USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 606 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 4 GLN : amide:sc= 0.702 X(o=2.6,f=2.2) USER MOD Set 1.2: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 66 TYR OH : rot -167:sc= 1.88 USER MOD Single : A 3 LYS NZ :NH3+ -149:sc=-0.00172 (180deg=-0.379) USER MOD Single : A 7 TYR OH : rot 120:sc= 0.0757 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0089 USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 1.06 (180deg=1.05) USER MOD Single : A 25 TYR OH : rot 142:sc= 0.934 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 175:sc= -0.0188 (180deg=-0.107) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -0.522 X(o=-0.52,f=-0.25) USER MOD Single : A 37 ASN : amide:sc= 0.669 K(o=0.67,f=-1) USER MOD Single : A 38 GLN : amide:sc=-0.000727 X(o=-0.00073,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -0.176 (180deg=-0.642) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.27) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -134:sc= 1.09 (180deg=-0.408) USER MOD Single : A 54 TYR OH : rot 180:sc= 0.125 USER MOD Single : A 58 THR OG1 : rot -65:sc= 1.09 USER MOD Single : A 60 SER OG : rot 10:sc= 0.413 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= 0.0989 (180deg=-0.118) USER MOD Single : A 68 GLN : amide:sc= 0.469 K(o=0.47,f=-0.09) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0572 X(o=-0.057,f=-0.06) USER MOD Single : A 76 GLN : amide:sc= -0.753 X(o=-0.75,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -0.052 12.696 9.548 1.00 9.35 N ATOM 2 CA ALA A 2 0.705 13.940 9.761 1.00 8.91 C ATOM 3 C ALA A 2 1.508 14.304 8.515 1.00 7.66 C ATOM 4 O ALA A 2 1.617 15.477 8.161 1.00 7.82 O ATOM 5 CB ALA A 2 1.627 13.846 10.978 1.00 9.35 C ATOM 0 HA ALA A 2 -0.021 14.729 9.956 1.00 8.91 H new ATOM 0 HB1 ALA A 2 2.167 14.785 11.099 1.00 9.35 H new ATOM 0 HB2 ALA A 2 1.033 13.652 11.871 1.00 9.35 H new ATOM 0 HB3 ALA A 2 2.340 13.034 10.833 1.00 9.35 H new ATOM 13 N LYS A 3 2.100 13.309 7.858 1.00 6.88 N ATOM 14 CA LYS A 3 2.650 13.423 6.519 1.00 5.94 C ATOM 15 C LYS A 3 2.117 12.220 5.754 1.00 4.93 C ATOM 16 O LYS A 3 2.036 11.124 6.306 1.00 4.87 O ATOM 17 CB LYS A 3 4.179 13.414 6.576 1.00 6.00 C ATOM 18 CG LYS A 3 4.709 14.775 7.043 1.00 6.92 C ATOM 19 CD LYS A 3 6.216 14.771 7.320 1.00 7.84 C ATOM 20 CE LYS A 3 6.571 13.880 8.522 1.00 8.80 C ATOM 21 NZ LYS A 3 7.076 12.552 8.131 1.00 9.20 N ATOM 0 H LYS A 3 2.211 12.377 8.258 1.00 6.88 H new ATOM 0 HA LYS A 3 2.362 14.355 6.032 1.00 5.94 H new ATOM 0 HB2 LYS A 3 4.518 12.633 7.256 1.00 6.00 H new ATOM 0 HB3 LYS A 3 4.584 13.178 5.592 1.00 6.00 H new ATOM 0 HG2 LYS A 3 4.487 15.524 6.283 1.00 6.92 H new ATOM 0 HG3 LYS A 3 4.180 15.073 7.948 1.00 6.92 H new ATOM 0 HD2 LYS A 3 6.748 14.418 6.436 1.00 7.84 H new ATOM 0 HD3 LYS A 3 6.554 15.790 7.510 1.00 7.84 H new ATOM 0 HE2 LYS A 3 7.323 14.383 9.129 1.00 8.80 H new ATOM 0 HE3 LYS A 3 5.687 13.756 9.148 1.00 8.80 H new ATOM 0 HZ1 LYS A 3 6.811 11.853 8.854 1.00 9.20 H new ATOM 0 HZ2 LYS A 3 6.662 12.278 7.217 1.00 9.20 H new ATOM 0 HZ3 LYS A 3 8.112 12.586 8.045 1.00 9.20 H new ATOM 35 N GLN A 4 1.718 12.428 4.511 1.00 4.85 N ATOM 36 CA GLN A 4 1.239 11.371 3.657 1.00 4.33 C ATOM 37 C GLN A 4 2.444 10.506 3.311 1.00 3.02 C ATOM 38 O GLN A 4 3.414 10.991 2.730 1.00 3.40 O ATOM 39 CB GLN A 4 0.592 11.996 2.420 1.00 5.58 C ATOM 40 CG GLN A 4 -0.938 11.922 2.484 1.00 6.66 C ATOM 41 CD GLN A 4 -1.443 10.487 2.385 1.00 7.23 C ATOM 42 OE1 GLN A 4 -0.673 9.572 2.110 1.00 7.38 O ATOM 43 NE2 GLN A 4 -2.729 10.267 2.612 1.00 8.24 N ATOM 0 H GLN A 4 1.720 13.347 4.068 1.00 4.85 H new ATOM 0 HA GLN A 4 0.482 10.750 4.136 1.00 4.33 H new ATOM 0 HB2 GLN A 4 0.903 13.037 2.333 1.00 5.58 H new ATOM 0 HB3 GLN A 4 0.944 11.482 1.526 1.00 5.58 H new ATOM 0 HG2 GLN A 4 -1.284 12.365 3.418 1.00 6.66 H new ATOM 0 HG3 GLN A 4 -1.364 12.513 1.674 1.00 6.66 H new ATOM 0 HE21 GLN A 4 -3.347 11.046 2.839 1.00 8.24 H new ATOM 0 HE22 GLN A 4 -3.101 9.319 2.560 1.00 8.24 H new ATOM 52 N ASP A 5 2.394 9.248 3.729 1.00 2.54 N ATOM 53 CA ASP A 5 3.516 8.318 3.680 1.00 2.13 C ATOM 54 C ASP A 5 3.023 6.919 3.335 1.00 2.13 C ATOM 55 O ASP A 5 3.128 5.966 4.111 1.00 3.51 O ATOM 56 CB ASP A 5 4.270 8.353 5.007 1.00 3.41 C ATOM 57 CG ASP A 5 5.649 7.746 4.893 1.00 4.32 C ATOM 58 OD1 ASP A 5 5.913 6.900 4.015 1.00 4.43 O ATOM 59 OD2 ASP A 5 6.474 8.150 5.742 1.00 5.55 O ATOM 0 H ASP A 5 1.549 8.834 4.122 1.00 2.54 H new ATOM 0 HA ASP A 5 4.211 8.617 2.896 1.00 2.13 H new ATOM 0 HB2 ASP A 5 4.356 9.385 5.348 1.00 3.41 H new ATOM 0 HB3 ASP A 5 3.698 7.814 5.763 1.00 3.41 H new ATOM 64 N TYR A 6 2.467 6.812 2.132 1.00 1.09 N ATOM 65 CA TYR A 6 2.010 5.557 1.564 1.00 0.89 C ATOM 66 C TYR A 6 3.129 4.513 1.574 1.00 0.89 C ATOM 67 O TYR A 6 2.864 3.316 1.654 1.00 1.19 O ATOM 68 CB TYR A 6 1.456 5.814 0.156 1.00 0.92 C ATOM 69 CG TYR A 6 0.114 6.537 0.077 1.00 1.50 C ATOM 70 CD1 TYR A 6 -0.881 6.402 1.072 1.00 2.72 C ATOM 71 CD2 TYR A 6 -0.187 7.275 -1.082 1.00 2.50 C ATOM 72 CE1 TYR A 6 -2.091 7.110 0.969 1.00 3.37 C ATOM 73 CE2 TYR A 6 -1.367 8.034 -1.148 1.00 3.11 C ATOM 74 CZ TYR A 6 -2.316 7.959 -0.121 1.00 3.11 C ATOM 75 OH TYR A 6 -3.434 8.736 -0.162 1.00 3.91 O ATOM 0 H TYR A 6 2.321 7.612 1.517 1.00 1.09 H new ATOM 0 HA TYR A 6 1.206 5.146 2.174 1.00 0.89 H new ATOM 0 HB2 TYR A 6 2.191 6.396 -0.400 1.00 0.92 H new ATOM 0 HB3 TYR A 6 1.358 4.855 -0.353 1.00 0.92 H new ATOM 0 HD1 TYR A 6 -0.710 5.751 1.917 1.00 2.72 H new ATOM 0 HD2 TYR A 6 0.491 7.258 -1.923 1.00 2.50 H new ATOM 0 HE1 TYR A 6 -2.848 6.999 1.732 1.00 3.37 H new ATOM 0 HE2 TYR A 6 -1.543 8.679 -1.996 1.00 3.11 H new ATOM 0 HH TYR A 6 -3.434 9.266 -0.987 1.00 3.91 H new ATOM 85 N TYR A 7 4.385 4.949 1.518 1.00 0.87 N ATOM 86 CA TYR A 7 5.507 4.038 1.532 1.00 0.93 C ATOM 87 C TYR A 7 5.581 3.312 2.879 1.00 0.96 C ATOM 88 O TYR A 7 5.564 2.080 2.917 1.00 1.09 O ATOM 89 CB TYR A 7 6.798 4.788 1.202 1.00 1.15 C ATOM 90 CG TYR A 7 6.677 5.823 0.102 1.00 1.64 C ATOM 91 CD1 TYR A 7 6.632 5.422 -1.246 1.00 2.15 C ATOM 92 CD2 TYR A 7 6.543 7.185 0.434 1.00 3.00 C ATOM 93 CE1 TYR A 7 6.451 6.381 -2.257 1.00 3.08 C ATOM 94 CE2 TYR A 7 6.345 8.139 -0.578 1.00 3.82 C ATOM 95 CZ TYR A 7 6.292 7.735 -1.922 1.00 3.63 C ATOM 96 OH TYR A 7 6.015 8.639 -2.901 1.00 4.72 O ATOM 0 H TYR A 7 4.643 5.934 1.462 1.00 0.87 H new ATOM 0 HA TYR A 7 5.370 3.277 0.763 1.00 0.93 H new ATOM 0 HB2 TYR A 7 7.154 5.281 2.106 1.00 1.15 H new ATOM 0 HB3 TYR A 7 7.558 4.062 0.914 1.00 1.15 H new ATOM 0 HD1 TYR A 7 6.736 4.378 -1.503 1.00 2.15 H new ATOM 0 HD2 TYR A 7 6.592 7.496 1.467 1.00 3.00 H new ATOM 0 HE1 TYR A 7 6.434 6.076 -3.293 1.00 3.08 H new ATOM 0 HE2 TYR A 7 6.234 9.182 -0.323 1.00 3.82 H new ATOM 0 HH TYR A 7 5.158 9.074 -2.711 1.00 4.72 H new ATOM 106 N GLU A 8 5.646 4.049 3.994 1.00 0.99 N ATOM 107 CA GLU A 8 5.766 3.422 5.294 1.00 1.09 C ATOM 108 C GLU A 8 4.501 2.641 5.619 1.00 0.99 C ATOM 109 O GLU A 8 4.553 1.626 6.309 1.00 1.06 O ATOM 110 CB GLU A 8 6.039 4.458 6.389 1.00 1.39 C ATOM 111 CG GLU A 8 7.090 3.868 7.328 1.00 1.83 C ATOM 112 CD GLU A 8 7.033 4.442 8.721 1.00 2.43 C ATOM 113 OE1 GLU A 8 6.723 5.645 8.851 1.00 3.47 O ATOM 114 OE2 GLU A 8 7.297 3.697 9.684 1.00 2.89 O ATOM 0 H GLU A 8 5.617 5.068 4.012 1.00 0.99 H new ATOM 0 HA GLU A 8 6.613 2.736 5.259 1.00 1.09 H new ATOM 0 HB2 GLU A 8 6.395 5.392 5.953 1.00 1.39 H new ATOM 0 HB3 GLU A 8 5.124 4.689 6.935 1.00 1.39 H new ATOM 0 HG2 GLU A 8 6.954 2.788 7.382 1.00 1.83 H new ATOM 0 HG3 GLU A 8 8.081 4.044 6.910 1.00 1.83 H new ATOM 121 N ILE A 9 3.363 3.129 5.138 1.00 0.92 N ATOM 122 CA ILE A 9 2.100 2.437 5.255 1.00 0.89 C ATOM 123 C ILE A 9 2.220 0.994 4.756 1.00 0.89 C ATOM 124 O ILE A 9 1.660 0.097 5.390 1.00 1.17 O ATOM 125 CB ILE A 9 1.006 3.265 4.572 1.00 0.88 C ATOM 126 CG1 ILE A 9 0.516 4.330 5.569 1.00 1.27 C ATOM 127 CG2 ILE A 9 -0.135 2.404 4.024 1.00 1.01 C ATOM 128 CD1 ILE A 9 -0.226 5.491 4.904 1.00 1.06 C ATOM 0 H ILE A 9 3.298 4.024 4.653 1.00 0.92 H new ATOM 0 HA ILE A 9 1.807 2.343 6.301 1.00 0.89 H new ATOM 0 HB ILE A 9 1.424 3.756 3.693 1.00 0.88 H new ATOM 0 HG12 ILE A 9 -0.142 3.858 6.298 1.00 1.27 H new ATOM 0 HG13 ILE A 9 1.371 4.723 6.119 1.00 1.27 H new ATOM 0 HG21 ILE A 9 -0.880 3.045 3.552 1.00 1.01 H new ATOM 0 HG22 ILE A 9 0.259 1.703 3.289 1.00 1.01 H new ATOM 0 HG23 ILE A 9 -0.598 1.851 4.841 1.00 1.01 H new ATOM 0 HD11 ILE A 9 -0.543 6.204 5.665 1.00 1.06 H new ATOM 0 HD12 ILE A 9 0.436 5.988 4.195 1.00 1.06 H new ATOM 0 HD13 ILE A 9 -1.101 5.110 4.377 1.00 1.06 H new ATOM 140 N LEU A 10 