USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 429 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.0073) USER MOD Single : A 7 TYR OH : rot -56:sc= -3.32! USER MOD Single : A 16 LYS NZ :NH3+ -115:sc= -1.09! (180deg=-2.85!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 37:sc= -3.29! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -1.59 USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= -0.0663 (180deg=-0.313) USER MOD Single : A 42 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.012) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -88:sc= 0.0316 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.382 12.406 10.034 1.00 8.06 N ATOM 2 CA GLY A 1 -17.621 11.955 8.837 1.00 7.57 C ATOM 3 C GLY A 1 -17.461 10.448 8.786 1.00 6.85 C ATOM 4 O GLY A 1 -17.150 9.814 9.795 1.00 7.15 O ATOM 0 H1 GLY A 1 -18.464 13.443 10.023 1.00 8.06 H new ATOM 0 H2 GLY A 1 -19.332 11.983 10.021 1.00 8.06 H new ATOM 0 H3 GLY A 1 -17.882 12.108 10.896 1.00 8.06 H new ATOM 0 HA2 GLY A 1 -18.133 12.294 7.936 1.00 7.57 H new ATOM 0 HA3 GLY A 1 -16.636 12.422 8.839 1.00 7.57 H new ATOM 10 N SER A 2 -17.675 9.873 7.607 1.00 6.18 N ATOM 11 CA SER A 2 -17.553 8.432 7.426 1.00 5.72 C ATOM 12 C SER A 2 -17.794 8.059 5.960 1.00 4.72 C ATOM 13 O SER A 2 -17.562 8.874 5.066 1.00 4.80 O ATOM 14 CB SER A 2 -18.546 7.710 8.341 1.00 6.23 C ATOM 15 OG SER A 2 -19.884 7.963 7.945 1.00 6.61 O ATOM 0 H SER A 2 -17.934 10.384 6.763 1.00 6.18 H new ATOM 0 HA SER A 2 -16.543 8.121 7.693 1.00 5.72 H new ATOM 0 HB2 SER A 2 -18.353 6.637 8.317 1.00 6.23 H new ATOM 0 HB3 SER A 2 -18.400 8.037 9.371 1.00 6.23 H new ATOM 0 HG SER A 2 -20.498 7.489 8.544 1.00 6.61 H new ATOM 21 N GLN A 3 -18.257 6.836 5.709 1.00 4.14 N ATOM 22 CA GLN A 3 -18.517 6.391 4.345 1.00 3.35 C ATOM 23 C GLN A 3 -19.473 7.347 3.644 1.00 2.59 C ATOM 24 O GLN A 3 -20.617 7.515 4.070 1.00 2.90 O ATOM 25 CB GLN A 3 -19.110 4.980 4.358 1.00 3.86 C ATOM 26 CG GLN A 3 -18.195 3.942 4.985 1.00 4.58 C ATOM 27 CD GLN A 3 -18.818 2.560 5.016 1.00 5.22 C ATOM 28 OE1 GLN A 3 -19.877 2.358 5.612 1.00 5.66 O ATOM 29 NE2 GLN A 3 -18.164 1.599 4.374 1.00 5.68 N ATOM 0 H GLN A 3 -18.458 6.141 6.428 1.00 4.14 H new ATOM 0 HA GLN A 3 -17.573 6.379 3.800 1.00 3.35 H new ATOM 0 HB2 GLN A 3 -20.054 4.997 4.903 1.00 3.86 H new ATOM 0 HB3 GLN A 3 -19.338 4.681 3.335 1.00 3.86 H new ATOM 0 HG2 GLN A 3 -17.260 3.903 4.427 1.00 4.58 H new ATOM 0 HG3 GLN A 3 -17.947 4.248 6.001 1.00 4.58 H new ATOM 0 HE21 GLN A 3 -17.290 1.811 3.893 1.00 5.68 H new ATOM 0 HE22 GLN A 3 -18.536 0.649 4.362 1.00 5.68 H new ATOM 38 N VAL A 4 -19.004 7.978 2.571 1.00 1.80 N ATOM 39 CA VAL A 4 -19.836 8.915 1.835 1.00 1.52 C ATOM 40 C VAL A 4 -20.943 8.207 1.049 1.00 1.35 C ATOM 41 O VAL A 4 -22.107 8.217 1.450 1.00 1.75 O ATOM 42 CB VAL A 4 -18.983 9.781 0.876 1.00 1.48 C ATOM 43 CG1 VAL A 4 -19.862 10.675 0.011 1.00 2.08 C ATOM 44 CG2 VAL A 4 -18.007 10.621 1.681 1.00 1.97 C ATOM 0 H VAL A 4 -18.062 7.857 2.198 1.00 1.80 H new ATOM 0 HA VAL A 4 -20.309 9.562 2.574 1.00 1.52 H new ATOM 0 HB VAL A 4 -18.429 9.118 0.212 1.00 1.48 H new ATOM 0 HG11 VAL A 4 -19.234 11.271 -0.652 1.00 2.08 H new ATOM 0 HG12 VAL A 4 -20.535 10.058 -0.584 1.00 2.08 H new ATOM 0 HG13 VAL A 4 -20.447 11.337 0.649 1.00 2.08 H new ATOM 0 HG21 VAL A 4 -17.407 11.230 1.005 1.00 1.97 H new ATOM 0 HG22 VAL A 4 -18.560 11.270 2.360 1.00 1.97 H new ATOM 0 HG23 VAL A 4 -17.353 9.967 2.257 1.00 1.97 H new ATOM 54 N PHE A 5 -20.569 7.620 -0.084 1.00 1.32 N ATOM 55 CA PHE A 5 -21.516 6.945 -0.930 1.00 1.88 C ATOM 56 C PHE A 5 -22.005 5.686 -0.217 1.00 1.68 C ATOM 57 O PHE A 5 -22.068 5.648 1.012 1.00 1.78 O ATOM 58 CB PHE A 5 -20.847 6.624 -2.272 1.00 2.50 C ATOM 59 CG PHE A 5 -21.807 6.554 -3.428 1.00 2.99 C ATOM 60 CD1 PHE A 5 -22.761 7.540 -3.613 1.00 3.34 C ATOM 61 CD2 PHE A 5 -21.752 5.502 -4.328 1.00 3.37 C ATOM 62 CE1 PHE A 5 -23.645 7.479 -4.674 1.00 4.01 C ATOM 63 CE2 PHE A 5 -22.633 5.434 -5.390 1.00 3.96 C ATOM 64 CZ PHE A 5 -23.581 6.425 -5.564 1.00 4.27 C ATOM 0 H PHE A 5 -19.609 7.605 -0.429 1.00 1.32 H new ATOM 0 HA PHE A 5 -22.382 7.576 -1.131 1.00 1.88 H new ATOM 0 HB2 PHE A 5 -20.094 7.383 -2.483 1.00 2.50 H new ATOM 0 HB3 PHE A 5 -20.324 5.671 -2.188 1.00 2.50 H new ATOM 0 HD1 PHE A 5 -22.815 8.367 -2.920 1.00 3.34 H new ATOM 0 HD2 PHE A 5 -21.012 