THR A 52 -2.424 -6.625 -2.390 1.00 0.00 O ATOM 771 CB THR A 52 -2.042 -7.827 0.480 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.424 -8.202 1.784 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.560 -7.497 0.668 1.00 0.00 C ATOM 0 H THR A 52 -4.396 -7.942 -0.378 1.00 0.00 H new ATOM 0 HA THR A 52 -2.822 -5.867 0.766 1.00 0.00 H new ATOM 0 HB THR A 52 -2.220 -8.594 -0.274 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.891 -8.972 2.073 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.033 -8.382 1.024 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.134 -7.179 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.456 -6.694 1.398 1.00 0.00 H new ATOM 781 N PHE A 53 -1.495 -4.996 -1.123 1.00 0.00 N ATOM 782 CA PHE A 53 -0.742 -4.268 -2.103 1.00 0.00 C ATOM 783 C PHE A 53 0.674 -4.373 -1.550 1.00 0.00 C ATOM 784 O PHE A 53 0.942 -3.826 -0.473 1.00 0.00 O ATOM 785 CB PHE A 53 -1.230 -2.819 -2.178 1.00 0.00 C ATOM 786 CG PHE A 53 -2.463 -2.610 -3.030 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.331 -2.373 -4.413 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.740 -2.620 -2.440 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.465 -2.096 -5.193 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.876 -2.357 -3.225 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.735 -2.070 -4.594 1.00 0.00 C ATOM 0 H PHE A 53 -1.393 -4.583 -0.196 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.829 -4.646 -3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.439 -2.468 -1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.424 -2.199 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.355 -2.405 -4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.847 -2.829 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.361 -1.903 -6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.858 -2.375 -2.776 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.605 -1.829 -5.186 1.00 0.00 H new ATOM 801 N THR A 54 1.535 -5.124 -2.234 1.00 0.00 N ATOM 802 CA THR A 54 2.924 -5.319 -1.850 1.00 0.00 C ATOM 803 C THR A 54 3.799 -4.615 -2.887 1.00 0.00 C ATOM 804 O THR A 54 3.445 -4.557 -4.074 1.00 0.00 O ATOM 805 CB THR A 54 3.246 -6.820 -1.715 1.00 0.00 C ATOM 806 OG1 THR A 54 2.329 -7.426 -0.823 1.00 0.00 O ATOM 807 CG2 THR A 54 4.644 -7.066 -1.144 1.00 0.00 C ATOM 0 H THR A 54 1.278 -5.622 -3.086 1.00 0.00 H new ATOM 0 HA THR A 54 3.123 -4.884 -0.870 1.00 0.00 H new ATOM 0 HB THR A 54 3.184 -7.242 -2.718 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.535 -8.381 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.823 -8.139 -1.069 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.390 -6.619 -1.802 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.717 -6.615 -0.154 1.00 0.00 H new ATOM 815 N VAL A 55 4.877 -3.998 -2.412 1.00 0.00 N ATOM 816 CA VAL A 55 5.869 -3.290 -3.204 1.00 0.00 C ATOM 817 C VAL A 55 7.229 -3.811 -2.774 1.00 0.00 C ATOM 818 O VAL A 55 7.463 -3.953 -1.569 1.00 0.00 O ATOM 819 CB VAL A 55 5.758 -1.777 -2.964 1.00 0.00 C ATOM 820 CG1 VAL A 55 6.933 -0.979 -3.554 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.470 -1.231 -3.572 1.00 0.00 C ATOM 0 H VAL A 55 5.090 -3.979 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 55 5.716 -3.458 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 55 5.767 -1.652 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.792 0.082 -3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.865 -1.315 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.976 -1.138 -4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.409 -0.158 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.466 -1.420 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.613 -1.725 -3.114 1.00 0.00 H new ATOM 831 N THR A 56 8.112 -4.074 -3.734 1.00 0.00 N ATOM 832 CA THR A 56 9.461 -4.541 -3.485 1.00 0.00 C ATOM 833 C THR A 56 10.406 -3.615 -4.256 1.00 0.00 C ATOM 834 O THR A 56 10.279 -3.478 -5.472 1.00 0.00 O ATOM 835 CB THR A 56 9.581 -6.045 -3.795 1.00 0.00 C ATOM 836 OG1 THR A 56 8.549 -6.740 -3.105 1.00 0.00 O ATOM 837 CG2 THR A 56 10.941 -6.585 -3.345 1.00 0.00 C ATOM 0 H THR A 56 7.899 -3.964 -4.725 1.00 0.00 H new ATOM 0 HA THR A 56 9.744 -4.482 -2.434 1.00 0.00 H new ATOM 0 HB THR A 56 9.488 -6.193 -4.871 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.615 -7.699 -3.297 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.004 -7.649 -3.574 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.735 -6.054 -3.870 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.054 -6.438 -2.271 1.00 0.00 H new ATOM 845 N GLU A 57 11.260 -2.881 -3.536 1.00 0.00 N ATOM 846 CA GLU A 57 12.237 -1.972 -4.124 1.00 0.00 C ATOM 847 C GLU A 57 13.229 -2.819 -4.905 1.00 0.00 C ATOM 848 O GLU A 57 13.409 -2.545 -6.120 1.00 0.00 O ATOM 849 CB GLU A 57 12.951 -1.173 -3.017 1.00 0.00 C ATOM 850 CG GLU A 57 13.648 0.063 -3.598 1.00 0.00 C ATOM 851 CD GLU A 57 14.572 0.765 -2.603 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.148 1.097 -1.470 1.00 0.00 O ATOM 853 OE2 GLU A 57 15.761 0.976 -2.951 1.00 0.00 O ATOM 0 H GLU A 57 11.289 -2.905 -2.517 1.00 0.00 H new ATOM 0 HA GLU A 57 11.753 -1.253 -4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.229 -0.866 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.684 -1.808 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.227 -0.233 -4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.892 0.769 -3.941 1.00 0.00 H new