2.938 0.743 3.656 1.00 0.76 N ATOM 141 CA LEU A 10 3.257 -0.633 3.313 1.00 0.84 C ATOM 142 C LEU A 10 4.333 -1.145 4.273 1.00 1.05 C ATOM 143 O LEU A 10 4.246 -2.257 4.798 1.00 1.37 O ATOM 144 CB LEU A 10 3.715 -0.746 1.856 1.00 0.99 C ATOM 145 CG LEU A 10 2.520 -0.846 0.898 1.00 0.89 C ATOM 146 CD1 LEU A 10 2.070 0.537 0.448 1.00 1.82 C ATOM 147 CD2 LEU A 10 2.862 -1.675 -0.332 1.00 2.05 C ATOM 0 H LEU A 10 3.295 1.450 3.013 1.00 0.76 H new ATOM 0 HA LEU A 10 2.363 -1.248 3.414 1.00 0.84 H new ATOM 0 HB2 LEU A 10 4.320 0.122 1.595 1.00 0.99 H new ATOM 0 HB3 LEU A 10 4.350 -1.624 1.740 1.00 0.99 H new ATOM 0 HG LEU A 10 1.713 -1.335 1.444 1.00 0.89 H new ATOM 0 HD11 LEU A 10 1.222 0.441 -0.230 1.00 1.82 H new ATOM 0 HD12 LEU A 10 1.775 1.124 1.317 1.00 1.82 H new ATOM 0 HD13 LEU A 10 2.891 1.037 -0.066 1.00 1.82 H new ATOM 0 HD21 LEU A 10 1.994 -1.726 -0.989 1.00 2.05 H new ATOM 0 HD22 LEU A 10 3.693 -1.212 -0.864 1.00 2.05 H new ATOM 0 HD23 LEU A 10 3.144 -2.682 -0.025 1.00 2.05 H new ATOM 159 N GLY A 11 5.365 -0.338 4.491 1.00 1.01 N ATOM 160 CA GLY A 11 6.428 -0.677 5.414 1.00 1.24 C ATOM 161 C GLY A 11 7.413 -1.484 4.602 1.00 1.30 C ATOM 162 O GLY A 11 7.544 -2.699 4.741 1.00 1.51 O ATOM 0 H GLY A 11 5.483 0.565 4.032 1.00 1.01 H new ATOM 0 HA2 GLY A 11 6.895 0.219 5.823 1.00 1.24 H new ATOM 0 HA3 GLY A 11 6.048 -1.252 6.258 1.00 1.24 H new ATOM 166 N VAL A 12 8.039 -0.777 3.672 1.00 1.20 N ATOM 167 CA VAL A 12 8.934 -1.285 2.658 1.00 1.28 C ATOM 168 C VAL A 12 10.112 -0.323 2.637 1.00 1.57 C ATOM 169 O VAL A 12 10.089 0.681 3.342 1.00 1.74 O ATOM 170 CB VAL A 12 8.154 -1.445 1.352 1.00 1.06 C ATOM 171 CG1 VAL A 12 7.522 -0.160 0.821 1.00 1.09 C ATOM 172 CG2 VAL A 12 8.952 -2.122 0.245 1.00 1.18 C ATOM 0 H VAL A 12 7.923 0.234 3.607 1.00 1.20 H new ATOM 0 HA VAL A 12 9.336 -2.281 2.846 1.00 1.28 H new ATOM 0 HB VAL A 12 7.337 -2.106 1.643 1.00 1.06 H new ATOM 0 HG11 VAL A 12 6.991 -0.372 -0.107 1.00 1.09 H new ATOM 0 HG12 VAL A 12 6.822 0.233 1.558 1.00 1.09 H new ATOM 0 HG13 VAL A 12 8.302 0.578 0.632 1.00 1.09 H new ATOM 0 HG21 VAL A 12 8.336 -2.202 -0.651 1.00 1.18 H new ATOM 0 HG22 VAL A 12 9.840 -1.531 0.023 1.00 1.18 H new ATOM 0 HG23 VAL A 12 9.251 -3.119 0.570 1.00 1.18 H new ATOM 182 N SER A 13 11.203 -0.677 1.975 1.00 1.78 N ATOM 183 CA SER A 13 12.464 0.003 2.206 1.00 2.39 C ATOM 184 C SER A 13 12.440 1.413 1.602 1.00 2.52 C ATOM 185 O SER A 13 12.650 1.563 0.400 1.00 2.89 O ATOM 186 CB SER A 13 13.613 -0.878 1.693 1.00 2.88 C ATOM 187 OG SER A 13 14.526 -1.102 2.750 1.00 3.82 O ATOM 0 H SER A 13 11.239 -1.424 1.281 1.00 1.78 H new ATOM 0 HA SER A 13 12.628 0.151 3.273 1.00 2.39 H new ATOM 0 HB2 SER A 13 13.224 -1.827 1.323 1.00 2.88 H new ATOM 0 HB3 SER A 13 14.116 -0.392 0.857 1.00 2.88 H new ATOM 0 HG SER A 13 15.262 -1.665 2.432 1.00 3.82 H new ATOM 193 N LYS A 14 12.187 2.435 2.425 1.00 2.80 N ATOM 194 CA LYS A 14 11.927 3.801 2.029 1.00 2.80 C ATOM 195 C LYS A 14 10.938 3.780 0.875 1.00 2.92 C ATOM 196 O LYS A 14 9.767 3.485 1.087 1.00 3.72 O ATOM 197 CB LYS A 14 13.223 4.588 1.758 1.00 2.84 C ATOM 198 CG LYS A 14 13.914 5.044 3.054 1.00 3.16 C ATOM 199 CD LYS A 14 14.693 3.951 3.795 1.00 4.56 C ATOM 200 CE LYS A 14 15.894 3.470 2.973 1.00 5.34 C ATOM 201 NZ LYS A 14 16.816 2.670 3.794 1.00 6.78 N ATOM 0 H LYS A 14 12.159 2.313 3.437 1.00 2.80 H new ATOM 0 HA LYS A 14 11.468 4.355 2.848 1.00 2.80 H new ATOM 0 HB2 LYS A 14 13.909 3.966 1.183 1.00 2.84 H new ATOM 0 HB3 LYS A 14 12.994 5.460 1.145 1.00 2.84 H new ATOM 0 HG2 LYS A 14 14.598 5.858 2.815 1.00 3.16 H new ATOM 0 HG3 LYS A 14 13.159 5.450 3.727 1.00 3.16 H new ATOM 0 HD2 LYS A 14 15.037 4.334 4.756 1.00 4.56 H new ATOM 0 HD3 LYS A 14 14.033 3.110 4.005 1.00 4.56 H new ATOM 0 HE2 LYS A 14 15.545 2.875 2.129 1.00 5.34 H new ATOM 0 HE3 LYS A 14 16.423 4.329 2.560 1.00 5.34 H new ATOM 0 HZ1 LYS A 14 17.619 2.358 3.211 1.00 6.78 H new ATOM 0 HZ2 LYS A 14 17.166 3.247 4.585 1.00 6.78 H new ATOM 0 HZ3 LYS A 14 16.316 1.838 4.167 1.00 6.78 H new ATOM 215 N THR A 15 11.408 4.049 -0.330 1.00 2.53 N ATOM 216 CA THR A 15 10.589 4.479 -1.439 1.00 2.78 C ATOM 217 C THR A 15 10.804 3.511 -2.601 1.00 2.33 C ATOM 218 O THR A 15 10.874 3.909 -3.762 1.00 2.57 O ATOM 219 CB THR A 15 11.038 5.924 -1.695 1.00 3.36 C ATOM 220 OG1 THR A 15 12.459 5.962 -1.718 1.00 3.44 O ATOM 221 CG2 THR A 15 10.573 6.768 -0.498 1.00 4.11 C ATOM 0 H THR A 15 12.397 3.971 -0.566 1.00 2.53 H new ATOM 0 HA THR A 15 9.513 4.468 -1.267 1.00 2.78 H new ATOM 0 HB THR A 15 10.629 6.294 -2.635 1.00 3.36 H new ATOM 0 HG1 THR A 15 12.759 6.880 -1.883 1.00 3.44 H new ATOM 0 HG21 THR A 15 10.875 7.805 -0.645 1.00 4.11 H new ATOM 0 HG22 THR A 15 9.487 6.715 -0.415 1.00 4.11 H new ATOM 0 HG23 THR A 15 11.026 6.384 0.416 1.00 4.11 H new ATOM 229 N ALA A 16 10.964 2.231 -2.253 1.00 2.00 N ATOM 230 CA ALA A 16 11.307 1.161 -3.173 1.00 1.82 C ATOM 231 C ALA A 16 10.377 1.106 -4.389 1.00 1.79 C ATOM 232 O ALA A 16 9.234 1.557 -4.339 1.00 1.93 O ATOM 233 CB ALA A 16 11.294 -0.177 -2.432 1.00 2.01 C ATOM 0 H ALA A 16 10.853 1.909 -1.292 1.00 2.00 H new ATOM 0 HA ALA A 16 12.308 1.365 -3.554 1.00 1.82 H new ATOM 0 HB1 ALA A 16 11.552 -0.979 -3.124 1.00 2.01 H new ATOM 0 HB2 ALA A 16 12.021 -0.151 -1.620 1.00 2.01 H new ATOM 0 HB3 ALA A 16 10.300 -0.357 -2.023 1.00 2.01 H new ATOM 239 N GLU A 17 10.897 0.548 -5.478 1.00 1.77 N ATOM 240 CA GLU A 17 10.230 0.446 -6.755 1.00 1.82 C ATOM 241 C GLU A 17 8.971 -0.426 -6.662 1.00 1.55 C ATOM 242 O GLU A 17 8.851 -1.263 -5.762 1.00 1.37 O ATOM 243 CB GLU A 17 11.279 -0.121 -7.720 1.00 2.03 C ATOM 244 CG GLU A 17 10.952 0.096 -9.194 1.00 2.21 C ATOM 245 CD GLU A 17 10.564 -1.215 -9.830 1.00 2.08 C ATOM 246 OE1 GLU A 17 11.457 -2.049 -10.080 1.00 2.59 O ATOM 247 OE2 GLU A 17 9.358 -1.411 -10.057 1.00 2.67 O ATOM 0 H GLU A 17 11.832 0.141 -5.487 1.00 1.77 H new ATOM 0 HA GLU A 17 9.868 1.412 -7.107 1.00 1.82 H new ATOM 0 HB2 GLU A 17 12.243 0.338 -7.502 1.00 2.03 H new ATOM 0 HB3 GLU A 17 11.386 -1.190 -7.536 1.00 2.03 H new ATOM 0 HG2 GLU A 17 10.138 0.814 -9.293 1.00 2.21 H new ATOM 0 HG3 GLU A 17 11.815 0.519 -9.709 1.00 2.21 H new ATOM 254 N GLU A 18 8.069 -0.282 -7.635 1.00 1.57 N ATOM 255 CA GLU A 18 6.793 -0.971 -7.681 1.00 1.42 C ATOM 256 C GLU A 18 7.002 -2.482 -7.552 1.00 1.37 C ATOM 257 O GLU A 18 6.229 -3.182 -6.905 1.00 1.26 O ATOM 258 CB GLU A 18 6.113 -0.716 -9.030 1.00 1.63 C ATOM 259 CG GLU A 18 5.784 0.751 -9.325 1.00 2.62 C ATOM 260 CD GLU A 18 5.439 0.894 -10.790 1.00 3.44 C ATOM 261 OE1 GLU A 18 4.507 0.211 -11.251 1.00 3.47 O ATOM 262 OE2 GLU A 18 6.241 1.521 -11.512 1.00 4.75 O ATOM 0 H GLU A 18 8.218 0.337 -8.432 1.00 1.57 H new ATOM 0 HA GLU A 18 6.179 -0.600 -6.860 1.00 1.42 H new ATOM 0 HB2 GLU A 18 6.759 -1.094 -9.822 1.00 1.63 H new ATOM 0 HB3 GLU A 18 5.190 -1.294 -9.069 1.00 1.63 H new ATOM 0 HG2 GLU A 18 4.948 1.081 -8.708 1.00 2.62 H new ATOM 0 HG3 GLU A 18 6.635 1.385 -9.075 1.00 2.62 H new ATOM 269 N ARG A 19 8.056 -2.994 -8.179 1.00 1.50 N ATOM 270 CA ARG A 19 8.440 -4.390 -8.110 1.00 1.54 C ATOM 271 C ARG A 19 8.527 -4.887 -6.662 1.00 1.31 C ATOM 272 O ARG A 19 8.171 -6.037 -6.379 1.00 1.35 O ATOM 273 CB ARG A 19 9.787 -4.544 -8.824 1.00 1.85 C ATOM 274 CG ARG A 19 10.159 -6.009 -9.028 1.00 2.12 C ATOM 275 CD ARG A 19 9.334 -6.639 -10.159 1.00 2.03 C ATOM 276 NE ARG A 19 10.108 -6.700 -11.412 1.00 2.79 N ATOM 277 CZ ARG A 19 10.815 -7.744 -11.872 1.00 3.19 C ATOM 278 NH1 ARG A 19 10.877 -8.870 -11.163 1.00 3.34 N ATOM 279 NH2 ARG A 19 11.487 -7.630 -13.017 1.00 4.24 N ATOM 0 H ARG A 19 8.678 -2.433 -8.761 1.00 1.50 H new ATOM 0 HA ARG A 19 7.680 -5.000 -8.598 1.00 1.54 H new ATOM 0 HB2 ARG A 19 9.745 -4.042 -9.791 1.00 1.85 H new ATOM 0 HB3 ARG A 19 10.565 -4.050 -8.242 1.00 1.85 H new ATOM 0 HG2 ARG A 19 11.221 -6.088 -9.261 1.00 2.12 H new ATOM 0 HG3 ARG A 19 9.994 -6.561 -8.103 1.00 2.12 H new ATOM 0 HD2 ARG A 19 9.024 -7.643 -9.871 1.00 2.03 H new ATOM 0 HD3 ARG A 19 8.425 -6.058 -10.317 1.00 2.03 H new ATOM 0 HE ARG A 19 10.106 -5.860 -11.991 1.00 2.79 H new ATOM 0 HH11 ARG A 19 10.387 -8.939 -10.271 1.00 3.34 H new ATOM 0 HH12 ARG A 19 11.414 -9.664 -11.512 1.00 3.34 H new ATOM 0 HH21 ARG A 19 11.462 -6.753 -13.538 1.00 4.24 H new ATOM 0 HH22 ARG A 19 12.026 -8.419 -13.373 1.00 4.24 H new ATOM 293 N GLU A 20 9.038 -4.045 -5.760 1.00 1.19 N ATOM 294 CA GLU A 20 9.172 -4.337 -4.345 1.00 1.04 C ATOM 295 C GLU A 20 7.857 -3.992 -3.632 1.00 0.83 C ATOM 296 O GLU A 20 7.434 -4.730 -2.746 1.00 0.69 O ATOM 297 CB GLU A 20 10.384 -3.590 -3.774 1.00 1.20 C ATOM 298 CG GLU A 20 10.708 -3.927 -2.305 1.00 1.19 C ATOM 299 CD GLU A 20 11.170 -5.350 -2.059 1.00 1.97 C ATOM 300 OE1 GLU A 20 11.553 -6.037 -3.026 1.00 3.08 O ATOM 301 OE2 GLU A 20 11.213 -5.755 -0.877 1.00 3.26 O ATOM 0 H GLU A 20 9.378 -3.116 -6.009 1.00 1.19 H new ATOM 0 HA GLU A 20 9.357 -5.399 -4.184 1.00 1.04 H new ATOM 0 HB2 GLU A 20 11.257 -3.817 -4.387 1.00 1.20 H new ATOM 0 HB3 GLU A 20 10.206 -2.518 -3.857 1.00 1.20 H new ATOM 0 HG2 GLU A 20 11.482 -3.244 -1.954 1.00 1.19 H new ATOM 0 HG3 GLU A 20 9.820 -3.740 -1.701 1.00 1.19 H new ATOM 308 N ILE A 21 7.161 -2.929 -4.046 1.00 0.85 N ATOM 309 CA ILE A 21 5.819 -2.616 -3.544 1.00 0.71 C ATOM 310 C ILE A 21 4.908 -3.836 -3.721 1.00 0.68 C ATOM 311 O ILE A 21 4.090 -4.130 -2.855 1.00 0.64 O ATOM 312 CB ILE A 21 5.247 -1.380 -4.271 1.00 0.82 C ATOM 313 CG1 ILE A 21 6.046 -0.092 -4.016 1.00 0.90 C ATOM 314 CG2 ILE A 21 3.764 -1.125 -3.998 1.00 0.83 C ATOM 315 CD1 ILE A 21 6.104 0.281 -2.537 1.00 0.96 C ATOM 0 H ILE A 21 7.510 -2.263 -4.736 1.00 0.85 H new ATOM 0 HA ILE A 21 5.876 -2.377 -2.482 1.00 0.71 H new ATOM 0 HB ILE A 21 5.349 -1.644 -5.324 1.00 0.82 H new ATOM 0 HG12 ILE A 21 7.060 -0.217 -4.395 1.00 0.90 H new ATOM 0 HG13 ILE A 21 5.595 0.727 -4.576 1.00 0.90 H new ATOM 0 HG21 ILE A 21 3.440 -0.240 -4.545 1.00 0.83 H new ATOM 0 HG22 ILE A 21 3.181 -1.986 -4.324 1.00 0.83 H new ATOM 0 HG23 ILE A 21 3.613 -0.967 -2.930 1.00 0.83 H new ATOM 0 HD11 ILE A 21 6.680 1.198 -2.415 1.00 0.96 H new ATOM 0 HD12 ILE A 21 5.093 0.435 -2.161 1.00 0.96 H new ATOM 0 HD13 ILE A 21 6.580 -0.524 -1.977 1.00 0.96 H new ATOM 327 N ARG A 22 5.072 -4.579 -4.814 1.00 0.84 N ATOM 328 CA ARG A 22 4.396 -5.843 -5.045 1.00 0.98 C ATOM 329 C ARG A 22 4.644 -6.797 -3.872 1.00 0.81 C ATOM 330 O ARG A 22 3.708 -7.370 -3.313 1.00 0.83 O ATOM 331 CB ARG A 22 4.901 -6.460 -6.362 1.00 1.32 C ATOM 332 CG ARG A 22 3.749 -6.964 -7.234 1.00 1.59 C ATOM 333 CD ARG A 22 3.198 -5.806 -8.078 1.00 1.55 C ATOM 334 NE ARG A 22 1.917 -6.141 -8.714 1.00 1.72 N ATOM 335 CZ ARG A 22 1.704 -7.067 -9.661 1.00 2.46 C ATOM 336 NH1 ARG A 22 2.703 -7.765 -10.201 1.00 3.89 N ATOM 337 NH2 ARG A 22 0.457 -7.298 -10.062 1.00 2.58 N ATOM 0 H ARG A 22 5.693 -4.309 -5.577 1.00 0.84 H new ATOM 0 HA ARG A 22 3.322 -5.671 -5.123 1.00 0.98 H new ATOM 0 HB2 ARG A 22 5.476 -5.717 -6.914 1.00 1.32 H new ATOM 0 HB3 ARG A 22 5.577 -7.286 -6.140 1.00 1.32 H new ATOM 0 HG2 ARG A 22 4.096 -7.768 -7.883 1.00 1.59 H new ATOM 0 HG3 ARG A 22 2.959 -7.379 -6.607 1.00 1.59 H new ATOM 0 HD2 ARG A 22 3.069 -4.928 -7.446 1.00 1.55 H new ATOM 0 HD3 ARG A 22 3.924 -5.541 -8.846 1.00 1.55 H new ATOM 0 HE ARG A 22 1.102 -5.613 -8.402 1.00 1.72 H new ATOM 0 HH11 ARG A 22 3.662 -7.602 -9.896 1.00 3.89 H new ATOM 0 HH12 ARG A 22 2.508 -8.462 -10.919 1.00 3.89 H new ATOM 0 HH21 ARG A 22 -0.316 -6.775 -9.651 1.00 2.58 H new ATOM 0 HH22 ARG A 22 0.274 -7.998 -10.781 1.00 2.58 H new ATOM 351 N LYS A 23 5.920 -6.968 -3.519 1.00 0.75 N ATOM 352 CA LYS A 23 6.353 -7.839 -2.453 1.00 0.69 C ATOM 353 C LYS A 23 5.711 -7.383 -1.151 1.00 0.59 C ATOM 354 O LYS A 23 5.120 -8.194 -0.446 1.00 0.61 O ATOM 355 CB LYS A 23 7.886 -7.883 -2.321 1.00 0.72 C ATOM 356 CG LYS A 23 8.641 -8.078 -3.642 1.00 1.40 C ATOM 357 CD LYS A 23 8.496 -9.490 -4.216 1.00 1.19 C ATOM 358 CE LYS A 23 9.192 -9.609 -5.581 1.00 1.60 C ATOM 359 NZ LYS A 23 8.521 -8.841 -6.655 1.00 2.73 N ATOM 0 H LYS A 23 6.690 -6.488 -3.985 1.00 0.75 H new ATOM 0 HA LYS A 23 6.035 -8.855 -2.688 1.00 0.69 H new ATOM 0 HB2 LYS A 23 8.223 -6.955 -1.860 1.00 0.72 H new ATOM 0 HB3 LYS A 23 8.155 -8.692 -1.642 1.00 0.72 H new ATOM 0 HG2 LYS A 23 8.275 -7.356 -4.372 1.00 1.40 H new ATOM 0 HG3 LYS A 23 9.698 -7.864 -3.484 1.00 1.40 H new ATOM 0 HD2 LYS A 23 8.924 -10.213 -3.522 1.00 1.19 H new ATOM 0 HD3 LYS A 23 7.439 -9.736 -4.321 1.00 1.19 H new ATOM 0 HE2 LYS A 23 10.221 -9.263 -5.487 1.00 1.60 H new ATOM 0 HE3 LYS A 23 9.234 -10.660 -5.868 1.00 1.60 H new ATOM 0 HZ1 LYS A 23 9.021 -8.992 -7.554 1.00 2.73 H new ATOM 0 HZ2 LYS A 23 7.536 -9.162 -6.748 1.00 2.73 H new ATOM 0 HZ3 LYS A 23 8.534 -7.829 -6.418 1.00 2.73 H new ATOM 373 N ALA A 24 5.828 -6.091 -0.831 1.00 0.54 N ATOM 374 CA ALA A 24 5.230 -5.536 0.365 1.00 0.50 C ATOM 375 C ALA A 24 3.743 -5.847 0.402 1.00 0.54 C ATOM 376 O ALA A 24 3.280 -6.414 1.377 1.00 0.61 O ATOM 377 CB ALA A 24 5.462 -4.033 0.437 1.00 0.57 C ATOM 0 H ALA A 24 6.338 -5.412 -1.396 1.00 0.54 H new ATOM 0 HA ALA A 24 5.705 -5.995 1.232 1.00 0.50 H new ATOM 0 HB1 ALA A 24 5.004 -3.637 1.344 1.00 0.57 H new ATOM 0 HB2 ALA A 24 6.533 -3.831 0.453 1.00 0.57 H new ATOM 0 HB3 ALA A 24 5.015 -3.554 -0.434 1.00 0.57 H new ATOM 383 N TYR A 25 2.994 -5.500 -0.643 1.00 0.57 N ATOM 384 CA TYR A 25 1.556 -5.727 -0.684 1.00 0.66 C ATOM 385 C TYR A 25 1.230 -7.194 -0.411 1.00 0.74 C ATOM 386 O TYR A 25 0.418 -7.518 0.459 1.00 0.79 O ATOM 387 CB TYR A 25 0.989 -5.287 -2.036 1.00 0.74 C ATOM 388 CG TYR A 25 -0.525 -5.363 -2.096 1.00 0.68 C ATOM 389 CD1 TYR A 25 -1.168 -6.576 -2.405 1.00 1.66 C ATOM 390 CD2 TYR A 25 -1.287 -4.262 -1.673 1.00 1.81 C ATOM 391 CE1 TYR A 25 -2.556 -6.705 -2.219 1.00 1.58 C ATOM 392 CE2 TYR A 25 -2.683 -4.367 -1.563 1.00 2.09 C ATOM 393 CZ TYR A 25 -3.313 -5.601 -1.792 1.00 1.14 C ATOM 394 OH TYR A 25 -4.671 -5.695 -1.686 1.00 1.55 O ATOM 0 H TYR A 25 3.368 -5.055 -1.481 1.00 0.57 H new ATOM 0 HA TYR A 25 1.089 -5.129 0.098 1.00 0.66 H new ATOM 0 HB2 TYR A 25 1.304 -4.264 -2.241 1.00 0.74 H new ATOM 0 HB3 TYR A 25 1.410 -5.914 -2.822 1.00 0.74 H new ATOM 0 HD1 TYR A 25 -0.595 -7.409 -2.785 1.00 1.66 H new ATOM 0 HD2 TYR A 25 -0.797 -3.330 -1.431 1.00 1.81 H new ATOM 0 HE1 TYR A 25 -3.040 -7.653 -2.404 1.00 1.58 H new ATOM 0 HE2 TYR A 25 -3.272 -3.500 -1.303 1.00 2.09 H new ATOM 0 HH TYR A 25 -4.973 -5.198 -0.897 1.00 1.55 H new ATOM 404 N LYS A 26 1.824 -8.099 -1.185 1.00 0.82 N ATOM 405 CA LYS A 26 1.464 -9.494 -1.098 1.00 1.03 C ATOM 406 C LYS A 26 1.876 -10.064 0.264 1.00 1.11 C ATOM 407 O LYS A 26 1.105 -10.789 0.890 1.00 1.23 O ATOM 408 CB LYS A 26 2.013 -10.259 -2.308 1.00 1.24 C ATOM 409 CG LYS A 26 1.220 -11.533 -2.645 1.00 2.32 C ATOM 410 CD LYS A 26 -0.096 -11.335 -3.429 1.00 3.62 C ATOM 411 CE LYS A 26 -1.355 -11.137 -2.560 1.00 4.66 C ATOM 412 NZ LYS A 26 -2.605 -11.211 -3.345 1.00 5.81 N ATOM 0 H LYS A 26 2.549 -7.885 -1.870 1.00 0.82 H new ATOM 0 HA LYS A 26 0.382 -9.612 -1.146 1.00 1.03 H new ATOM 0 HB2 LYS A 26 2.010 -9.599 -3.176 1.00 1.24 H new ATOM 0 HB3 LYS A 26 3.052 -10.528 -2.116 1.00 1.24 H new ATOM 0 HG2 LYS A 26 1.866 -12.195 -3.223 1.00 2.32 H new ATOM 0 HG3 LYS A 26 0.988 -12.048 -1.713 1.00 2.32 H new ATOM 0 HD2 LYS A 26 0.015 -10.469 -4.082 1.00 3.62 H new ATOM 0 HD3 LYS A 26 -0.251 -12.201 -4.072 1.00 3.62 H new ATOM 0 HE2 LYS A 26 -1.376 -11.897 -1.779 1.00 4.66 H new ATOM 0 HE3 LYS A 26 -1.300 -10.169 -2.062 1.00 4.66 H new ATOM 0 HZ1 LYS A 26 -3.420 -11.072 -2.714 1.00 5.81 H new ATOM 0 HZ2 LYS A 26 -2.601 -10.470 -4.075 1.00 5.81 H new ATOM 0 HZ3 LYS A 26 -2.675 -12.144 -3.800 1.00 5.81 H new ATOM 426 N ARG A 27 3.072 -9.711 0.741 1.00 1.06 N ATOM 427 CA ARG A 27 3.530 -10.097 2.065 1.00 1.14 C ATOM 428 C ARG A 27 2.570 -9.566 3.124 1.00 1.10 C ATOM 429 O ARG A 27 2.171 -10.301 4.017 1.00 1.18 O ATOM 430 CB ARG A 27 4.962 -9.621 2.334 1.00 1.17 C ATOM 431 CG ARG A 27 5.394 -10.074 3.738 1.00 1.81 C ATOM 432 CD ARG A 27 6.914 -10.158 3.856 1.00 2.12 C ATOM 433 NE ARG A 27 7.563 -8.841 3.757 1.00 2.44 N ATOM 434 CZ ARG A 27 8.859 -8.670 3.453 1.00 3.70 C ATOM 435 NH1 ARG A 27 9.604 -9.708 3.069 1.00 4.53 N ATOM 436 NH2 ARG A 27 9.414 -7.463 3.536 1.00 4.79 N ATOM 0 H ARG A 27 3.744 -9.151 0.217 1.00 1.06 H new ATOM 0 HA ARG A 27 3.542 -11.186 2.113 1.00 1.14 H new ATOM 0 HB2 ARG A 27 5.640 -10.028 1.584 1.00 1.17 H new ATOM 0 HB3 ARG A 27 5.017 -8.535 2.257 1.00 1.17 H new ATOM 0 HG2 ARG A 27 5.008 -9.376 4.481 1.00 1.81 H new ATOM 0 HG3 ARG A 27 4.957 -11.048 3.958 1.00 1.81 H new ATOM 0 HD2 ARG A 27 7.176 -10.617 4.809 1.00 2.12 H new ATOM 0 HD3 ARG A 27 7.300 -10.809 3.072 1.00 2.12 H new ATOM 0 HE ARG A 27 6.996 -8.011 3.929 1.00 2.44 H new ATOM 0 HH11 ARG A 27 9.189 -10.638 3.005 1.00 4.53 H new ATOM 0 HH12 ARG A 27 10.588 -9.572 2.839 1.00 4.53 H new ATOM 0 HH21 ARG A 27 8.854 -6.663 3.832 1.00 4.79 H new ATOM 0 HH22 ARG A 27 10.399 -7.338 3.304 1.00 4.79 H new ATOM 450 N LEU A 28 2.203 -8.293 3.037 1.00 1.00 N ATOM 451 CA LEU A 28 1.298 -7.649 3.968 1.00 0.98 C ATOM 452 C LEU A 28 0.013 -8.453 4.036 1.00 0.98 C ATOM 453 O LEU A 28 -0.482 -8.702 5.127 1.00 0.99 O ATOM 454 CB LEU A 28 0.969 -6.225 3.517 1.00 1.09 C ATOM 455 