4.726 -4.198 1.00 3.37 H new ATOM 0 HE1 PHE A 5 -24.385 8.255 -4.807 1.00 4.01 H new ATOM 0 HE2 PHE A 5 -22.581 4.608 -6.083 1.00 3.96 H new ATOM 0 HZ PHE A 5 -24.270 6.375 -6.394 1.00 4.27 H new ATOM 74 N GLU A 6 -22.303 4.647 -0.980 1.00 1.60 N ATOM 75 CA GLU A 6 -22.725 3.387 -0.417 1.00 1.52 C ATOM 76 C GLU A 6 -21.523 2.699 0.216 1.00 1.24 C ATOM 77 O GLU A 6 -21.552 2.283 1.374 1.00 1.24 O ATOM 78 CB GLU A 6 -23.291 2.525 -1.527 1.00 1.66 C ATOM 79 CG GLU A 6 -24.663 2.972 -2.010 1.00 2.10 C ATOM 80 CD GLU A 6 -25.206 2.092 -3.118 1.00 2.44 C ATOM 81 OE1 GLU A 6 -25.373 0.877 -2.883 1.00 2.84 O ATOM 82 OE2 GLU A 6 -25.467 2.618 -4.221 1.00 2.75 O ATOM 0 H GLU A 6 -22.258 4.658 -1.999 1.00 1.60 H new ATOM 0 HA GLU A 6 -23.488 3.546 0.345 1.00 1.52 H new ATOM 0 HB2 GLU A 6 -22.599 2.532 -2.369 1.00 1.66 H new ATOM 0 HB3 GLU A 6 -23.357 1.495 -1.177 1.00 1.66 H new ATOM 0 HG2 GLU A 6 -25.359 2.965 -1.171 1.00 2.10 H new ATOM 0 HG3 GLU A 6 -24.602 4.001 -2.365 1.00 2.10 H new ATOM 89 N TYR A 7 -20.461 2.612 -0.576 1.00 1.11 N ATOM 90 CA TYR A 7 -19.207 2.013 -0.162 1.00 0.94 C ATOM 91 C TYR A 7 -19.330 0.508 0.053 1.00 0.89 C ATOM 92 O TYR A 7 -18.813 -0.034 1.030 1.00 1.24 O ATOM 93 CB TYR A 7 -18.666 2.698 1.094 1.00 1.04 C ATOM 94 CG TYR A 7 -17.321 3.371 0.893 1.00 0.98 C ATOM 95 CD1 TYR A 7 -16.422 2.922 -0.075 1.00 0.85 C ATOM 96 CD2 TYR A 7 -16.947 4.460 1.669 1.00 1.26 C ATOM 97 CE1 TYR A 7 -15.201 3.537 -0.251 1.00 1.02 C ATOM 98 CE2 TYR A 7 -15.727 5.078 1.492 1.00 1.37 C ATOM 99 CZ TYR A 7 -14.860 4.613 0.534 1.00 1.27 C ATOM 100 OH TYR A 7 -13.646 5.226 0.357 1.00 1.49 O ATOM 0 H TYR A 7 -20.451 2.961 -1.534 1.00 1.11 H new ATOM 0 HA TYR A 7 -18.496 2.164 -0.975 1.00 0.94 H new ATOM 0 HB2 TYR A 7 -19.388 3.442 1.430 1.00 1.04 H new ATOM 0 HB3 TYR A 7 -18.577 1.959 1.890 1.00 1.04 H new ATOM 0 HD1 TYR A 7 -16.687 2.079 -0.696 1.00 0.85 H new ATOM 0 HD2 TYR A 7 -17.624 4.830 2.425 1.00 1.26 H new ATOM 0 HE1 TYR A 7 -14.515 3.175 -1.003 1.00 1.02 H new ATOM 0 HE2 TYR A 7 -15.454 5.925 2.105 1.00 1.37 H new ATOM 0 HH TYR A 7 -12.929 4.564 0.446 1.00 1.49 H new ATOM 110 N ALA A 8 -19.997 -0.166 -0.877 1.00 0.77 N ATOM 111 CA ALA A 8 -20.171 -1.607 -0.810 1.00 0.72 C ATOM 112 C ALA A 8 -19.564 -2.241 -2.053 1.00 0.62 C ATOM 113 O ALA A 8 -20.214 -3.027 -2.742 1.00 0.69 O ATOM 114 CB ALA A 8 -21.644 -1.966 -0.689 1.00 0.89 C ATOM 0 H ALA A 8 -20.429 0.270 -1.692 1.00 0.77 H new ATOM 0 HA ALA A 8 -19.663 -1.990 0.075 1.00 0.72 H new ATOM 0 HB1 ALA A 8 -21.752 -3.050 -0.640 1.00 0.89 H new ATOM 0 HB2 ALA A 8 -22.054 -1.520 0.217 1.00 0.89 H new ATOM 0 HB3 ALA A 8 -22.183 -1.586 -1.557 1.00 0.89 H new ATOM 120 N GLU A 9 -18.318 -1.875 -2.348 1.00 0.57 N ATOM 121 CA GLU A 9 -17.636 -2.381 -3.515 1.00 0.59 C ATOM 122 C GLU A 9 -17.650 -3.889 -3.501 1.00 0.51 C ATOM 123 O GLU A 9 -17.876 -4.538 -4.522 1.00 0.56 O ATOM 124 CB GLU A 9 -16.178 -1.923 -3.570 1.00 0.71 C ATOM 125 CG GLU A 9 -15.840 -0.729 -2.741 1.00 0.64 C ATOM 126 CD GLU A 9 -16.740 0.453 -3.031 1.00 0.75 C ATOM 127 OE1 GLU A 9 -16.610 1.048 -4.121 1.00 1.19 O ATOM 128 OE2 GLU A 9 -17.591 0.761 -2.182 1.00 1.28 O ATOM 0 H GLU A 9 -17.767 -1.227 -1.786 1.00 0.57 H new ATOM 0 HA GLU A 9 -18.162 -1.991 -4.387 1.00 0.59 H new ATOM 0 HB2 GLU A 9 -15.544 -2.752 -3.254 1.00 0.71 H new ATOM 0 HB3 GLU A 9 -15.924 -1.705 -4.607 1.00 0.71 H new ATOM 0 HG2 GLU A 9 -15.918 -0.990 -1.686 1.00 0.64 H new ATOM 0 HG3 GLU A 9 -14.804 -0.446 -2.924 1.00 0.64 H new ATOM 135 N VAL A 10 -17.379 -4.435 -2.319 1.00 0.43 N ATOM 136 CA VAL A 10 -17.328 -5.873 -2.126 1.00 0.42 C ATOM 137 C VAL A 10 -16.538 -6.515 -3.247 1.00 0.46 C ATOM 138 O VAL A 10 -16.863 -7.599 -3.723 1.00 0.53 O ATOM 139 CB VAL A 10 -18.743 -6.442 -2.063 1.00 0.52 C ATOM 140 CG1 VAL A 10 -19.443 -6.376 -3.415 1.00 0.94 C ATOM 141 CG2 VAL A 10 -18.740 -7.858 -1.508 1.00 1.06 C ATOM 0 H VAL A 10 -17.190 -3.893 -1.476 1.00 0.43 H new ATOM 0 HA VAL A 10 -16.829 -6.093 -1.182 1.00 0.42 H new ATOM 0 HB VAL A 10 -19.314 -5.816 -1.378 1.00 0.52 H new ATOM 0 HG11 VAL A 10 -20.447 -6.791 -3.326 1.00 0.94 H new ATOM 0 HG12 VAL A 10 -19.507 -5.338 -3.741 1.00 0.94 H new ATOM 0 HG13 VAL A 10 -18.876 -6.952 -4.147 1.00 0.94 H new ATOM 0 HG21 VAL A 10 -19.761 -8.238 -1.475 1.00 1.06 H new ATOM 0 HG22 VAL A 10 -18.135 -8.499 -2.150 1.00 1.06 H