CG LEU A 28 2.020 -5.196 3.948 1.00 1.34 C ATOM 456 CD1 LEU A 28 1.953 -3.962 3.048 1.00 2.02 C ATOM 457 CD2 LEU A 28 1.785 -4.763 5.399 1.00 1.37 C ATOM 0 H LEU A 28 2.536 -7.671 2.300 1.00 1.00 H new ATOM 0 HA LEU A 28 1.777 -7.602 4.946 1.00 0.98 H new ATOM 0 HB2 LEU A 28 0.877 -6.207 2.431 1.00 1.09 H new ATOM 0 HB3 LEU A 28 -0.000 -5.937 3.924 1.00 1.09 H new ATOM 0 HG LEU A 28 3.002 -5.661 3.862 1.00 1.34 H new ATOM 0 HD11 LEU A 28 2.705 -3.239 3.365 1.00 2.02 H new ATOM 0 HD12 LEU A 28 2.143 -4.254 2.015 1.00 2.02 H new ATOM 0 HD13 LEU A 28 0.963 -3.512 3.121 1.00 2.02 H new ATOM 0 HD21 LEU A 28 2.541 -4.032 5.688 1.00 1.37 H new ATOM 0 HD22 LEU A 28 0.795 -4.316 5.490 1.00 1.37 H new ATOM 0 HD23 LEU A 28 1.852 -5.632 6.053 1.00 1.37 H new ATOM 469 N ALA A 29 -0.528 -8.861 2.886 1.00 1.02 N ATOM 470 CA ALA A 29 -1.756 -9.633 2.871 1.00 1.10 C ATOM 471 C ALA A 29 -1.602 -10.878 3.753 1.00 1.13 C ATOM 472 O ALA A 29 -2.390 -11.079 4.670 1.00 1.16 O ATOM 473 CB ALA A 29 -2.162 -9.994 1.438 1.00 1.19 C ATOM 0 H ALA A 29 -0.134 -8.668 1.965 1.00 1.02 H new ATOM 0 HA ALA A 29 -2.561 -9.025 3.284 1.00 1.10 H new ATOM 0 HB1 ALA A 29 -3.086 -10.572 1.456 1.00 1.19 H new ATOM 0 HB2 ALA A 29 -2.317 -9.081 0.863 1.00 1.19 H new ATOM 0 HB3 ALA A 29 -1.373 -10.585 0.974 1.00 1.19 H new ATOM 479 N MET A 30 -0.579 -11.705 3.516 1.00 1.29 N ATOM 480 CA MET A 30 -0.372 -12.896 4.337 1.00 1.40 C ATOM 481 C MET A 30 -0.064 -12.543 5.801 1.00 1.42 C ATOM 482 O MET A 30 -0.485 -13.261 6.707 1.00 1.52 O ATOM 483 CB MET A 30 0.653 -13.865 3.717 1.00 1.67 C ATOM 484 CG MET A 30 2.011 -13.231 3.398 1.00 2.12 C ATOM 485 SD MET A 30 3.356 -14.330 2.874 1.00 2.78 S ATOM 486 CE MET A 30 2.543 -15.283 1.574 1.00 3.16 C ATOM 0 H MET A 30 0.108 -11.573 2.773 1.00 1.29 H new ATOM 0 HA MET A 30 -1.317 -13.439 4.352 1.00 1.40 H new ATOM 0 HB2 MET A 30 0.807 -14.699 4.402 1.00 1.67 H new ATOM 0 HB3 MET A 30 0.235 -14.279 2.800 1.00 1.67 H new ATOM 0 HG2 MET A 30 1.859 -12.490 2.613 1.00 2.12 H new ATOM 0 HG3 MET A 30 2.345 -12.692 4.284 1.00 2.12 H new ATOM 0 HE1 MET A 30 3.270 -15.940 1.096 1.00 3.16 H new ATOM 0 HE2 MET A 30 1.743 -15.882 2.008 1.00 3.16 H new ATOM 0 HE3 MET A 30 2.125 -14.603 0.832 1.00 3.16 H new ATOM 496 N LYS A 31 0.665 -11.451 6.041 1.00 1.46 N ATOM 497 CA LYS A 31 1.016 -10.980 7.374 1.00 1.57 C ATOM 498 C LYS A 31 -0.266 -10.705 8.163 1.00 1.58 C ATOM 499 O LYS A 31 -0.420 -11.154 9.299 1.00 1.77 O ATOM 500 CB LYS A 31 1.914 -9.730 7.263 1.00 1.68 C ATOM 501 CG LYS A 31 2.622 -9.346 8.573 1.00 1.57 C ATOM 502 CD LYS A 31 3.582 -8.155 8.377 1.00 2.33 C ATOM 503 CE LYS A 31 2.887 -6.797 8.568 1.00 2.77 C ATOM 504 NZ LYS A 31 3.782 -5.648 8.289 1.00 4.35 N ATOM 0 H LYS A 31 1.033 -10.860 5.296 1.00 1.46 H new ATOM 0 HA LYS A 31 1.583 -11.740 7.912 1.00 1.57 H new ATOM 0 HB2 LYS A 31 2.666 -9.904 6.494 1.00 1.68 H new ATOM 0 HB3 LYS A 31 1.307 -8.888 6.931 1.00 1.68 H new ATOM 0 HG2 LYS A 31 1.878 -9.092 9.328 1.00 1.57 H new ATOM 0 HG3 LYS A 31 3.179 -10.204 8.950 1.00 1.57 H new ATOM 0 HD2 LYS A 31 4.408 -8.239 9.084 1.00 2.33 H new ATOM 0 HD3 LYS A 31 4.012 -8.201 7.377 1.00 2.33 H new ATOM 0 HE2 LYS A 31 2.019 -6.743 7.911 1.00 2.77 H new ATOM 0 HE3 LYS A 31 2.518 -6.724 9.591 1.00 2.77 H new ATOM 0 HZ1 LYS A 31 3.261 -4.759 8.434 1.00 4.35 H new ATOM 0 HZ2 LYS A 31 4.598 -5.680 8.933 1.00 4.35 H new ATOM 0 HZ3 LYS A 31 4.115 -5.698 7.305 1.00 4.35 H new ATOM 518 N TYR A 32 -1.166 -9.945 7.547 1.00 1.55 N ATOM 519 CA TYR A 32 -2.439 -9.527 8.109 1.00 1.76 C ATOM 520 C TYR A 32 -3.439 -10.677 8.126 1.00 1.79 C ATOM 521 O TYR A 32 -4.291 -10.723 9.008 1.00 2.48 O ATOM 522 CB TYR A 32 -2.989 -8.321 7.324 1.00 2.27 C ATOM 523 CG TYR A 32 -2.578 -6.985 7.913 1.00 1.55 C ATOM 524 CD1 TYR A 32 -1.225 -6.743 8.216 1.00 2.79 C ATOM 525 CD2 TYR A 32 -3.566 -6.122 8.423 1.00 2.11 C ATOM 526 CE1 TYR A 32 -0.881 -5.760 9.160 1.00 3.73 C ATOM 527 CE2 TYR A 32 -3.223 -5.141 9.367 1.00 3.27 C ATOM 528 CZ TYR A 32 -1.888 -4.997 9.772 1.00 3.88 C ATOM 529 OH TYR A 32 -1.605 -4.198 10.838 1.00 5.63 O ATOM 0 H TYR A 32 -1.019 -9.590 6.602 1.00 1.55 H new ATOM 0 HA TYR A 32 -2.279 -9.224 9.144 1.00 1.76 H new ATOM 0 HB2 TYR A 32 -2.641 -8.378 6.293 1.00 2.27 H new ATOM 0 HB3 TYR A 32 -4.077 -8.379 7.297 1.00 2.27 H new ATOM 0 HD1 TYR A 32 -0.451 -7.313 7.723 1.00 2.79 H new ATOM 0 HD2 TYR A 32 -4.589 -6.214 8.088 1.00 2.11 H new ATOM 0 HE1 TYR A 32 0.155 -5.592 9.414 1.00 3.73 H new ATOM 0 HE2 TYR A 32 -3.986 -4.498 9.781 1.00 3.27 H new ATOM 0 HH TYR A 32 -2.422 -3.743 11.132 1.00 5.63 H new ATOM 539 N HIS A 33 -3.345 -11.598 7.170 1.00 1.62 N ATOM 540 CA HIS A 33 -4.239 -12.718 6.965 1.00 1.79 C ATOM 541 C HIS A 33 -5.700 -12.307 7.186 1.00 1.95 C ATOM 542 O HIS A 33 -6.275 -12.594 8.236 1.00 2.12 O ATOM 543 CB HIS A 33 -3.755 -13.832 7.883 1.00 2.04 C ATOM 544 CG HIS A 33 -4.555 -15.111 7.858 1.00 2.97 C ATOM 545 ND1 HIS A 33 -5.205 -15.639 6.764 1.00 3.23 N ATOM 546 CD2 HIS A 33 -4.553 -16.071 8.835 1.00 4.60 C ATOM 547 CE1 HIS A 33 -5.572 -16.893 7.079 1.00 4.25 C ATOM 548 NE2 HIS A 33 -5.173 -17.217 8.323 1.00 5.19 N ATOM 0 H HIS A 33 -2.595 -11.574 6.480 1.00 1.62 H new ATOM 0 HA HIS A 33 -4.219 -13.077 5.936 1.00 1.79 H new ATOM 0 HB2 HIS A 33 -2.724 -14.068 7.621 1.00 2.04 H new ATOM 0 HB3 HIS A 33 -3.746 -13.454 8.905 1.00 2.04 H new ATOM 0 HD1 HIS A 33 -5.376 -15.165 5.877 1.00 3.23 H new ATOM 0 HD2 HIS A 33 -4.144 -15.963 9.829 1.00 4.60 H new ATOM 0 HE1 HIS A 33 -6.116 -17.554 6.420 1.00 4.25 H new ATOM 556 N PRO A 34 -6.294 -11.592 6.219 1.00 2.43 N ATOM 557 CA PRO A 34 -7.684 -11.193 6.285 1.00 3.00 C ATOM 558 C PRO A 34 -8.525 -12.455 6.091 1.00 3.27 C ATOM 559 O PRO A 34 -8.902 -12.800 4.972 1.00 4.14 O ATOM 560 CB PRO A 34 -7.855 -10.151 5.175 1.00 3.76 C ATOM 561 CG PRO A 34 -6.811 -10.552 4.131 1.00 3.80 C ATOM 562 CD PRO A 34 -5.691 -11.194 4.955 1.00 2.91 C ATOM 0 HA PRO A 34 -7.998 -10.750 7.230 1.00 3.00 H new ATOM 0 HB2 PRO A 34 -8.863 -10.171 4.760 1.00 3.76 H new ATOM 0 HB3 PRO A 34 -7.682 -9.141 5.545 1.00 3.76 H new ATOM 0 HG2 PRO A 34 -7.222 -11.251 3.403 1.00 3.80 H new ATOM 0 HG3 PRO A 34 -6.451 -9.687 3.574 1.00 3.80 H new ATOM 0 HD2 PRO A 34 -5.271 -12.055 4.436 1.00 2.91 H new ATOM 0 HD3 PRO A 34 -4.875 -10.490 5.118 1.00 2.91 H new ATOM 570 N ASP A 35 -8.737 -13.190 7.177 1.00 3.03 N ATOM 571 CA ASP A 35 -9.484 -14.434 7.245 1.00 3.41 C ATOM 572 C ASP A 35 -10.296 -14.376 8.530 1.00 3.09 C ATOM 573 O ASP A 35 -9.803 -13.855 9.533 1.00 3.59 O ATOM 574 CB ASP A 35 -8.507 -15.616 7.260 1.00 3.85 C ATOM 575 CG ASP A 35 -9.175 -16.964 7.446 1.00 4.54 C ATOM 576 OD1 ASP A 35 -10.402 -17.048 7.245 1.00 5.36 O ATOM 577 OD2 ASP A 35 -8.447 -17.908 7.833 1.00 4.96 O ATOM 0 H ASP A 35 -8.368 -12.914 8.087 1.00 3.03 H new ATOM 0 HA ASP A 35 -10.141 -14.566 6.385 1.00 3.41 H new ATOM 0 HB2 ASP A 35 -7.948 -15.625 6.324 1.00 3.85 H new ATOM 0 HB3 ASP A 35 -7.784 -15.466 8.062 1.00 3.85 H new ATOM 582 N ARG A 36 -11.524 -14.897 8.477 1.00 3.12 N ATOM 583 CA ARG A 36 -12.542 -14.968 9.526 1.00 2.95 C ATOM 584 C ARG A 36 -12.392 -13.841 10.555 1.00 2.70 C ATOM 585 O ARG A 36 -12.370 -14.089 11.760 1.00 3.01 O ATOM 586 CB ARG A 36 -12.541 -16.363 10.189 1.00 3.13 C ATOM 587 CG ARG A 36 -11.141 -16.873 10.564 1.00 3.40 C ATOM 588 CD ARG A 36 -10.999 -18.399 10.558 1.00 4.17 C ATOM 589 NE ARG A 36 -9.654 -18.736 10.074 1.00 4.80 N ATOM 590 CZ ARG A 36 -8.526 -18.729 10.794 1.00 5.06 C ATOM 591 NH1 ARG A 36 -8.574 -18.817 12.122 1.00 5.00 N ATOM 592 NH2 ARG A 36 -7.359 -18.608 10.167 1.00 6.06 N ATOM 0 H ARG A 36 -11.863 -15.321 7.613 1.00 3.12 H new ATOM 0 HA ARG A 36 -13.515 -14.821 9.056 1.00 2.95 H new ATOM 0 HB2 ARG A 36 -13.157 -16.328 11.088 1.00 3.13 H new ATOM 0 HB3 ARG A 36 -13.008 -17.077 9.511 1.00 3.13 H new ATOM 0 HG2 ARG A 36 -10.416 -16.450 9.869 1.00 3.40 H new ATOM 0 HG3 ARG A 36 -10.886 -16.501 11.556 1.00 3.40 H new ATOM 0 HD2 ARG A 36 -11.153 -18.798 11.560 1.00 4.17 H new ATOM 0 HD3 ARG A 36 -11.757 -18.848 9.916 1.00 4.17 H new ATOM 0 HE ARG A 36 -9.572 -19.001 9.093 1.00 4.80 H new ATOM 0 HH11 ARG A 36 -9.474 -18.890 12.596 1.00 5.00 H new ATOM 0 HH12 ARG A 36 -7.711 -18.811 12.665 1.00 5.00 H new ATOM 0 HH21 ARG A 36 -7.332 -18.522 9.151 1.00 6.06 H new ATOM 0 HH22 ARG A 36 -6.491 -18.601 10.702 1.00 6.06 H new ATOM 606 N ASN A 37 -12.314 -12.596 10.084 1.00 2.78 N ATOM 607 CA ASN A 37 -12.012 -11.427 10.902 1.00 2.66 C ATOM 608 C ASN A 37 -13.136 -10.407 10.725 1.00 2.99 C ATOM 609 O ASN A 37 -12.923 -9.190 10.701 1.00 3.19 O ATOM 610 CB ASN A 37 -10.627 -10.891 