new ATOM 0 HG23 VAL A 10 -18.321 -7.853 -0.502 1.00 1.06 H new ATOM 151 N ASP A 11 -15.498 -5.794 -3.651 1.00 0.45 N ATOM 152 CA ASP A 11 -14.603 -6.217 -4.745 1.00 0.53 C ATOM 153 C ASP A 11 -13.782 -5.049 -5.347 1.00 0.54 C ATOM 154 O ASP A 11 -12.732 -5.286 -5.947 1.00 0.68 O ATOM 155 CB ASP A 11 -15.410 -6.885 -5.871 1.00 0.64 C ATOM 156 CG ASP A 11 -14.588 -7.170 -7.120 1.00 1.20 C ATOM 157 OD1 ASP A 11 -14.088 -6.205 -7.736 1.00 1.94 O ATOM 158 OD2 ASP A 11 -14.446 -8.358 -7.479 1.00 1.69 O ATOM 0 H ASP A 11 -15.244 -4.898 -3.235 1.00 0.45 H new ATOM 0 HA ASP A 11 -13.901 -6.924 -4.303 1.00 0.53 H new ATOM 0 HB2 ASP A 11 -15.830 -7.820 -5.501 1.00 0.64 H new ATOM 0 HB3 ASP A 11 -16.249 -6.242 -6.137 1.00 0.64 H new ATOM 163 N GLU A 12 -14.273 -3.807 -5.243 1.00 0.49 N ATOM 164 CA GLU A 12 -13.570 -2.651 -5.851 1.00 0.54 C ATOM 165 C GLU A 12 -13.156 -1.557 -4.851 1.00 0.50 C ATOM 166 O GLU A 12 -13.778 -0.502 -4.807 1.00 0.60 O ATOM 167 CB GLU A 12 -14.472 -2.015 -6.897 1.00 0.64 C ATOM 168 CG GLU A 12 -15.062 -3.010 -7.884 1.00 1.27 C ATOM 169 CD GLU A 12 -15.929 -2.343 -8.935 1.00 1.74 C ATOM 170 OE1 GLU A 12 -16.061 -1.102 -8.895 1.00 2.23 O ATOM 171 OE2 GLU A 12 -16.474 -3.063 -9.797 1.00 2.26 O ATOM 0 H GLU A 12 -15.137 -3.571 -4.755 1.00 0.49 H new ATOM 0 HA GLU A 12 -12.652 -3.053 -6.279 1.00 0.54 H new ATOM 0 HB2 GLU A 12 -15.285 -1.492 -6.393 1.00 0.64 H new ATOM 0 HB3 GLU A 12 -13.903 -1.266 -7.447 1.00 0.64 H new ATOM 0 HG2 GLU A 12 -14.254 -3.552 -8.375 1.00 1.27 H new ATOM 0 HG3 GLU A 12 -15.656 -3.746 -7.342 1.00 1.27 H new ATOM 178 N ILE A 13 -12.094 -1.817 -4.082 1.00 0.42 N ATOM 179 CA ILE A 13 -11.540 -0.890 -3.078 1.00 0.38 C ATOM 180 C ILE A 13 -12.541 0.042 -2.362 1.00 0.39 C ATOM 181 O ILE A 13 -13.220 0.860 -2.979 1.00 0.52 O ATOM 182 CB ILE A 13 -10.454 -0.003 -3.687 1.00 0.48 C ATOM 183 CG1 ILE A 13 -11.001 0.739 -4.905 1.00 1.00 C ATOM 184 CG2 ILE A 13 -9.239 -0.827 -4.067 1.00 0.95 C ATOM 185 CD1 ILE A 13 -10.007 1.695 -5.517 1.00 1.56 C ATOM 0 H ILE A 13 -11.581 -2.697 -4.138 1.00 0.42 H new ATOM 0 HA ILE A 13 -11.154 -1.573 -2.321 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.147 0.730 -2.941 1.00 0.48 H new ATOM 0 HG12 ILE A 13 -11.306 0.012 -5.658 1.00 1.00 H new ATOM 0 HG13 ILE A 13 -11.894 1.291 -4.614 1.00 1.00 H new ATOM 0 HG21 ILE A 13 -8.478 -0.176 -4.498 1.00 0.95 H new ATOM 0 HG22 ILE A 13 -8.838 -1.315 -3.179 1.00 0.95 H new ATOM 0 HG23 ILE A 13 -9.526 -1.583 -4.798 1.00 0.95 H new ATOM 0 HD11 ILE A 13 -10.459 2.189 -6.377 1.00 1.56 H new ATOM 0 HD12 ILE A 13 -9.720 2.443 -4.778 1.00 1.56 H new ATOM 0 HD13 ILE A 13 -9.123 1.144 -5.838 1.00 1.56 H new ATOM 197 N VAL A 14 -12.551 -0.050 -1.028 1.00 0.33 N ATOM 198 CA VAL A 14 -13.392 0.783 -0.182 1.00 0.37 C ATOM 199 C VAL A 14 -12.539 1.719 0.657 1.00 0.37 C ATOM 200 O VAL A 14 -12.996 2.788 1.055 1.00 0.48 O ATOM 201 CB VAL A 14 -14.321 -0.071 0.761 1.00 0.38 C ATOM 202 CG1 VAL A 14 -14.192 0.287 2.248 1.00 0.44 C ATOM 203 CG2 VAL A 14 -15.767 0.091 0.352 1.00 0.51 C ATOM 0 H VAL A 14 -11.971 -0.709 -0.509 1.00 0.33 H new ATOM 0 HA VAL A 14 -14.033 1.364 -0.846 1.00 0.37 H new ATOM 0 HB VAL A 14 -13.990 -1.103 0.645 1.00 0.38 H new ATOM 0 HG11 VAL A 14 -14.862 -0.343 2.833 1.00 0.44 H new ATOM 0 HG12 VAL A 14 -13.164 0.125 2.574 1.00 0.44 H new ATOM 0 HG13 VAL A 14 -14.458 1.334 2.395 1.00 0.44 H new ATOM 0 HG21 VAL A 14 -16.400 -0.504 1.010 1.00 0.51 H new ATOM 0 HG22 VAL A 14 -16.051 1.141 0.426 1.00 0.51 H new ATOM 0 HG23 VAL A 14 -15.894 -0.247 -0.676 1.00 0.51 H new ATOM 213 N GLU A 15 -11.319 1.307 0.981 1.00 0.28 N ATOM 214 CA GLU A 15 -10.506 2.158 1.836 1.00 0.30 C ATOM 215 C GLU A 15 -9.059 2.257 1.398 1.00 0.31 C ATOM 216 O GLU A 15 -8.673 1.746 0.348 1.00 0.56 O ATOM 217 CB GLU A 15 -10.579 1.694 3.289 1.00 0.33 C ATOM 218 CG GLU A 15 -11.074 2.799 4.210 1.00 0.77 C ATOM 219 CD GLU A 15 -11.103 2.383 5.667 1.00 1.01 C ATOM 220 OE1 GLU A 15 -11.810 1.408 5.993 1.00 1.34 O ATOM 221 OE2 GLU A 15 -10.417 3.034 6.484 1.00 1.44 O ATOM 0 H GLU A 15 -10.888 0.432 0.682 1.00 0.28 H new ATOM 0 HA GLU A 15 -10.929 3.158 1.745 1.00 0.30 H new ATOM 0 HB2 GLU A 15 -11.244 0.834 3.363 1.00 0.33 H new ATOM 0 HB3 GLU A 15 -9.593 1.363 3.615 1.00 0.33 H new ATOM 0 HG2 GLU A 15 -10.431 3.672 4.099 1.00 0.77 H new ATOM 0 HG3 GLU A 15 -12.076 3.099 3.903 1.00 0.77 H new ATOM 228 N LYS A 16 -8.270 2.954 2.221 1.00 0.26 N ATOM 229 CA LYS A 16 -6.865 3.175 1.930 1.00 0.29 C ATOM 230 C LYS A 16 -6.185 3.964 3.043 1.00 0.47 C ATOM 231 O LYS A 16 -6.706 4.040 4.153 1.00 0.82 O ATOM 232 CB LYS A 16 -6.779 3.932 0.630 1.00 0.45 C ATOM 233 CG LYS A 16 -7.321 5.353 0.696 1.00 0.89 C ATOM 234 CD LYS A 16 -6.207 6.383 0.769 1.00 1.44 C ATOM 235 CE LYS A 16 -6.733 7.786 0.590 1.00 2.23 C ATOM 236 NZ LYS A 16 -5.635 8.793 0.616 1.00 3.04 N ATOM 0 H LYS A 16 -8.589 3.373 3.095 1.00 0.26 H new ATOM 0 HA LYS A 16 -6.352 2.216 1.855 1.00 0.29 H new ATOM 0 HB2 LYS A 16 -5.737 3.967 0.312 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -7.327 3.382 -0.135 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -7.938 5.547 -0.182 1.00 0.89 H new ATOM 0 HG3 LYS A 16 -7.967 5.455 1.568 1.00 0.89 H new ATOM 0 HD2 LYS A 16 -5.701 6.304 1.731 1.00 1.44 H new ATOM 0 HD3 LYS A 16 -5.465 6.172 -0.000 1.00 1.44 H new ATOM 0 HE2 LYS A 16 -7.269 7.856 -0.357 1.00 2.23 H new ATOM 0 HE3 LYS A 16 -7.451 8.009 1.380 1.00 2.23 H new ATOM 0 HZ1 LYS A 16 -5.748 9.409 1.447 1.00 3.04 H new ATOM 0 HZ2 LYS A 16 -4.718 8.305 0.669 1.00 3.04 H new ATOM 0 HZ3 LYS A 16 -5.672 9.369 -0.249 1.00 3.04 H new ATOM 250 N ARG A 17 -5.031 4.568 2.722 1.00 0.44 N ATOM 251 CA ARG A 17 -4.266 5.391 3.663 1.00 0.63 C ATOM 252 C ARG A 17 -3.273 4.544 4.445 1.00 1.08 C ATOM 253 O ARG A 17 -3.647 3.552 5.071 1.00 1.89 O ATOM 254 CB ARG A 17 -5.172 6.142 4.655 1.00 1.24 C ATOM 255 CG ARG A 17 -6.290 6.934 3.997 1.00 2.28 C ATOM 256 CD ARG A 17 -7.136 7.690 5.015 1.00 3.13 C ATOM 257 NE ARG A 17 -6.359 8.679 5.760 1.00 3.73 N ATOM 258 CZ ARG A 17 -5.573 8.387 6.794 1.00 4.40 C ATOM 259 NH1 ARG A 17 -5.541 7.154 7.284 1.00 4.67 N ATOM 260 NH2 ARG A 17 -4.844 9.337 7.359 1.00 5.19 N ATOM 0 H ARG A 17 -4.603 4.497 1.799 1.00 0.44 H new ATOM 0 HA ARG A 17 -3.732 6.126 3.061 1.00 0.63 H new ATOM 0 HB2 ARG A 17 -5.610 5.423 5.347 1.00 1.24 H new ATOM 0 HB3 ARG A 17 -4.559 6.822 5.247 1.00 1.24 H new ATOM 0 HG2 ARG A 17 -5.862 7.641 3.286 1.00 2.28 H new ATOM 0 HG3 ARG A 17 -6.927 6.256 3.429 1.00 2.28 H new ATOM 0 HD2 ARG A 17 -7.958 8.189 4.501 1.00 3.13 H new ATOM 0 HD3 ARG A 17 -7.580 6.980 5.713 1.00 3.13 H new ATOM 0 HE ARG A 17 -6.423 9.655 5.469 1.00 3.73 H new ATOM 0 HH11 ARG A 17 -6.120 6.425 6.868 1.00 4.67 H new ATOM 0 HH12 ARG A 17 -4.937 6.936 8.076 1.00 4.67 H new ATOM 0 HH21 ARG A 17 -4.885 10.292 7.002 1.00 5.19 H new ATOM 0 HH22 ARG A 17 -4.241 9.114 8.151 1.00 5.19 H new ATOM 274 N GLY A 18 -2.010 4.946 4.418 1.00 1.31 N ATOM 275 CA GLY A 18 -0.989 4.213 5.143 1.00 2.00 C ATOM 276 C GLY A 18 0.196 5.080 5.519 1.00 2.22 C ATOM 277 O GLY A 18 0.061 6.292 5.683 1.00 2.45 O ATOM 0 H GLY A 18 -1.674 5.764 3.909 1.00 1.31 H new ATOM 0 HA2 GLY A 18 -1.425 3.788 6.047 1.00 2.00 H new ATOM 0 HA3 GLY A 18 -0.644 3.378 4.533 1.00 2.00 H new ATOM 281 N LYS A 19 1.363 4.459 5.656 1.00 2.48 N ATOM 282 CA LYS A 19 2.577 5.185 6.014 1.00 2.97 C ATOM 283 C LYS A 19 3.019 6.081 4.866 1.00 2.66 C ATOM 284 O LYS A 19 2.662 5.843 3.711 1.00 2.54 O ATOM 285 CB LYS A 19 3.700 4.211 6.370 1.00 3.46 C ATOM 286 CG LYS A 19 3.302 3.163 7.397 1.00 4.17 C ATOM 287 CD LYS A 19 4.429 2.174 7.647 1.00 4.98 C ATOM 288 CE LYS A 19 4.030 1.113 8.659 1.00 5.96 C ATOM 289 NZ LYS A 19 5.119 0.121 8.884 1.00 6.54 N ATOM 0 H LYS A 19 1.494 3.456 5.525 1.00 2.48 H new ATOM 0 HA LYS A 19 2.358 5.804 6.884 1.00 2.97 H new ATOM 0 HB2 LYS A 19 4.033 3.708 5.462 1.00 3.46 H new ATOM 0 HB3 LYS A 19 4.550 4.776 6.752 1.00 3.46 H new ATOM 0 HG2 LYS A 19 3.032 3.653 8.333 1.00 4.17 H new ATOM 0 HG3 LYS A 19 2.418 2.629 7.050 1.00 4.17 H new ATOM 0 HD2 LYS A 19 4.708 1.695 6.708 1.00 4.98 H new ATOM 0 HD3 LYS A 19 5.309 2.708 8.007 1.00 4.98 H new ATOM 0 HE2 LYS A 19 3.774 1.591 9.604 1.00 5.96 H new ATOM 0 HE3 LYS A 19 3.135 0.597 8.310 1.00 5.96 H new ATOM 0 HZ1 LYS A 19 4.807 -0.585 9.581 1.00 6.54 H new ATOM 0 HZ2 LYS A 19 5.346 -0.354 7.987 1.00 6.54 H new ATOM 0 HZ3 LYS A 19 5.965 0.609 9.241 1.00 6.54 H new ATOM 303 N GLY A 20 3.801 7.111 5.182 1.00 2.95 N ATOM 304 CA GLY A 20 4.282 8.023 4.154 1.00 3.08 C ATOM 305 C GLY A 20 4.769 7.290 2.918 1.00 2.93 C ATOM 306 O GLY A 20 4.585 7.756 1.794 1.00 3.38 O ATOM 0 H GLY A 20 4.110 7.331 6.129 1.00 2.95 H new ATOM 0 HA2 