10.504 1.00 2.64 C ATOM 611 CG ASN A 37 -9.596 -11.082 11.607 1.00 3.48 C ATOM 612 OD1 ASN A 37 -9.588 -10.340 12.587 1.00 4.24 O ATOM 613 ND2 ASN A 37 -8.707 -12.053 11.463 1.00 4.55 N ATOM 0 H ASN A 37 -12.463 -12.370 9.101 1.00 2.78 H new ATOM 0 HA ASN A 37 -11.965 -11.670 11.963 1.00 2.66 H new ATOM 0 HB2 ASN A 37 -10.289 -11.399 9.601 1.00 2.64 H new ATOM 0 HB3 ASN A 37 -10.706 -9.831 10.262 1.00 2.64 H new ATOM 0 HD21 ASN A 37 -7.992 -12.200 12.176 1.00 4.55 H new ATOM 0 HD22 ASN A 37 -8.737 -12.654 10.639 1.00 4.55 H new ATOM 620 N GLN A 38 -14.364 -10.918 10.613 1.00 3.53 N ATOM 621 CA GLN A 38 -15.586 -10.157 10.412 1.00 4.18 C ATOM 622 C GLN A 38 -16.019 -9.559 11.751 1.00 3.89 C ATOM 623 O GLN A 38 -17.061 -9.906 12.312 1.00 4.81 O ATOM 624 CB GLN A 38 -16.658 -11.047 9.756 1.00 5.39 C ATOM 625 CG GLN A 38 -16.807 -12.439 10.396 1.00 5.30 C ATOM 626 CD GLN A 38 -18.042 -13.172 9.883 1.00 6.74 C ATOM 627 OE1 GLN A 38 -18.864 -13.644 10.658 1.00 7.37 O ATOM 628 NE2 GLN A 38 -18.188 -13.287 8.568 1.00 7.78 N ATOM 0 H GLN A 38 -14.535 -11.922 10.663 1.00 3.53 H new ATOM 0 HA GLN A 38 -15.424 -9.327 9.725 1.00 4.18 H new ATOM 0 HB2 GLN A 38 -17.618 -10.534 9.804 1.00 5.39 H new ATOM 0 HB3 GLN A 38 -16.415 -11.170 8.701 1.00 5.39 H new ATOM 0 HG2 GLN A 38 -15.918 -13.033 10.184 1.00 5.30 H new ATOM 0 HG3 GLN A 38 -16.870 -12.336 11.479 1.00 5.30 H new ATOM 0 HE21 GLN A 38 -17.491 -12.886 7.940 1.00 7.78 H new ATOM 0 HE22 GLN A 38 -18.997 -13.776 8.186 1.00 7.78 H new ATOM 637 N GLY A 39 -15.187 -8.683 12.300 1.00 3.34 N ATOM 638 CA GLY A 39 -15.399 -8.146 13.628 1.00 3.36 C ATOM 639 C GLY A 39 -14.265 -7.220 14.027 1.00 2.88 C ATOM 640 O GLY A 39 -14.504 -6.193 14.659 1.00 2.91 O ATOM 0 H GLY A 39 -14.351 -8.329 11.835 1.00 3.34 H new ATOM 0 HA2 GLY A 39 -16.344 -7.604 13.658 1.00 3.36 H new ATOM 0 HA3 GLY A 39 -15.477 -8.962 14.346 1.00 3.36 H new ATOM 644 N ASP A 40 -13.025 -7.567 13.681 1.00 2.62 N ATOM 645 CA ASP A 40 -11.916 -6.655 13.825 1.00 2.40 C ATOM 646 C ASP A 40 -12.147 -5.491 12.866 1.00 2.27 C ATOM 647 O ASP A 40 -12.050 -5.681 11.652 1.00 3.18 O ATOM 648 CB ASP A 40 -10.588 -7.365 13.556 1.00 2.40 C ATOM 649 CG ASP A 40 -9.405 -6.448 13.800 1.00 2.57 C ATOM 650 OD1 ASP A 40 -9.500 -5.231 13.551 1.00 3.03 O ATOM 651 OD2 ASP A 40 -8.354 -6.974 14.218 1.00 3.13 O ATOM 0 H ASP A 40 -12.774 -8.479 13.299 1.00 2.62 H new ATOM 0 HA ASP A 40 -11.858 -6.279 14.846 1.00 2.40 H new ATOM 0 HB2 ASP A 40 -10.507 -8.242 14.198 1.00 2.40 H new ATOM 0 HB3 ASP A 40 -10.567 -7.721 12.526 1.00 2.40 H new ATOM 656 N LYS A 41 -12.529 -4.319 13.362 1.00 1.94 N ATOM 657 CA LYS A 41 -12.729 -3.181 12.485 1.00 1.76 C ATOM 658 C LYS A 41 -11.379 -2.634 12.028 1.00 1.44 C ATOM 659 O LYS A 41 -11.095 -2.578 10.828 1.00 1.28 O ATOM 660 CB LYS A 41 -13.574 -2.100 13.159 1.00 2.00 C ATOM 661 CG LYS A 41 -15.075 -2.286 12.893 1.00 2.59 C ATOM 662 CD LYS A 41 -15.802 -3.131 13.939 1.00 3.33 C ATOM 663 CE LYS A 41 -17.326 -2.989 13.813 1.00 3.68 C ATOM 664 NZ LYS A 41 -17.781 -1.596 14.016 1.00 4.19 N ATOM 0 H LYS A 41 -12.703 -4.137 14.351 1.00 1.94 H new ATOM 0 HA LYS A 41 -13.282 -3.512 11.606 1.00 1.76 H new ATOM 0 HB2 LYS A 41 -13.393 -2.117 14.234 1.00 2.00 H new ATOM 0 HB3 LYS A 41 -13.262 -1.120 12.798 1.00 2.00 H new ATOM 0 HG2 LYS A 41 -15.547 -1.305 12.844 1.00 2.59 H new ATOM 0 HG3 LYS A 41 -15.203 -2.750 11.915 1.00 2.59 H new ATOM 0 HD2 LYS A 41 -15.522 -4.178 13.822 1.00 3.33 H new ATOM 0 HD3 LYS A 41 -15.488 -2.826 14.937 1.00 3.33 H new ATOM 0 HE2 LYS A 41 -17.640 -3.331 12.827 1.00 3.68 H new ATOM 0 HE3 LYS A 41 -17.810 -3.637 14.544 1.00 3.68 H new ATOM 0 HZ1 LYS A 41 -18.784 -1.595 14.292 1.00 4.19 H new ATOM 0 HZ2 LYS A 41 -17.215 -1.152 14.767 1.00 4.19 H new ATOM 0 HZ3 LYS A 41 -17.664 -1.060 13.132 1.00 4.19 H new ATOM 678 N GLU A 42 -10.571 -2.174 12.983 1.00 1.53 N ATOM 679 CA GLU A 42 -9.415 -1.362 12.663 1.00 1.48 C ATOM 680 C GLU A 42 -8.451 -2.097 11.740 1.00 1.34 C ATOM 681 O GLU A 42 -7.884 -1.450 10.870 1.00 1.25 O ATOM 682 CB GLU A 42 -8.714 -0.821 13.913 1.00 1.87 C ATOM 683 CG GLU A 42 -9.510 0.305 14.585 1.00 3.35 C ATOM 684 CD GLU A 42 -10.844 -0.154 15.123 1.00 4.66 C ATOM 685 OE1 GLU A 42 -10.847 -0.977 16.062 1.00 5.02 O ATOM 686 OE2 GLU A 42 -11.868 0.338 14.612 1.00 6.20 O ATOM 0 H GLU A 42 -10.701 -2.353 13.979 1.00 1.53 H new ATOM 0 HA GLU A 42 -9.784 -0.492 12.119 1.00 1.48 H new ATOM 0 HB2 GLU A 42 -8.567 -1.633 14.625 1.00 1.87 H new ATOM 0 HB3 GLU A 42 -7.725 -0.452 13.641 1.00 1.87 H new ATOM 0 HG2 GLU A 42 -8.920 0.722 15.401 1.00 3.35 H new ATOM 0 HG3 GLU A 42 -9.672 1.108 13.865 1.00 3.35 H new ATOM 693 N ALA A 43 -8.249 -3.406 11.876 1.00 1.40 N ATOM 694 CA ALA A 43 -7.397 -4.147 10.978 1.00 1.43 C ATOM 695 C ALA A 43 -7.838 -3.981 9.524 1.00 1.18 C ATOM 696 O ALA A 43 -7.018 -3.774 8.632 1.00 1.18 O ATOM 697 CB ALA A 43 -7.328 -5.620 11.362 1.00 1.65 C ATOM 0 H ALA A 43 -8.674 -3.971 12.611 1.00 1.40 H new ATOM 0 HA ALA A 43 -6.393 -3.732 11.071 1.00 1.43 H new ATOM 0 HB1 ALA A 43 -6.678 -6.148 10.664 1.00 1.65 H new ATOM 0 HB2 ALA A 43 -6.929 -5.714 12.372 1.00 1.65 H new ATOM 0 HB3 ALA A 43 -8.328 -6.053 11.325 1.00 1.65 H new ATOM 703 N GLU A 44 -9.146 -4.050 9.273 1.00 1.06 N ATOM 704 CA GLU A 44 -9.678 -3.894 7.930 1.00 0.92 C ATOM 705 C GLU A 44 -9.404 -2.464 7.458 1.00 0.75 C ATOM 706 O GLU A 44 -8.926 -2.241 6.347 1.00 0.70 O ATOM 707 CB GLU A 44 -11.167 -4.275 7.921 1.00 1.03 C ATOM 708 CG GLU A 44 -11.662 -4.717 6.537 1.00 1.30 C ATOM 709 CD GLU A 44 -13.036 -5.342 6.626 1.00 1.91 C ATOM 710 OE1 GLU A 44 -13.145 -6.417 7.257 1.00 3.33 O ATOM 711 OE2 GLU A 44 -14.002 -4.724 6.135 1.00 2.40 O ATOM 0 H GLU A 44 -9.854 -4.214 9.989 1.00 1.06 H new ATOM 0 HA GLU A 44 -9.188 -4.564 7.224 1.00 0.92 H new ATOM 0 HB2 GLU A 44 -11.335 -5.081 8.636 1.00 1.03 H new ATOM 0 HB3 GLU A 44 -11.757 -3.422 8.257 1.00 1.03 H new ATOM 0 HG2 GLU A 44 -11.692 -3.858 5.866 1.00 1.30 H new ATOM 0 HG3 GLU A 44 -10.961 -5.432 6.107 1.00 1.30 H new ATOM 718 N ALA A 45 -9.657 -1.476 8.315 1.00 0.81 N ATOM 719 CA ALA A 45 -9.306 -0.101 8.029 1.00 0.83 C ATOM 720 C ALA A 45 -7.807 0.048 7.766 1.00 0.80 C ATOM 721 O ALA A 45 -7.391 0.856 6.941 1.00 0.85 O ATOM 722 CB ALA A 45 -9.769 0.816 9.161 1.00 1.00 C ATOM 0 H ALA A 45 -10.108 -1.613 9.219 1.00 0.81 H new ATOM 0 HA ALA A 45 -9.823 0.199 7.118 1.00 0.83 H new ATOM 0 HB1 ALA A 45 -9.497 1.846 8.929 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -10.851 0.742 9.270 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -9.290 0.515 10.092 1.00 1.00 H new ATOM 728 N LYS A 46 -6.988 -0.728 8.463 1.00 0.81 N ATOM 729 CA LYS A 46 -5.545 -0.703 8.321 1.00 0.91 C ATOM 730 C LYS A 46 -5.181 -1.220 6.939 1.00 0.87 C ATOM 731 O LYS A 46 -4.355 -0.622 6.252 1.00 0.97 O ATOM 732 CB LYS A 46 -4.885 -1.522 9.445 1.00 1.04 C ATOM 733 CG LYS A 46 -3.424 -1.150 9.714 1.00 1.22 C ATOM 734 CD LYS A 46 -3.330 0.347 10.028 1.00 2.76 C ATOM 735 CE LYS A 46 -2.079 0.725 10.815 1.00 3.03 C ATOM 736 NZ LYS A 46 -1.952 2.191 10.905 1.00 4.14 N ATOM 0 H LYS A 46 -7.317 -1.403 9.154 1.00 0.81 H new ATOM 0 HA LYS A 46 -5.170 0.316 8.414 1.00 0.91 H new ATOM 0 HB2 LYS A 46 -5.458 -1.387 10.362 1.00 1.04 H new ATOM 0 HB3 LYS A 46 -4.938 -2.580 9.188 1.00 1.04 H new ATOM 0 HG2 LYS A 46 -3.037 -1.733 10.549 1.00 1.22 H new ATOM 0 HG3 LYS A 46 -2.810 -1.390 8.846 1.00 1.22 H new ATOM 0 HD2 LYS A 46 -3.345 0.908 9.094 1.00 2.76 H new ATOM 0 HD3 LYS A 46 -4.211 0.648 10.595 1.00 2.76 H new ATOM 0 HE2 LYS A 46 -2.128 0.296 11.816 1.00 3.03 H new ATOM 0 HE3 LYS A 46 -1.197 0.306 10.331 1.00 3.03 H new ATOM 0 HZ1 LYS A 46 -1.087 2.433 11.429 1.00 4.14 H new ATOM 0 HZ2 LYS A 46 -1.901 2.594 9.948 1.00 4.14 H new ATOM 0 HZ3 LYS A 46 -2.778 2.581 11.402 1.00 4.14 H new ATOM 750 N PHE A 47 -5.839 -2.294 6.502 1.00 0.83 N ATOM 751 CA PHE A 47 -5.723 -2.723 5.123 1.00 0.88 C ATOM 752 C PHE A 47 -6.061 -1.565 4.178 1.00 0.90 C ATOM 753 O PHE A 47 -5.383 -1.400 3.173 1.00 1.06 O ATOM 754 CB PHE A 47 -6.546 -3.985 4.821 1.00 0.90 C ATOM 755 CG PHE A 47 -6.533 -4.316 3.341 1.00 1.12 C ATOM 756 CD1 PHE A 47 -5.308 -4.640 2.732 1.00 2.27 C ATOM 757 CD2 PHE A 47 -7.615 -3.906 2.540 1.00 2.34 C ATOM 758 CE1 PHE A 47 -5.106 -4.375 1.368 1.00 2.85 C ATOM 759 CE2 PHE A 47 -7.438 -3.717 1.160 1.00 2.97 C ATOM 760 CZ PHE A 47 -6.167 -3.888 0.586 1.00 2.78 C ATOM 0 H PHE A 47 -6.449 -2.872 7.081 1.00 0.83 H new ATOM 0 HA PHE A 47 -4.685 -3.009 4.951 1.00 0.88 H new ATOM 0 HB2 PHE A 47 -6.145 -4.826 5.387 1.00 0.90 H new ATOM 0 HB3 PHE A 47 -7.574 -3.839 5.153 