GLY A 20 3.481 8.708 3.876 1.00 3.08 H new ATOM 0 HA3 GLY A 20 5.093 8.628 4.559 1.00 3.08 H new ATOM 310 N LYS A 21 5.381 6.129 3.134 1.00 2.71 N ATOM 311 CA LYS A 21 5.886 5.311 2.039 1.00 2.99 C ATOM 312 C LYS A 21 5.246 3.926 2.074 1.00 2.67 C ATOM 313 O LYS A 21 5.936 2.908 1.994 1.00 3.19 O ATOM 314 CB LYS A 21 7.409 5.187 2.118 1.00 3.64 C ATOM 315 CG LYS A 21 8.134 6.521 2.038 1.00 4.42 C ATOM 316 CD LYS A 21 9.643 6.336 2.049 1.00 5.23 C ATOM 317 CE LYS A 21 10.105 5.600 3.296 1.00 5.87 C ATOM 318 NZ LYS A 21 11.581 5.394 3.304 1.00 6.40 N ATOM 0 H LYS A 21 5.539 5.734 4.061 1.00 2.71 H new ATOM 0 HA LYS A 21 5.625 5.797 1.099 1.00 2.99 H new ATOM 0 HB2 LYS A 21 7.677 4.693 3.052 1.00 3.64 H new ATOM 0 HB3 LYS A 21 7.755 4.546 1.308 1.00 3.64 H new ATOM 0 HG2 LYS A 21 7.837 7.044 1.129 1.00 4.42 H new ATOM 0 HG3 LYS A 21 7.837 7.149 2.878 1.00 4.42 H new ATOM 0 HD2 LYS A 21 9.949 5.780 1.163 1.00 5.23 H new ATOM 0 HD3 LYS A 21 10.130 7.310 1.998 1.00 5.23 H new ATOM 0 HE2 LYS A 21 9.812 6.165 4.181 1.00 5.87 H new ATOM 0 HE3 LYS A 21 9.603 4.634 3.355 1.00 5.87 H new ATOM 0 HZ1 LYS A 21 11.856 4.889 4.170 1.00 6.40 H new ATOM 0 HZ2 LYS A 21 11.858 4.833 2.473 1.00 6.40 H new ATOM 0 HZ3 LYS A 21 12.060 6.316 3.274 1.00 6.40 H new ATOM 332 N ASP A 22 3.921 3.897 2.187 1.00 2.05 N ATOM 333 CA ASP A 22 3.176 2.648 2.228 1.00 1.82 C ATOM 334 C ASP A 22 1.682 2.929 2.311 1.00 1.49 C ATOM 335 O ASP A 22 1.176 3.407 3.325 1.00 1.91 O ATOM 336 CB ASP A 22 3.615 1.797 3.420 1.00 2.35 C ATOM 337 CG ASP A 22 2.930 0.444 3.445 1.00 2.77 C ATOM 338 OD1 ASP A 22 2.116 0.173 2.538 1.00 3.28 O ATOM 339 OD2 ASP A 22 3.209 -0.346 4.372 1.00 3.13 O ATOM 0 H ASP A 22 3.340 4.733 2.252 1.00 2.05 H new ATOM 0 HA ASP A 22 3.383 2.095 1.312 1.00 1.82 H new ATOM 0 HB2 ASP A 22 4.695 1.654 3.383 1.00 2.35 H new ATOM 0 HB3 ASP A 22 3.395 2.330 4.345 1.00 2.35 H new ATOM 344 N VAL A 23 0.996 2.629 1.225 1.00 0.98 N ATOM 345 CA VAL A 23 -0.443 2.835 1.115 1.00 0.77 C ATOM 346 C VAL A 23 -1.061 1.686 0.342 1.00 0.57 C ATOM 347 O VAL A 23 -0.350 0.911 -0.299 1.00 0.70 O ATOM 348 CB VAL A 23 -0.757 4.135 0.372 1.00 0.90 C ATOM 349 CG1 VAL A 23 -2.232 4.491 0.496 1.00 1.50 C ATOM 350 CG2 VAL A 23 0.124 5.270 0.871 1.00 1.54 C ATOM 0 H VAL A 23 1.420 2.233 0.386 1.00 0.98 H new ATOM 0 HA VAL A 23 -0.853 2.889 2.123 1.00 0.77 H new ATOM 0 HB VAL A 23 -0.539 3.981 -0.685 1.00 0.90 H new ATOM 0 HG11 VAL A 23 -2.429 5.419 -0.041 1.00 1.50 H new ATOM 0 HG12 VAL A 23 -2.837 3.690 0.070 1.00 1.50 H new ATOM 0 HG13 VAL A 23 -2.488 4.619 1.548 1.00 1.50 H new ATOM 0 HG21 VAL A 23 -0.118 6.184 0.328 1.00 1.54 H new ATOM 0 HG22 VAL A 23 -0.050 5.424 1.936 1.00 1.54 H new ATOM 0 HG23 VAL A 23 1.171 5.017 0.707 1.00 1.54 H new ATOM 360 N GLU A 24 -2.377 1.562 0.396 1.00 0.53 N ATOM 361 CA GLU A 24 -3.046 0.483 -0.316 1.00 0.45 C ATOM 362 C GLU A 24 -4.533 0.728 -0.443 1.00 0.44 C ATOM 363 O GLU A 24 -5.127 1.430 0.359 1.00 0.47 O ATOM 364 CB GLU A 24 -2.802 -0.875 0.365 1.00 0.66 C ATOM 365 CG GLU A 24 -1.943 -0.816 1.624 1.00 1.82 C ATOM 366 CD GLU A 24 -1.870 -2.147 2.347 1.00 2.49 C ATOM 367 OE1 GLU A 24 -2.529 -3.106 1.895 1.00 2.95 O ATOM 368 OE2 GLU A 24 -1.157 -2.229 3.369 1.00 3.03 O ATOM 0 H GLU A 24 -2.996 2.184 0.916 1.00 0.53 H new ATOM 0 HA GLU A 24 -2.615 0.459 -1.317 1.00 0.45 H new ATOM 0 HB2 GLU A 24 -3.766 -1.315 0.620 1.00 0.66 H new ATOM 0 HB3 GLU A 24 -2.326 -1.544 -0.352 1.00 0.66 H new ATOM 0 HG2 GLU A 24 -0.936 -0.497 1.357 1.00 1.82 H new ATOM 0 HG3 GLU A 24 -2.347 -0.062 2.300 1.00 1.82 H new ATOM 375 N TYR A 25 -5.107 0.158 -1.492 1.00 0.44 N ATOM 376 CA TYR A 25 -6.528 0.300 -1.779 1.00 0.46 C ATOM 377 C TYR A 25 -7.130 -1.056 -2.067 1.00 0.50 C ATOM 378 O TYR A 25 -6.900 -1.643 -3.110 1.00 0.76 O ATOM 379 CB TYR A 25 -6.727 1.277 -2.936 1.00 0.46 C ATOM 380 CG TYR A 25 -6.036 2.561 -2.629 1.00 0.41 C ATOM 381 CD1 TYR A 25 -4.661 2.615 -2.593 1.00 0.42 C ATOM 382 CD2 TYR A 25 -6.745 3.690 -2.300 1.00 0.48 C ATOM 383 CE1 TYR A 25 -4.001 3.757 -2.242 1.00 0.46 C ATOM 384 CE2 TYR A 25 -6.095 4.852 -1.953 1.00 0.56 C ATOM 385 CZ TYR A 25 -4.716 4.881 -1.923 1.00 0.49 C ATOM 386 OH TYR A 25 -4.050 6.034 -1.573 1.00 0.67 O ATOM 0 H TYR A 25 -4.602 -0.415 -2.168 1.00 0.44 H new ATOM 0 HA TYR A 25 -7.044 0.710 -0.911 1.00 0.46 H new ATOM 0 HB2 TYR A 25 -6.331 0.851 -3.858 1.00 0.46 H new ATOM 0 HB3 TYR A 25 -7.790 1.454 -3.097 1.00 0.46 H new ATOM 0 HD1 TYR A 25 -4.091 1.734 -2.848 1.00 0.42 H new ATOM 0 HD2 TYR A 25 -7.825 3.666 -2.314 1.00 0.48 H new ATOM 0 HE1 TYR A 25 -2.921 3.774 -2.216 1.00 0.46 H new ATOM 0 HE2 TYR A 25 -6.662 5.737 -1.705 1.00 0.56 H new ATOM 0 HH TYR A 25 -3.237 6.119 -2.114 1.00 0.67 H new ATOM 396 N LEU A 26 -7.865 -1.551 -1.091 1.00 0.29 N ATOM 397 CA LEU A 26 -8.487 -2.864 -1.147 1.00 0.30 C ATOM 398 C LEU A 26 -9.125 -3.149 0.207 1.00 0.25 C ATOM 399 O LEU A 26 -8.598 -3.932 0.997 1.00 0.35 O ATOM 400 CB LEU A 26 -7.429 -3.931 -1.472 1.00 0.43 C ATOM 401 CG LEU A 26 -7.172 -4.289 -2.950 1.00 0.86 C ATOM 402 CD1 LEU A 26 -6.702 -5.732 -3.059 1.00 1.45 C ATOM 403 CD2 LEU A 26 -8.392 -4.063 -3.832 1.00 1.65 C ATOM 0 H LEU A 26 -8.051 -1.047 -0.224 1.00 0.29 H new ATOM 0 HA LEU A 26 -9.247 -2.888 -1.928 1.00 0.30 H new ATOM 0 HB2 LEU A 26 -6.483 -3.601 -1.042 1.00 0.43 H new ATOM 0 HB3 LEU A 26 -7.713 -4.847 -0.954 1.00 0.43 H new ATOM 0 HG LEU A 26 -6.393 -3.618 -3.313 1.00 0.86 H new ATOM 0 HD11 LEU A 26 -6.522 -5.978 -4.106 1.00 1.45 H new ATOM 0 HD12 LEU A 26 -5.779 -5.858 -2.493 1.00 1.45 H new ATOM 0 HD13 LEU A 26 -7.468 -6.395 -2.657 1.00 1.45 H new ATOM 0 HD21 LEU A 26 -8.152 -4.332 -4.861 1.00 1.65 H new ATOM 0 HD22 LEU A 26 -9.216 -4.682 -3.478 1.00 1.65 H new ATOM 0 HD23 LEU A 26 -8.682 -3.013 -3.790 1.00 1.65 H new ATOM 415 N VAL A 27 -10.237 -2.473 0.493 1.00 0.22 N ATOM 416 CA VAL A 27 -10.903 -2.630 1.778 1.00 0.23 C ATOM 417 C VAL A 27 -12.425 -2.749 1.629 1.00 0.22 C ATOM 418 O VAL A 27 -13.169 -2.108 2.360 1.00 0.33 O ATOM 419 CB VAL A 27 -10.607 -1.431 2.682 1.00 0.30 C ATOM 420 CG1 VAL A 27 -11.178 -1.651 4.073 1.00 0.39 C ATOM 421 CG2 VAL A 27 -9.110 -1.161 2.745 1.00 0.41 C ATOM 0 H VAL A 27 -10.690 -1.818 -0.144 1.00 0.22 H new ATOM 0 HA VAL A 27 -10.517 -3.550 2.218 1.00 0.23 H new ATOM 0 HB VAL A 27 -11.091 -0.553 2.254 1.00 0.30 H new ATOM 0 HG11 VAL A 27 -10.956 -0.786 4.698 1.00 0.39 H new ATOM 0 HG12 VAL A 27 -12.258 -1.783 4.006 1.00 0.39 H new ATOM 0 HG13 VAL A 27 -10.730 -2.542 4.513 1.00 0.39 H new ATOM 0 HG21 VAL A 27 -8.922 -0.305 3.393 1.00 0.41 H new ATOM 0 HG22 VAL A 27 -8.599 -2.037 3.144 1.00 0.41 H new ATOM 0 HG23 VAL A 27 -8.736 -0.947 1.744 1.00 0.41 H new ATOM 431 N ARG A 28 -12.886 -3.522 0.651 1.00 0.17 N ATOM 432 CA ARG A 28 -14.324 -3.637 0.379 1.00 0.23 C ATOM 433 C ARG A 28 -14.847 -5.049 0.237 1.00 0.29 C ATOM 434 O ARG A 28 -15.928 -5.382 0.723 1.00 0.51 O ATOM 435 CB ARG A 28 -14.637 -2.920 -0.923 1.00 0.30 C ATOM 436 CG ARG A 28 -13.453 -2.675 -1.850 1.00 0.32 C ATOM 437 CD ARG A 28 -12.934 -3.937 -2.516 1.00 0.44 C ATOM 438 NE ARG A 28 -11.623 -4.339 -2.015 1.00 0.66 N ATOM 439 CZ ARG A 28 -11.018 -5.478 -2.336 1.00 0.88 C ATOM 440 NH1 ARG A 28 -11.536 -6.284 -3.239 1.00 0.60 N ATOM 441 NH2 ARG A 28 -9.875 -5.794 -1.760 1.00 1.56 N ATOM 0 H ARG A 28 -12.293 -4.077 0.034 1.00 0.17 H new ATOM 0 HA ARG A 28 -14.811 -3.201 1.251 1.00 0.23 H new ATOM 0 HB2 ARG A 28 -15.383 -3.501 -1.465 1.00 0.30 H new ATOM 0 HB3 ARG A 28 -15.092 -1.959 -0.685 1.00 0.30 H new ATOM 0 HG2 ARG A 28 -13.746 -1.962 -2.620 1.00 0.32 H new ATOM 0 HG3 ARG A 28 -12.645 -2.215 -1.281 1.00 0.32 H new ATOM 0 HD2 ARG A 28 -13.645 -4.747 -2.354 1.00 0.44 H new ATOM 0 HD3 ARG A 28 -12.874 -3.777 -3.592 1.00 0.44 H new ATOM 0 HE ARG A 28 -11.141 -3.705 -1.378 1.00 0.66 H new ATOM 0 HH11 ARG A 28 -12.411 -6.037 -3.701 1.00 0.60 H new ATOM 0 HH12 ARG A 28 -11.062 -7.155 -3.477 1.00 0.60 H new ATOM 0 HH21 ARG A 28 -9.460 -5.166 -1.072 1.00 1.56 H new ATOM 0 HH22 ARG A 28 -9.406 -6.667 -2.002 1.00 1.56 H new ATOM 455 N TRP A 29 -14.084 -5.857 -0.454 1.00 0.30 N ATOM 456 CA TRP A 29 -14.453 -7.207 -0.699 1.00 0.36 C ATOM 457 C TRP A 29 -14.932 -7.926 0.572 1.00 0.37 C ATOM 458 O TRP A 29 -16.126 -7.966 0.867 1.00 0.52 O ATOM 459 CB TRP A 29 -13.313 -7.939 -1.447 1.00 0.44 C ATOM 460 CG TRP A 29 -11.910 -7.898 -0.847 1.00 0.43 C ATOM 461 CD1 TRP A 29 -10.851 -8.648 -1.288 1.00 0.58 C ATOM 462 CD2 TRP A 29 -11.388 -7.110 0.261 1.00 0.37 C ATOM 463 NE1 TRP A 29 -9.739 -8.408 -0.521 1.00 0.60 N ATOM 464 CE2 TRP A 29 -10.035 -7.475 0.416 1.00 0.45 C ATOM 465 CE3 TRP A 29 -11.911 -6.150 1.147 1.00 0.42 C ATOM 466 CZ2 TRP A 29 -9.220 -6.930 1.386 1.00 0.45 