1.00 0.90 H new ATOM 0 HD1 PHE A 47 -4.520 -5.094 3.315 1.00 2.27 H new ATOM 0 HD2 PHE A 47 -8.583 -3.736 2.988 1.00 2.34 H new ATOM 0 HE1 PHE A 47 -4.138 -4.545 0.921 1.00 2.85 H new ATOM 0 HE2 PHE A 47 -8.278 -3.440 0.540 1.00 2.97 H new ATOM 0 HZ PHE A 47 -6.006 -3.646 -0.454 1.00 2.78 H new ATOM 770 N LYS A 48 -7.050 -0.719 4.488 1.00 0.84 N ATOM 771 CA LYS A 48 -7.388 0.380 3.586 1.00 0.89 C ATOM 772 C LYS A 48 -6.201 1.325 3.384 1.00 0.93 C ATOM 773 O LYS A 48 -6.041 1.865 2.291 1.00 1.13 O ATOM 774 CB LYS A 48 -8.651 1.144 3.996 1.00 0.90 C ATOM 775 CG LYS A 48 -9.842 0.187 3.973 1.00 0.91 C ATOM 776 CD LYS A 48 -11.102 0.834 4.558 1.00 1.00 C ATOM 777 CE LYS A 48 -12.048 -0.294 4.982 1.00 1.73 C ATOM 778 NZ LYS A 48 -13.399 0.177 5.327 1.00 2.36 N ATOM 0 H LYS A 48 -7.616 -0.773 5.335 1.00 0.84 H new ATOM 0 HA LYS A 48 -7.620 -0.084 2.627 1.00 0.89 H new ATOM 0 HB2 LYS A 48 -8.528 1.567 4.993 1.00 0.90 H new ATOM 0 HB3 LYS A 48 -8.825 1.977 3.315 1.00 0.90 H new ATOM 0 HG2 LYS A 48 -10.037 -0.126 2.947 1.00 0.91 H new ATOM 0 HG3 LYS A 48 -9.598 -0.711 4.540 1.00 0.91 H new ATOM 0 HD2 LYS A 48 -10.849 1.462 5.412 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -11.580 1.477 3.819 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -12.120 -1.021 4.173 1.00 1.73 H new ATOM 0 HE3 LYS A 48 -11.622 -0.813 5.841 1.00 1.73 H new ATOM 0 HZ1 LYS A 48 -13.989 -0.633 5.605 1.00 2.36 H new ATOM 0 HZ2 LYS A 48 -13.341 0.850 6.118 1.00 2.36 H new ATOM 0 HZ3 LYS A 48 -13.824 0.648 4.503 1.00 2.36 H new ATOM 792 N GLU A 49 -5.342 1.502 4.396 1.00 0.81 N ATOM 793 CA GLU A 49 -4.108 2.231 4.183 1.00 0.81 C ATOM 794 C GLU A 49 -3.305 1.562 3.060 1.00 0.59 C ATOM 795 O GLU A 49 -2.860 2.221 2.121 1.00 0.66 O ATOM 796 CB GLU A 49 -3.280 2.318 5.477 1.00 0.95 C ATOM 797 CG GLU A 49 -3.927 3.019 6.675 1.00 1.46 C ATOM 798 CD GLU A 49 -2.856 3.617 7.583 1.00 1.65 C ATOM 799 OE1 GLU A 49 -2.178 2.855 8.301 1.00 2.05 O ATOM 800 OE2 GLU A 49 -2.667 4.850 7.570 1.00 2.58 O ATOM 0 H GLU A 49 -5.482 1.156 5.345 1.00 0.81 H new ATOM 0 HA GLU A 49 -4.351 3.252 3.887 1.00 0.81 H new ATOM 0 HB2 GLU A 49 -3.018 1.304 5.780 1.00 0.95 H new ATOM 0 HB3 GLU A 49 -2.347 2.833 5.247 1.00 0.95 H new ATOM 0 HG2 GLU A 49 -4.597 3.805 6.326 1.00 1.46 H new ATOM 0 HG3 GLU A 49 -4.534 2.308 7.236 1.00 1.46 H new ATOM 807 N ILE A 50 -3.130 0.244 3.158 1.00 0.43 N ATOM 808 CA ILE A 50 -2.386 -0.530 2.179 1.00 0.48 C ATOM 809 C ILE A 50 -3.061 -0.397 0.810 1.00 0.70 C ATOM 810 O ILE A 50 -2.370 -0.206 -0.187 1.00 0.81 O ATOM 811 CB ILE A 50 -2.231 -2.003 2.618 1.00 0.63 C ATOM 812 CG1 ILE A 50 -1.799 -2.136 4.093 1.00 0.71 C ATOM 813 CG2 ILE A 50 -1.195 -2.688 1.708 1.00 0.83 C ATOM 814 CD1 ILE A 50 -1.794 -3.592 4.568 1.00 1.01 C ATOM 0 H ILE A 50 -3.505 -0.314 3.925 1.00 0.43 H new ATOM 0 HA ILE A 50 -1.374 -0.133 2.102 1.00 0.48 H new ATOM 0 HB ILE A 50 -3.204 -2.485 2.526 1.00 0.63 H new ATOM 0 HG12 ILE A 50 -0.802 -1.712 4.217 1.00 0.71 H new ATOM 0 HG13 ILE A 50 -2.473 -1.554 4.721 1.00 0.71 H new ATOM 0 HG21 ILE A 50 -1.078 -3.729 2.009 1.00 0.83 H new ATOM 0 HG22 ILE A 50 -1.535 -2.646 0.673 1.00 0.83 H new ATOM 0 HG23 ILE A 50 -0.237 -2.175 1.796 1.00 0.83 H new ATOM 0 HD11 ILE A 50 -1.483 -3.633 5.612 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -2.796 -4.010 4.471 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -1.099 -4.171 3.960 1.00 1.01 H new ATOM 826 N LYS A 51 -4.395 -0.478 0.743 1.00 0.86 N ATOM 827 CA LYS A 51 -5.131 -0.272 -0.494 1.00 1.22 C ATOM 828 C LYS A 51 -4.738 1.066 -1.099 1.00 1.15 C ATOM 829 O LYS A 51 -4.314 1.088 -2.251 1.00 1.18 O ATOM 830 CB LYS A 51 -6.655 -0.310 -0.284 1.00 1.73 C ATOM 831 CG LYS A 51 -7.402 -0.117 -1.619 1.00 2.21 C ATOM 832 CD LYS A 51 -8.903 0.094 -1.394 1.00 3.12 C ATOM 833 CE LYS A 51 -9.609 0.636 -2.650 1.00 3.79 C ATOM 834 NZ LYS A 51 -9.185 2.001 -3.049 1.00 4.51 N ATOM 0 H LYS A 51 -4.987 -0.688 1.547 1.00 0.86 H new ATOM 0 HA LYS A 51 -4.873 -1.089 -1.168 1.00 1.22 H new ATOM 0 HB2 LYS A 51 -6.941 -1.263 0.162 1.00 1.73 H new ATOM 0 HB3 LYS A 51 -6.949 0.471 0.417 1.00 1.73 H new ATOM 0 HG2 LYS A 51 -6.988 0.741 -2.149 1.00 2.21 H new ATOM 0 HG3 LYS A 51 -7.247 -0.989 -2.254 1.00 2.21 H new ATOM 0 HD2 LYS A 51 -9.361 -0.851 -1.101 1.00 3.12 H new ATOM 0 HD3 LYS A 51 -9.051 0.789 -0.568 1.00 3.12 H new ATOM 0 HE2 LYS A 51 -9.423 -0.046 -3.480 1.00 3.79 H new ATOM 0 HE3 LYS A 51 -10.685 0.639 -2.475 1.00 3.79 H new ATOM 0 HZ1 LYS A 51 -10.024 2.576 -3.265 1.00 4.51 H new ATOM 0 HZ2 LYS A 51 -8.655 2.441 -2.270 1.00 4.51 H new ATOM 0 HZ3 LYS A 51 -8.579 1.944 -3.892 1.00 4.51 H new ATOM 848 N GLU A 52 -4.961 2.160 -0.366 1.00 1.16 N ATOM 849 CA GLU A 52 -4.822 3.504 -0.901 1.00 1.24 C ATOM 850 C GLU A 52 -3.393 3.679 -1.398 1.00 1.07 C ATOM 851 O GLU A 52 -3.156 4.066 -2.542 1.00 1.10 O ATOM 852 CB GLU A 52 -5.199 4.530 0.180 1.00 1.39 C ATOM 853 CG GLU A 52 -5.371 5.952 -0.376 1.00 1.66 C ATOM 854 CD GLU A 52 -6.703 6.185 -1.064 1.00 1.57 C ATOM 855 OE1 GLU A 52 -7.155 5.296 -1.809 1.00 2.43 O ATOM 856 OE2 GLU A 52 -7.315 7.245 -0.816 1.00 2.71 O ATOM 0 H GLU A 52 -5.243 2.132 0.614 1.00 1.16 H new ATOM 0 HA GLU A 52 -5.496 3.665 -1.742 1.00 1.24 H new ATOM 0 HB2 GLU A 52 -6.127 4.219 0.661 1.00 1.39 H new ATOM 0 HB3 GLU A 52 -4.428 4.538 0.950 1.00 1.39 H new ATOM 0 HG2 GLU A 52 -5.265 6.666 0.440 1.00 1.66 H new ATOM 0 HG3 GLU A 52 -4.567 6.155 -1.084 1.00 1.66 H new ATOM 863 N ALA A 53 -2.440 3.331 -0.537 1.00 0.93 N ATOM 864 CA ALA A 53 -1.040 3.355 -0.887 1.00 0.85 C ATOM 865 C ALA A 53 -0.810 2.612 -2.192 1.00 0.84 C ATOM 866 O ALA A 53 -0.313 3.179 -3.157 1.00 0.92 O ATOM 867 CB ALA A 53 -0.212 2.746 0.244 1.00 0.81 C ATOM 0 H ALA A 53 -2.626 3.026 0.419 1.00 0.93 H new ATOM 0 HA ALA A 53 -0.724 4.388 -1.028 1.00 0.85 H new ATOM 0 HB1 ALA A 53 0.844 2.767 -0.026 1.00 0.81 H new ATOM 0 HB2 ALA A 53 -0.364 3.321 1.157 1.00 0.81 H new ATOM 0 HB3 ALA A 53 -0.524 1.715 0.409 1.00 0.81 H new ATOM 873 N TYR A 54 -1.179 1.338 -2.238 1.00 0.82 N ATOM 874 CA TYR A 54 -0.922 0.511 -3.398 1.00 0.90 C ATOM 875 C TYR A 54 -1.588 1.086 -4.644 1.00 0.95 C ATOM 876 O TYR A 54 -0.981 1.076 -5.714 1.00 1.12 O ATOM 877 CB TYR A 54 -1.384 -0.918 -3.122 1.00 0.95 C ATOM 878 CG TYR A 54 -0.866 -1.925 -4.122 1.00 0.96 C ATOM 879 CD1 TYR A 54 0.468 -2.353 -4.030 1.00 2.46 C ATOM 880 CD2 TYR A 54 -1.718 -2.498 -5.082 1.00 1.77 C ATOM 881 CE1 TYR A 54 0.928 -3.411 -4.829 1.00 2.88 C ATOM 882 CE2 TYR A 54 -1.255 -3.557 -5.882 1.00 1.76 C ATOM 883 CZ TYR A 54 0.056 -4.029 -5.734 1.00 1.80 C ATOM 884 OH TYR A 54 0.433 -5.185 -6.350 1.00 2.45 O ATOM 0 H TYR A 54 -1.660 0.858 -1.477 1.00 0.82 H new ATOM 0 HA TYR A 54 0.151 0.496 -3.591 1.00 0.90 H new ATOM 0 HB2 TYR A 54 -1.059 -1.210 -2.123 1.00 0.95 H new ATOM 0 HB3 TYR A 54 -2.474 -0.945 -3.123 1.00 0.95 H new ATOM 0 HD1 TYR A 54 1.143 -1.866 -3.342 1.00 2.46 H new ATOM 0 HD2 TYR A 54 -2.724 -2.126 -5.204 1.00 1.77 H new ATOM 0 HE1 TYR A 54 1.951 -3.747 -4.746 1.00 2.88 H new ATOM 0 HE2 TYR A 54 -1.911 -4.008 -6.612 1.00 1.76 H new ATOM 0 HH TYR A 54 -0.284 -5.487 -6.946 1.00 2.45 H new ATOM 894 N GLU A 55 -2.821 1.576 -4.523 1.00 0.93 N ATOM 895 CA GLU A 55 -3.582 2.135 -5.593 1.00 1.04 C ATOM 896 C GLU A 55 -2.774 3.280 -6.201 1.00 0.98 C ATOM 897 O GLU A 55 -2.599 3.338 -7.415 1.00 1.13 O ATOM 898 CB GLU A 55 -4.944 2.528 -5.012 1.00 1.26 C ATOM 899 CG GLU A 55 -5.557 3.657 -5.813 1.00 1.36 C ATOM 900 CD GLU A 55 -7.028 3.849 -5.556 1.00 1.82 C ATOM 901 OE1 GLU A 55 -7.661 2.939 -4.984 1.00 1.68 O ATOM 902 OE2 GLU A 55 -7.561 4.886 -6.001 1.00 3.13 O ATOM 0 H GLU A 55 -3.320 1.586 -3.633 1.00 0.93 H new ATOM 0 HA GLU A 55 -3.776 1.445 -6.414 1.00 1.04 H new ATOM 0 HB2 GLU A 55 -5.611 1.666 -5.018 1.00 1.26 H new ATOM 0 HB3 GLU A 55 -4.828 2.833 -3.972 1.00 1.26 H new ATOM 0 HG2 GLU A 55 -5.032 4.583 -5.580 1.00 1.36 H new ATOM 0 HG3 GLU A 55 -5.405 3.463 -6.875 1.00 1.36 H new ATOM 909 N VAL A 56 -2.271 4.177 -5.361 1.00 0.90 N ATOM 910 CA VAL A 56 -1.461 5.280 -5.834 1.00 0.92 C ATOM 911 C VAL A 56 -0.174 4.735 -6.457 1.00 0.87 C ATOM 912 O VAL A 56 0.108 5.008 -7.620 1.00 1.09 O ATOM 913 CB VAL A 56 -1.249 6.286 -4.694 1.00 1.04 C ATOM 914 CG1 VAL A 56 -0.267 7.396 -5.082 1.00 1.20 C ATOM 915 CG2 VAL A 56 -2.605 6.921 -4.355 1.00 1.12 C ATOM 0 H VAL A 56 -2.413 4.158 -4.351 1.00 0.90 H new ATOM 0 HA VAL A 56 -1.964 5.834 -6.627 1.00 0.92 H new ATOM 0 HB VAL A 56 -0.830 5.754 -3.840 1.00 1.04 H new ATOM 0 HG11 VAL A 56 -0.147 8.085 -4.246 1.00 1.20 H new ATOM 0 HG12 VAL A 56 0.699 6.957 -5.331 1.00 1.20 H new