C ATOM 467 CZ3 TRP A 29 -11.097 -5.617 2.107 1.00 0.47 C ATOM 468 CH2 TRP A 29 -9.761 -6.008 2.219 1.00 0.44 C ATOM 0 H TRP A 29 -13.188 -5.586 -0.859 1.00 0.30 H new ATOM 0 HA TRP A 29 -15.323 -7.219 -1.355 1.00 0.36 H new ATOM 0 HB2 TRP A 29 -13.601 -8.985 -1.549 1.00 0.44 H new ATOM 0 HB3 TRP A 29 -13.256 -7.525 -2.454 1.00 0.44 H new ATOM 0 HD1 TRP A 29 -10.887 -9.332 -2.123 1.00 0.58 H new ATOM 0 HE1 TRP A 29 -8.832 -8.861 -0.638 1.00 0.60 H new ATOM 0 HE3 TRP A 29 -12.942 -5.838 1.069 1.00 0.42 H new ATOM 0 HZ2 TRP A 29 -8.186 -7.228 1.479 1.00 0.45 H new ATOM 0 HZ3 TRP A 29 -11.494 -4.881 2.791 1.00 0.47 H new ATOM 0 HH2 TRP A 29 -9.145 -5.565 2.987 1.00 0.44 H new ATOM 479 N LYS A 30 -13.995 -8.486 1.297 1.00 0.35 N ATOM 480 CA LYS A 30 -14.277 -9.207 2.521 1.00 0.43 C ATOM 481 C LYS A 30 -14.357 -8.230 3.699 1.00 0.45 C ATOM 482 O LYS A 30 -15.396 -7.614 3.932 1.00 0.84 O ATOM 483 CB LYS A 30 -13.224 -10.296 2.757 1.00 0.52 C ATOM 484 CG LYS A 30 -13.246 -11.397 1.709 1.00 1.24 C ATOM 485 CD LYS A 30 -12.177 -12.443 1.979 1.00 1.88 C ATOM 486 CE LYS A 30 -12.189 -13.537 0.924 1.00 2.53 C ATOM 487 NZ LYS A 30 -11.132 -14.556 1.170 1.00 3.39 N ATOM 0 H LYS A 30 -13.005 -8.456 1.055 1.00 0.35 H new ATOM 0 HA LYS A 30 -15.244 -9.702 2.431 1.00 0.43 H new ATOM 0 HB2 LYS A 30 -12.235 -9.838 2.770 1.00 0.52 H new ATOM 0 HB3 LYS A 30 -13.384 -10.738 3.740 1.00 0.52 H new ATOM 0 HG2 LYS A 30 -14.227 -11.872 1.699 1.00 1.24 H new ATOM 0 HG3 LYS A 30 -13.091 -10.964 0.721 1.00 1.24 H new ATOM 0 HD2 LYS A 30 -11.197 -11.966 1.999 1.00 1.88 H new ATOM 0 HD3 LYS A 30 -12.338 -12.883 2.963 1.00 1.88 H new ATOM 0 HE2 LYS A 30 -13.165 -14.022 0.914 1.00 2.53 H new ATOM 0 HE3 LYS A 30 -12.044 -13.093 -0.061 1.00 2.53 H new ATOM 0 HZ1 LYS A 30 -11.173 -15.285 0.429 1.00 3.39 H new ATOM 0 HZ2 LYS A 30 -10.198 -14.098 1.154 1.00 3.39 H new ATOM 0 HZ3 LYS A 30 -11.285 -14.998 2.099 1.00 3.39 H new ATOM 501 N ASP A 31 -13.237 -8.070 4.414 1.00 0.56 N ATOM 502 CA ASP A 31 -13.151 -7.151 5.542 1.00 0.58 C ATOM 503 C ASP A 31 -14.382 -7.235 6.445 1.00 0.89 C ATOM 504 O ASP A 31 -15.237 -8.104 6.282 1.00 1.45 O ATOM 505 CB ASP A 31 -12.965 -5.720 5.029 1.00 0.73 C ATOM 506 CG ASP A 31 -14.112 -5.265 4.149 1.00 1.49 C ATOM 507 OD1 ASP A 31 -15.260 -5.237 4.639 1.00 2.01 O ATOM 508 OD2 ASP A 31 -13.861 -4.936 2.971 1.00 2.14 O ATOM 0 H ASP A 31 -12.371 -8.574 4.223 1.00 0.56 H new ATOM 0 HA ASP A 31 -12.289 -7.440 6.144 1.00 0.58 H new ATOM 0 HB2 ASP A 31 -12.872 -5.043 5.878 1.00 0.73 H new ATOM 0 HB3 ASP A 31 -12.033 -5.657 4.467 1.00 0.73 H new ATOM 513 N GLY A 32 -14.447 -6.318 7.401 1.00 1.01 N ATOM 514 CA GLY A 32 -15.555 -6.271 8.334 1.00 1.34 C ATOM 515 C GLY A 32 -15.210 -5.439 9.550 1.00 1.55 C ATOM 516 O GLY A 32 -15.831 -4.407 9.806 1.00 1.78 O ATOM 0 H GLY A 32 -13.741 -5.596 7.548 1.00 1.01 H new ATOM 0 HA2 GLY A 32 -16.432 -5.853 7.840 1.00 1.34 H new ATOM 0 HA3 GLY A 32 -15.816 -7.283 8.644 1.00 1.34 H new ATOM 520 N GLY A 33 -14.197 -5.883 10.285 1.00 1.72 N ATOM 521 CA GLY A 33 -13.758 -5.158 11.460 1.00 2.06 C ATOM 522 C GLY A 33 -12.701 -4.127 11.117 1.00 1.90 C ATOM 523 O GLY A 33 -12.770 -2.980 11.558 1.00 2.08 O ATOM 0 H GLY A 33 -13.671 -6.734 10.087 1.00 1.72 H new ATOM 0 HA2 GLY A 33 -14.612 -4.664 11.924 1.00 2.06 H new ATOM 0 HA3 GLY A 33 -13.359 -5.859 12.193 1.00 2.06 H new ATOM 527 N ASP A 34 -11.715 -4.549 10.327 1.00 1.71 N ATOM 528 CA ASP A 34 -10.624 -3.672 9.916 1.00 1.59 C ATOM 529 C ASP A 34 -10.424 -3.734 8.403 1.00 1.24 C ATOM 530 O ASP A 34 -11.252 -4.289 7.679 1.00 1.42 O ATOM 531 CB ASP A 34 -9.328 -4.078 10.625 1.00 1.74 C ATOM 532 CG ASP A 34 -9.459 -4.063 12.136 1.00 2.18 C ATOM 533 OD1 ASP A 34 -10.548 -3.713 12.635 1.00 2.53 O ATOM 534 OD2 ASP A 34 -8.470 -4.398 12.820 1.00 2.74 O ATOM 0 H ASP A 34 -11.651 -5.498 9.958 1.00 1.71 H new ATOM 0 HA ASP A 34 -10.882 -2.650 10.193 1.00 1.59 H new ATOM 0 HB2 ASP A 34 -9.038 -5.077 10.299 1.00 1.74 H new ATOM 0 HB3 ASP A 34 -8.528 -3.401 10.327 1.00 1.74 H new ATOM 539 N CYS A 35 -9.314 -3.171 7.932 1.00 1.02 N ATOM 540 CA CYS A 35 -8.993 -3.171 6.509 1.00 0.90 C ATOM 541 C CYS A 35 -8.067 -4.338 6.177 1.00 0.76 C ATOM 542 O CYS A 35 -7.283 -4.778 7.019 1.00 0.96 O ATOM 543 CB CYS A 35 -8.331 -1.848 6.116 1.00 1.24 C ATOM 544 SG CYS A 35 -9.270 -0.377 6.595 1.00 1.85 