ATOM 0 HG13 VAL A 56 -0.653 7.938 -5.946 1.00 1.20 H new ATOM 0 HG21 VAL A 56 -2.478 7.640 -3.546 1.00 1.12 H new ATOM 0 HG22 VAL A 56 -2.998 7.430 -5.235 1.00 1.12 H new ATOM 0 HG23 VAL A 56 -3.303 6.144 -4.043 1.00 1.12 H new ATOM 925 N LEU A 57 0.601 3.953 -5.710 1.00 0.84 N ATOM 926 CA LEU A 57 1.938 3.551 -6.116 1.00 0.96 C ATOM 927 C LEU A 57 1.957 2.756 -7.419 1.00 1.15 C ATOM 928 O LEU A 57 2.824 2.995 -8.253 1.00 1.95 O ATOM 929 CB LEU A 57 2.647 2.807 -4.974 1.00 0.96 C ATOM 930 CG LEU A 57 2.877 3.691 -3.736 1.00 0.95 C ATOM 931 CD1 LEU A 57 3.789 2.979 -2.737 1.00 1.07 C ATOM 932 CD2 LEU A 57 3.473 5.041 -4.127 1.00 1.01 C ATOM 0 H LEU A 57 0.315 3.581 -4.804 1.00 0.84 H new ATOM 0 HA LEU A 57 2.496 4.463 -6.328 1.00 0.96 H new ATOM 0 HB2 LEU A 57 2.053 1.939 -4.689 1.00 0.96 H new ATOM 0 HB3 LEU A 57 3.607 2.434 -5.331 1.00 0.96 H new ATOM 0 HG LEU A 57 1.910 3.871 -3.266 1.00 0.95 H new ATOM 0 HD11 LEU A 57 3.943 3.616 -1.866 1.00 1.07 H new ATOM 0 HD12 LEU A 57 3.326 2.043 -2.424 1.00 1.07 H new ATOM 0 HD13 LEU A 57 4.750 2.769 -3.207 1.00 1.07 H new ATOM 0 HD21 LEU A 57 3.625 5.645 -3.232 1.00 1.01 H new ATOM 0 HD22 LEU A 57 4.429 4.886 -4.626 1.00 1.01 H new ATOM 0 HD23 LEU A 57 2.791 5.558 -4.802 1.00 1.01 H new ATOM 944 N THR A 58 1.019 1.829 -7.618 1.00 1.25 N ATOM 945 CA THR A 58 0.952 1.087 -8.873 1.00 1.37 C ATOM 946 C THR A 58 0.082 1.806 -9.914 1.00 1.74 C ATOM 947 O THR A 58 -0.334 1.196 -10.902 1.00 1.98 O ATOM 948 CB THR A 58 0.545 -0.372 -8.618 1.00 1.71 C ATOM 949 OG1 THR A 58 -0.664 -0.476 -7.889 1.00 2.32 O ATOM 950 CG2 THR A 58 1.636 -1.106 -7.830 1.00 1.80 C ATOM 0 H THR A 58 0.305 1.578 -6.935 1.00 1.25 H new ATOM 0 HA THR A 58 1.948 1.053 -9.314 1.00 1.37 H new ATOM 0 HB THR A 58 0.406 -0.824 -9.600 1.00 1.71 H new ATOM 0 HG1 THR A 58 -0.536 -0.109 -6.989 1.00 2.32 H new ATOM 0 HG21 THR A 58 1.330 -2.138 -7.659 1.00 1.80 H new ATOM 0 HG22 THR A 58 2.566 -1.093 -8.398 1.00 1.80 H new ATOM 0 HG23 THR A 58 1.789 -0.610 -6.872 1.00 1.80 H new ATOM 958 N ASP A 59 -0.213 3.092 -9.724 1.00 2.09 N ATOM 959 CA ASP A 59 -0.700 3.949 -10.802 1.00 2.54 C ATOM 960 C ASP A 59 0.517 4.553 -11.505 1.00 2.15 C ATOM 961 O ASP A 59 1.641 4.108 -11.293 1.00 2.73 O ATOM 962 CB ASP A 59 -1.700 4.991 -10.299 1.00 3.64 C ATOM 963 CG ASP A 59 -2.426 5.624 -11.463 1.00 4.15 C ATOM 964 OD1 ASP A 59 -3.258 4.935 -12.083 1.00 4.78 O ATOM 965 OD2 ASP A 59 -2.051 6.763 -11.802 1.00 4.52 O ATOM 0 H ASP A 59 -0.122 3.565 -8.825 1.00 2.09 H new ATOM 0 HA ASP A 59 -1.267 3.365 -11.527 1.00 2.54 H new ATOM 0 HB2 ASP A 59 -2.417 4.522 -9.626 1.00 3.64 H new ATOM 0 HB3 ASP A 59 -1.179 5.758 -9.726 1.00 3.64 H new ATOM 970 N SER A 60 0.329 5.480 -12.436 1.00 2.53 N ATOM 971 CA SER A 60 1.413 6.242 -13.034 1.00 3.25 C ATOM 972 C SER A 60 1.082 7.740 -13.111 1.00 3.07 C ATOM 973 O SER A 60 1.996 8.561 -13.116 1.00 3.41 O ATOM 974 CB SER A 60 1.781 5.593 -14.368 1.00 4.60 C ATOM 975 OG SER A 60 2.389 4.332 -14.105 1.00 5.54 O ATOM 0 H SER A 60 -0.592 5.725 -12.800 1.00 2.53 H new ATOM 0 HA SER A 60 2.301 6.209 -12.403 1.00 3.25 H new ATOM 0 HB2 SER A 60 0.891 5.463 -14.984 1.00 4.60 H new ATOM 0 HB3 SER A 60 2.464 6.234 -14.925 1.00 4.60 H new ATOM 0 HG SER A 60 2.292 4.114 -13.154 1.00 5.54 H new ATOM 981 N GLN A 61 -0.194 8.123 -13.111 1.00 3.00 N ATOM 982 CA GLN A 61 -0.637 9.494 -12.991 1.00 3.20 C ATOM 983 C GLN A 61 -0.590 9.893 -11.519 1.00 2.69 C ATOM 984 O GLN A 61 0.231 10.722 -11.122 1.00 2.79 O ATOM 985 CB GLN A 61 -2.056 9.578 -13.563 1.00 3.87 C ATOM 986 CG GLN A 61 -2.760 10.890 -13.228 1.00 4.31 C ATOM 987 CD GLN A 61 -4.164 10.927 -13.821 1.00 5.50 C ATOM 988 OE1 GLN A 61 -5.110 10.425 -13.218 1.00 5.98 O ATOM 989 NE2 GLN A 61 -4.340 11.499 -15.006 1.00 6.57 N ATOM 0 H GLN A 61 -0.965 7.460 -13.198 1.00 3.00 H new ATOM 0 HA GLN A 61 0.003 10.181 -13.544 1.00 3.20 H new ATOM 0 HB2 GLN A 61 -2.012 9.462 -14.646 1.00 3.87 H new ATOM 0 HB3 GLN A 61 -2.647 8.747 -13.177 1.00 3.87 H new ATOM 0 HG2 GLN A 61 -2.816 11.010 -12.146 1.00 4.31 H new ATOM 0 HG3 GLN A 61 -2.177 11.727 -13.612 1.00 4.31 H new ATOM 0 HE21 GLN A 61 -3.546 11.912 -15.496 1.00 6.57 H new ATOM 0 HE22 GLN A 61 -5.269 11.526 -15.427 1.00 6.57 H new ATOM 998 N LYS A 62 -1.486 9.322 -10.705 1.00 2.51 N ATOM 999 CA LYS A 62 -1.626 9.769 -9.321 1.00 2.28 C ATOM 1000 C LYS A 62 -0.313 9.480 -8.587 1.00 1.82 C ATOM 1001 O LYS A 62 0.092 10.236 -7.710 1.00 2.08 O ATOM 1002 CB LYS A 62 -2.866 9.185 -8.605 1.00 2.60 C ATOM 1003 CG LYS A 62 -3.074 7.677 -8.789 1.00 3.22 C ATOM 1004 CD LYS A 62 -4.226 7.085 -7.959 1.00 3.10 C ATOM 1005 CE LYS A 62 -5.570 7.151 -8.698 1.00 4.02 C ATOM 1006 NZ LYS A 62 -6.685 6.630 -7.880 1.00 4.42 N ATOM 0 H LYS A 62 -2.112 8.564 -10.977 1.00 2.51 H new ATOM 0 HA LYS A 62 -1.812 10.843 -9.315 1.00 2.28 H new ATOM 0 HB2 LYS A 62 -2.784 9.397 -7.539 1.00 2.60 H new ATOM 0 HB3 LYS A 62 -3.753 9.705 -8.966 1.00 2.60 H new ATOM 0 HG2 LYS A 62 -3.262 7.475 -9.844 1.00 3.22 H new ATOM 0 HG3 LYS A 62 -2.151 7.161 -8.525 1.00 3.22 H new ATOM 0 HD2 LYS A 62 -3.999 6.047 -7.714 1.00 3.10 H new ATOM 0 HD3 LYS A 62 -4.306 7.625 -7.015 1.00 3.10 H new ATOM 0 HE2 LYS A 62 -5.779 8.184 -8.977 1.00 4.02 H new ATOM 0 HE3 LYS A 62 -5.502 6.578 -9.623 1.00 4.02 H new ATOM 0 HZ1 LYS A 62 -7.468 6.345 -8.502 1.00 4.42 H new ATOM 0 HZ2 LYS A 62 -6.360 5.807 -7.333 1.00 4.42 H new ATOM 0 HZ3 LYS A 62 -7.013 7.371 -7.228 1.00 4.42 H new ATOM 1020 N ARG A 63 0.377 8.414 -8.999 1.00 1.78 N ATOM 1021 CA ARG A 63 1.680 8.051 -8.453 1.00 1.69 C ATOM 1022 C ARG A 63 2.678 9.189 -8.657 1.00 1.50 C ATOM 1023 O ARG A 63 3.413 9.529 -7.741 1.00 1.88 O ATOM 1024 CB ARG A 63 2.136 6.680 -8.990 1.00 2.09 C ATOM 1025 CG ARG A 63 3.393 6.596 -9.865 1.00 3.26 C ATOM 1026 CD ARG A 63 4.686 6.593 -9.043 1.00 2.94 C ATOM 1027 NE ARG A 63 5.819 6.127 -9.862 1.00 3.95 N ATOM 1028 CZ ARG A 63 6.558 6.858 -10.707 1.00 4.94 C ATOM 1029 NH1 ARG A 63 6.471 8.184 -10.730 1.00 5.34 N ATOM 1030 NH2 ARG A 63 7.404 6.256 -11.539 1.00 6.09 N ATOM 0 H ARG A 63 0.044 7.778 -9.723 1.00 1.78 H new ATOM 0 HA ARG A 63 1.609 7.919 -7.373 1.00 1.69 H new ATOM 0 HB2 ARG A 63 2.291 6.027 -8.131 1.00 2.09 H new ATOM 0 HB3 ARG A 63 1.309 6.262 -9.564 1.00 2.09 H new ATOM 0 HG2 ARG A 63 3.350 5.690 -10.470 1.00 3.26 H new ATOM 0 HG3 ARG A 63 3.408 7.440 -10.555 1.00 3.26 H new ATOM 0 HD2 ARG A 63 4.889 7.597 -8.670 1.00 2.94 H new ATOM 0 HD3 ARG A 63 4.569 5.947 -8.173 1.00 2.94 H new ATOM 0 HE ARG A 63 6.067 5.141 -9.776 1.00 3.95 H new ATOM 0 HH11 ARG A 63 5.832 8.664 -10.096 1.00 5.34 H new ATOM 0 HH12 ARG A 63 7.043 8.721 -11.382 1.00 5.34 H new ATOM 0 HH21 ARG A 63 7.489 5.240 -11.533 1.00 6.09 H new ATOM 0 HH22 ARG A 63 7.968 6.811 -12.183 1.00 6.09 H new ATOM 1044 N ALA A 64 2.720 9.797 -9.844 1.00 1.79 N ATOM 1045 CA ALA A 64 3.680 10.851 -10.123 1.00 1.76 C ATOM 1046 C ALA A 64 3.338 12.117 -9.343 1.00 1.34 C ATOM 1047 O ALA A 64 4.222 12.762 -8.779 1.00 1.42 O ATOM 1048 CB ALA A 64 3.760 11.113 -11.629 1.00 2.34 C ATOM 0 H ALA A 64 2.099 9.574 -10.622 1.00 1.79 H new ATOM 0 HA ALA A 64 4.666 10.525 -9.791 1.00 1.76 H new ATOM 0 HB1 ALA A 64 4.483 11.905 -11.823 1.00 2.34 H new ATOM 0 HB2 ALA A 64 4.073 10.203 -12.141 1.00 2.34 H new ATOM 0 HB3 ALA A 64 2.781 11.418 -11.998 1.00 2.34 H new ATOM 1054 N ALA A 65 2.057 12.483 -9.301 1.00 1.30 N ATOM 1055 CA ALA A 65 1.608 13.601 -8.495 1.00 1.33 C ATOM 1056 C ALA A 65 2.038 13.402 -7.039 1.00 1.55 C ATOM 1057 O ALA A 65 2.631 14.288 -6.421 1.00 1.86 O ATOM 1058 CB ALA A 65 0.088 13.761 -8.615 1.00 1.76 C ATOM 0 H ALA A 65 1.315 12.015 -9.821 1.00 1.30 H new ATOM 0 HA ALA A 65 2.070 14.519 -8.860 1.00 1.33 H new ATOM 0 HB1 ALA A 65 -0.238 14.604 -8.006 1.00 1.76 H new ATOM 0 HB2 ALA A 65 -0.178 13.942 -9.657 1.00 1.76 H new ATOM 0 HB3 ALA A 65 -0.402 12.851 -8.268 1.00 1.76 H new ATOM 1064 N TYR A 66 1.735 12.223 -6.498 1.00 1.79 N ATOM 1065 CA TYR A 66 2.026 11.894 -5.118 1.00 2.44 C ATOM 1066 C TYR A 66 3.530 11.879 -4.864 1.00 2.76 C ATOM 1067 O TYR A 66 3.987 12.426 -3.859 1.00 3.34 O ATOM 1068 CB TYR A 66 1.384 10.557 -4.747 1.00 2.80 C ATOM 1069 CG TYR A 66 1.497 10.243 -3.271 1.00 3.57 C ATOM 1070 CD1 TYR A 66 2.635 9.583 -2.774 1.00 4.15 C ATOM 1071 CD2 TYR A 66 0.499 10.678 -2.384 1.00 4.27 C ATOM 1072 CE1 TYR A 66 2.741 9.294 -1.406 1.00 5.08 C ATOM 1073 CE2 TYR A 66 0.621 10.416 -1.010 1.00 5.18 C ATOM 1074 CZ TYR A 66 1.716 9.677 -0.531 1.00 5.49 C ATOM 1075 OH TYR A 66 1.705 9.168 0.729 1.00 6.69 O ATOM 0 H TYR A 66 1.279 11.471 -7.014 1.00 1.79 H new ATOM 0 HA TYR A 66 1.597 12.666 -4.479 1.00 2.44 H new ATOM 0 HB2 TYR A 66 0.332 10.573 -5.031 1.00 2.80 H new ATOM 0 HB3 TYR A 66 1.857 9.760 -5.321 1.00 2.80 H new ATOM 0 HD1 TYR A 66 3.429 9.298 -3.448 1.00 4.15 H new ATOM 0 HD2 TYR A 66 -0.361 11.213 -2.758 1.00 4.27 H new ATOM 0 HE1 TYR A 66 3.611 8.777 -1.028 1.00 5.08 H new ATOM 0 HE2 TYR A 66 -0.126 10.782 -0.322 1.00 5.18 H new ATOM 0 HH TYR A 66 0.839 9.353 1.149 1.00 6.69 H new ATOM 1085 N ASP A 67 4.305 11.269 -5.766 1.00 2.59 N ATOM 1086 CA ASP A 67 5.750 11.205 -5.685 1.00 3.10 C ATOM 1087 C ASP A 67 6.278 12.593 -5.398 1.00 3.34 C ATOM 1088 O ASP A 67 7.094 12.789 -4.496 1.00 4.19 O ATOM 1089 CB ASP A 67 6.308 10.743 -7.040 1.00 2.82 C ATOM 1090 CG ASP A 67 6.690 9.290 -7.107 1.00 4.10 C ATOM 1091 OD1 ASP A 67 6.788 8.630 -6.055 1.00 5.00 O ATOM 1092 OD2 ASP A 67 6.955 8.814 -8.231 1.00 4.87 O ATOM 0 H ASP A 67 3.927 10.798 -6.588 1.00 2.59 H new ATOM 0 HA ASP A 67 6.049 10.511 -4.900 1.00 3.10 H new ATOM 0 HB2 ASP A 67 5.563 10.943 -7.810 1.00 2.82 H new ATOM 0 HB3 ASP A 67 7.184 11.345 -7.280 1.00 2.82 H new ATOM 1097 N GLN A 68 5.801 13.548 -6.189 1.00 2.79 N ATOM 1098 CA GLN A 68 6.258 14.906 -6.167 1.00 3.18 C ATOM 1099 C GLN A 68 5.823 15.512 -4.833 1.00 3.85 C ATOM 1100 O GLN A 68 6.674 15.885 -4.026 1.00 4.74 O ATOM 1101 CB GLN A 68 5.667 15.600 -7.404 1.00 2.68 C ATOM 1102 CG GLN A 68 6.788 15.974 -8.382 1.00 3.05 C ATOM 1103 CD GLN A 68 7.577 14.746 -8.849 1.00 4.53 C ATOM 1104 OE1 GLN A 68 8.808 14.744 -8.832 1.00 5.59 O ATOM 1105 NE2 GLN A 68 6.907 13.680 -9.263 1.00 5.49 N ATOM 0 H GLN A 68 5.067 13.380 -6.877 1.00 2.79 H new ATOM 0 HA GLN A 68 7.341 15.015 -6.224 1.00 3.18 H new ATOM 0 HB2 GLN A 68 4.951 14.940 -7.894 1.00 2.68 H new ATOM 0 HB3 GLN A 68 5.122 16.495 -7.103 1.00 2.68 H new ATOM 0 HG2 GLN A 68 6.360 16.480 -9.247 1.00 3.05 H new ATOM 0 HG3 GLN A 68 7.466 16.680 -7.903 1.00 3.05 H new ATOM 0 HE21 GLN A 68 5.887 13.691 -9.274 1.00 5.49 H new ATOM 0 HE22 GLN A 68 7.411 12.849 -9.571 1.00 5.49 H new ATOM 1114 N TYR A 69 4.516 15.581 -4.580 1.00 3.68 N ATOM 1115 CA TYR A 69 3.974 16.233 -3.405 1.00 4.51 C ATOM 1116 C TYR A 69 2.606 15.650 -3.048 1.00 4.57 C ATOM 1117 O TYR A 69 1.561 16.253 -3.304 1.00 4.86 O ATOM 1118 CB TYR A 69 3.925 17.746 -3.634 1.00 4.79 C ATOM 1119 CG TYR A 69 5.208 18.461 -3.265 1.00 5.57 C ATOM 1120 CD1 TYR A 69 5.556 18.595 -1.908 1.00 6.98 C ATOM 1121 CD2 TYR A 69 6.112 18.878 -4.260 1.00 5.54 C ATOM 1122 CE1 TYR A 69 6.794 19.149 -1.549 1.00 8.08 C ATOM 1123 CE2 TYR A 69 7.360 19.413 -3.896 1.00 6.65 C ATOM 1124 CZ TYR A 69 7.692 19.568 -2.541 1.00 7.83 C ATOM 1125 OH TYR A 69 8.875 20.125 -2.166 1.00 9.09 O ATOM 0 H TYR A 69 3.806 15.181 -5.193 1.00 3.68 H new ATOM 0 HA TYR A 69 4.624 16.048 -2.550 1.00 4.51 H new ATOM 0 HB2 TYR A 69 3.702 17.938 -4.683 1.00 4.79 H new ATOM 0 HB3 TYR A 69 3.105 18.166 -3.051 1.00 4.79 H new ATOM 0 HD1 TYR A 69 4.868 18.271 -1.141 1.00 6.98 H new ATOM 0 HD2 TYR A 69 5.847 18.787 -5.303 1.00 5.54 H new ATOM 0 HE1 TYR A 69 7.056 19.253 -0.506 1.00 8.08 H new ATOM 0 HE2 TYR A 69 8.065 19.705 -4.660 1.00 6.65 H new ATOM 0 HH TYR A 69 9.391 20.364 -2.964 1.00 9.09 H new ATOM 1135 N GLY A 70 2.641 14.486 -2.405 1.00 4.62 N ATOM 1136 CA GLY A 70 1.500 13.825 -1.804 1.00 5.04 C ATOM 1137 C GLY A 70 0.687 14.802 -0.967 1.00 5.48 C ATOM 1138 O GLY A 70 1.160 15.263 0.074 1.00 6.26 O ATOM 0 H GLY A 70 3.507 13.959 -2.287 1.00 4.62 H new ATOM 0 HA2 GLY A 70 0.871 13.396 -2.584 1.00 5.04 H new ATOM 0 HA3 GLY A 70 1.840 12.999 -1.179 1.00 5.04 H new ATOM 1142 N HIS A 71 -0.518 15.123 -1.432 1.00 5.52 N ATOM 1143 CA HIS A 71 -1.449 16.034 -0.790 1.00 6.18 C ATOM 1144 C HIS A 71 -0.734 17.316 -0.365 1.00 6.38 C ATOM 1145 O HIS A 71 -0.781 17.716 0.799 1.00 7.34 O ATOM 1146 CB HIS A 71 -2.134 15.313 0.375 1.00 7.42 C ATOM 1147 CG HIS A 71 -3.291 16.070 0.973 1.00 8.18 C ATOM 1148 ND1 HIS A 71 -4.418 16.513 0.311 1.00 8.71 N ATOM 1149 CD2 HIS A 71 -3.458 16.340 2.304 1.00 9.06 C ATOM 1150 CE1 HIS A 71 -5.245 17.034 1.231 1.00 9.76 C ATOM 1151 NE2 HIS A 71 -4.727 16.906 2.465 1.00 10.03 N ATOM 0 H HIS A 71 -0.883 14.737 -2.303 1.00 5.52 H new ATOM 0 HA HIS A 71 -2.226 16.338 -1.491 1.00 6.18 H new ATOM 0 HB2 HIS A 71 -2.489 14.342 0.029 1.00 7.42 H new ATOM 0 HB3 HIS A 71 -1.396 15.123 1.155 1.00 7.42 H new ATOM 0 HD2 HIS A 71 -2.740 16.150 3.088 1.00 9.06 H new ATOM 0 HE1 HIS A 71 -6.197 17.494 1.010 1.00 9.76 H new ATOM 0 HE2 HIS A 71 -5.171 17.169 3.345 1.00 10.03 H new ATOM 1159 N ALA A 72 -0.024 17.939 -1.302 1.00 5.82 N ATOM 1160 CA ALA A 72 0.595 19.243 -1.115 1.00 6.38 C ATOM 1161 C ALA A 72 0.919 19.815 -2.493 1.00 5.63 C ATOM 1162 O ALA A 72 2.038 20.265 -2.744 1.00 6.22 O ATOM 1163 CB ALA A 72 1.843 19.103 -0.233 1.00 7.72 C ATOM 0 H ALA A 72 0.139 17.543 -2.228 1.00 5.82 H new ATOM 0 HA ALA A 72 -0.078 19.930 -0.603 1.00 6.38 H new ATOM 0 HB1 ALA A 72 2.303 20.082 -0.096 1.00 7.72 H new ATOM 0 HB2 ALA A 72 1.559 18.696 0.738 1.00 7.72 H new ATOM 0 HB3 ALA A 72 2.555 18.432 -0.714 1.00 7.72 H new ATOM 1169 N ALA A 73 -0.037 19.721 -3.415 1.00 4.86 N ATOM 1170 CA ALA A 73 0.153 20.031 -4.820 1.00 4.63 C ATOM 1171 C ALA A 73 -0.964 20.912 -5.378 1.00 5.51 C ATOM 1172 O ALA A 73 -0.788 21.503 -6.443 1.00 5.94 O ATOM 1173 CB ALA A 73 0.282 18.723 -5.607 1.00 4.00 C ATOM 0 H ALA A 73 -0.986 19.419 -3.195 1.00 4.86 H new ATOM 0 HA ALA A 73 1.070 20.610 -4.925 1.00 4.63 H new ATOM 0 HB1 ALA A 73 0.425 18.947 -6.664 1.00 4.00 H new ATOM 0 HB2 ALA A 73 1.138 18.158 -5.237 1.00 4.00 H new ATOM 0 HB3 ALA A 73 -0.625 18.132 -5.481 1.00 4.00 H new ATOM 1179 N PHE A 74 -2.117 20.987 -4.710 1.00 6.24 N ATOM 1180 CA PHE A 74 -3.235 21.818 -5.134 1.00 7.42 C ATOM 1181 C PHE A 74 -3.865 22.476 -3.909 1.00 8.11 C ATOM 1182 O PHE A 74 -4.959 22.115 -3.484 1.00 8.90 O ATOM 1183 CB PHE A 74 -4.217 20.991 -5.982 1.00 8.00 C ATOM 1184 CG PHE A 74 -4.624 21.694 -7.256 1.00 8.63 C ATOM 1185 CD1 PHE A 74 -3.700 21.808 -8.307 1.00 8.64 C ATOM 1186 CD2 PHE A 74 -5.870 22.337 -7.342 1.00 9.82 C ATOM 1187 CE1 PHE A 74 -4.007 22.592 -9.428 1.00 9.72 C ATOM 1188 CE2 PHE A 74 -6.193 23.082 -8.486 1.00 10.86 C ATOM 1189 CZ PHE A 74 -5.258 23.223 -9.523 1.00 10.76 C ATOM 0 H PHE A 74 -2.298 20.466 -3.852 1.00 6.24 H new ATOM 0 HA PHE A 74 -2.897 22.627 -5.782 1.00 7.42 H new ATOM 0 HB2 PHE A 74 -3.759 20.034 -6.231 1.00 8.00 H new ATOM 0 HB3 PHE A 74 -5.107 20.774 -5.391 1.00 8.00 H new ATOM 0 HD1 PHE A 74 -2.753 21.292 -8.252 1.00 8.64 H new ATOM 0 HD2 PHE A 74 -6.577 22.258 -6.530 1.00 9.82 H new ATOM 0 HE1 PHE A 74 -3.281 22.711 -10.219 1.00 9.72 H new ATOM 0 HE2 PHE A 74 -7.164 23.548 -8.569 1.00 10.86 H new ATOM 0 HZ PHE A 74 -5.500 23.816 -10.393 1.00 10.76 H new ATOM 1199 N GLU A 75 -3.114 23.403 -3.323 1.00 8.11 N ATOM 1200 CA GLU A 75 -3.406 24.113 -2.085 1.00 8.99 C ATOM 1201 C GLU A 75 -3.427 25.630 -2.334 1.00 9.58 C ATOM 1202 O GLU A 75 -3.279 26.414 -1.392 1.00 10.32 O ATOM 1203 CB GLU A 75 -2.309 23.713 -1.087 1.00 8.79 C ATOM 1204 CG GLU A 75 -2.553 22.303 -0.537 1.00 9.38 C ATOM 1205 CD GLU A 75 -3.692 22.302 0.457 1.00 10.61 C ATOM 1206 OE1 GLU A 75 -3.595 23.061 1.442 1.00 11.44 O ATOM 1207 OE2 GLU A 75 -4.687 21.575 0.254 1.00 11.04 O ATOM 0 H GLU A 75 -2.226 23.697 -3.729 1.00 8.11 H new ATOM 0 HA GLU A 75 -4.388 23.853 -1.690 1.00 8.99 H new ATOM 0 HB2 GLU A 75 -1.336 23.753 -1.576 1.00 8.79 H new ATOM 0 HB3 GLU A 75 -2.282 24.428 -0.265 1.00 8.79 H new ATOM 0 HG2 GLU A 75 -2.780 21.622 -1.358 1.00 9.38 H new ATOM 0 HG3 GLU A 75 -1.646 21.933 -0.058 1.00 9.38 H new ATOM 1214 N GLN A 76 -3.519 26.034 -3.603 1.00 9.53 N ATOM 1215 CA GLN A 76 -3.269 27.374 -4.074 1.00 10.33 C ATOM 1216 C GLN A 76 -4.588 28.143 -4.079 1.00 11.37 C ATOM 1217 O GLN A 76 -5.495 27.717 -4.825 1.00 11.40 O ATOM 1218 CB GLN A 76 -2.593 27.264 -5.456 1.00 10.42 C ATOM 1219 CG GLN A 76 -1.896 28.538 -5.940 1.00 11.07 C ATOM 1220 CD GLN A 76 -2.925 29.604 -6.268 1.00 12.00 C ATOM 1221 OE1 GLN A 76 -3.063 30.591 -5.550 1.00 12.79 O ATOM 1222 NE2 GLN A 76 -3.714 29.389 -7.316 1.00 12.28 N ATOM 1223 OXT GLN A 76 -4.875 28.807 -3.067 1.00 12.34 O ATOM 0 H GLN A 76 -3.783 25.397 -4.355 1.00 9.53 H new ATOM 0 HA GLN A 76 -2.593 27.934 -3.428 1.00 10.33 H new ATOM 0 HB2 GLN A 76 -1.860 26.458 -5.422 1.00 10.42 H new ATOM 0 HB3 GLN A 76 -3.346 26.979 -6.190 1.00 10.42 H new ATOM 0 HG2 GLN A 76 -1.215 28.903 -5.171 1.00 11.07 H new ATOM 0 HG3 GLN A 76 -1.294 28.320 -6.822 1.00 11.07 H new ATOM 0 HE21 GLN A 76 -3.577 28.561 -7.896 1.00 12.28 H new ATOM 0 HE22 GLN A 76 -4.456 30.052 -7.540 1.00 12.28 H new TER 1232 GLN A 76