S ATOM 0 H CYS A 35 -8.620 -2.708 8.518 1.00 1.02 H new ATOM 0 HA CYS A 35 -9.918 -3.284 5.943 1.00 0.90 H new ATOM 0 HB2 CYS A 35 -7.343 -1.799 6.573 1.00 1.24 H new ATOM 0 HB3 CYS A 35 -8.183 -1.835 5.036 1.00 1.24 H new ATOM 0 HG CYS A 35 -8.627 0.689 6.221 1.00 1.85 H new ATOM 550 N GLU A 36 -8.170 -4.845 4.956 1.00 0.54 N ATOM 551 CA GLU A 36 -7.340 -5.980 4.533 1.00 0.50 C ATOM 552 C GLU A 36 -6.708 -5.771 3.157 1.00 0.41 C ATOM 553 O GLU A 36 -6.349 -6.747 2.500 1.00 0.54 O ATOM 554 CB GLU A 36 -8.152 -7.291 4.482 1.00 0.53 C ATOM 555 CG GLU A 36 -9.560 -7.206 5.053 1.00 0.65 C ATOM 556 CD GLU A 36 -9.599 -7.379 6.562 1.00 1.34 C ATOM 557 OE1 GLU A 36 -8.933 -6.596 7.270 1.00 2.09 O ATOM 558 OE2 GLU A 36 -10.298 -8.298 7.033 1.00 1.76 O ATOM 0 H GLU A 36 -8.811 -4.497 4.243 1.00 0.54 H new ATOM 0 HA GLU A 36 -6.552 -6.050 5.283 1.00 0.50 H new ATOM 0 HB2 GLU A 36 -8.218 -7.618 3.444 1.00 0.53 H new ATOM 0 HB3 GLU A 36 -7.603 -8.060 5.025 1.00 0.53 H new ATOM 0 HG2 GLU A 36 -9.995 -6.241 4.792 1.00 0.65 H new ATOM 0 HG3 GLU A 36 -10.182 -7.972 4.589 1.00 0.65 H new ATOM 565 N TRP A 37 -6.552 -4.530 2.711 1.00 0.43 N ATOM 566 CA TRP A 37 -5.940 -4.309 1.403 1.00 0.45 C ATOM 567 C TRP A 37 -4.582 -4.995 1.312 1.00 0.52 C ATOM 568 O TRP A 37 -4.185 -5.721 2.223 1.00 0.93 O ATOM 569 CB TRP A 37 -5.798 -2.852 1.060 1.00 0.82 C ATOM 570 CG TRP A 37 -5.558 -1.917 2.163 1.00 0.51 C ATOM 571 CD1 TRP A 37 -5.817 -0.624 2.046 1.00 0.78 C ATOM 572 CD2 TRP A 37 -5.037 -2.134 3.480 1.00 0.85 C ATOM 573 NE1 TRP A 37 -5.513 0.037 3.212 1.00 1.38 N ATOM 574 CE2 TRP A 37 -5.028 -0.879 4.114 1.00 1.36 C ATOM 575 CE3 TRP A 37 -4.585 -3.245 4.192 1.00 1.05 C ATOM 576 CZ2 TRP A 37 -4.584 -0.714 5.419 1.00 1.88 C ATOM 577 CZ3 TRP A 37 -4.144 -3.076 5.488 1.00 1.44 C ATOM 578 CH2 TRP A 37 -4.148 -1.818 6.092 1.00 1.83 C ATOM 0 H TRP A 37 -6.829 -3.687 3.214 1.00 0.43 H new ATOM 0 HA TRP A 37 -6.620 -4.750 0.674 1.00 0.45 H new ATOM 0 HB2 TRP A 37 -4.977 -2.752 0.350 1.00 0.82 H new ATOM 0 HB3 TRP A 37 -6.705 -2.538 0.544 1.00 0.82 H new ATOM 0 HD1 TRP A 37 -6.212 -0.154 1.158 1.00 0.78 H new ATOM 0 HE1 TRP A 37 -5.628 1.037 3.379 1.00 1.38 H new ATOM 0 HE3 TRP A 37 -4.580 -4.224 3.735 1.00 1.05 H new ATOM 0 HZ2 TRP A 37 -4.584 0.259 5.888 1.00 1.88 H new ATOM 0 HZ3 TRP A 37 -3.790 -3.931 6.044 1.00 1.44 H new ATOM 0 HH2 TRP A 37 -3.800 -1.717 7.109 1.00 1.83 H new ATOM 589 N VAL A 38 -3.867 -4.770 0.215 1.00 0.44 N ATOM 590 CA VAL A 38 -2.561 -5.383 0.045 1.00 0.55 C ATOM 591 C VAL A 38 -1.488 -4.335 -0.238 1.00 0.56 C ATOM 592 O VAL A 38 -0.559 -4.138 0.544 1.00 1.64 O ATOM 593 CB VAL A 38 -2.579 -6.416 -1.100 1.00 0.99 C ATOM 594 CG1 VAL A 38 -1.262 -7.173 -1.167 1.00 1.83 C ATOM 595 CG2 VAL A 38 -3.746 -7.377 -0.932 1.00 1.37 C ATOM 0 H VAL A 38 -4.167 -4.176 -0.558 1.00 0.44 H new ATOM 0 HA VAL A 38 -2.321 -5.889 0.980 1.00 0.55 H new ATOM 0 HB VAL A 38 -2.708 -5.881 -2.041 1.00 0.99 H new ATOM 0 HG11 VAL A 38 -1.299 -7.896 -1.982 1.00 1.83 H new ATOM 0 HG12 VAL A 38 -0.447 -6.471 -1.341 1.00 1.83 H new ATOM 0 HG13 VAL A 38 -1.095 -7.696 -0.226 1.00 1.83 H new ATOM 0 HG21 VAL A 38 -3.743 -8.099 -1.749 1.00 1.37 H new ATOM 0 HG22 VAL A 38 -3.650 -7.903 0.018 1.00 1.37 H new ATOM 0 HG23 VAL A 38 -4.682 -6.818 -0.945 1.00 1.37 H new ATOM 605 N LYS A 39 -1.644 -3.673 -1.368 1.00 0.48 N ATOM 606 CA LYS A 39 -0.726 -2.630 -1.814 1.00 0.37 C ATOM 607 C LYS A 39 -1.427 -1.653 -2.751 1.00 0.42 C ATOM 608 O LYS A 39 -2.273 -2.034 -3.559 1.00 1.01 O ATOM 609 CB LYS A 39 0.504 -3.220 -2.520 1.00 0.93 C ATOM 610 CG LYS A 39 1.572 -3.764 -1.577 1.00 1.70 C ATOM 611 CD LYS A 39 1.451 -5.267 -1.367 1.00 2.26 C ATOM 612 CE LYS A 39 1.698 -6.041 -2.656 1.00 2.93 C ATOM 613 NZ LYS A 39 3.045 -5.756 -3.225 1.00 3.46 N ATOM 0 H LYS A 39 -2.417 -3.842 -2.012 1.00 0.48 H new ATOM 0 HA LYS A 39 -0.392 -2.099 -0.923 1.00 0.37 H new ATOM 0 HB2 LYS A 39 0.178 -4.023 -3.181 1.00 0.93 H new ATOM 0 HB3 LYS A 39 0.950 -2.450 -3.149 1.00 0.93 H new ATOM 0 HG2 LYS A 39 2.559 -3.535 -1.979 1.00 1.70 H new ATOM 0 HG3 LYS A 39 1.495 -3.258 -0.615 1.00 1.70 H new ATOM 0 HD2 LYS A 39 2.166 -5.587 -0.609 1.00 2.26 H new ATOM 0 HD3 LYS A 39 0.457 -5.502 -0.987 1.00 2.26 H new ATOM 0 HE2 LYS A 39 1.605 -7.109 -2.462 1.00 2.93 H new ATOM 0 HE3 LYS A 39 0.933 -5.782 -3.387 1.00 2.93 H new ATOM 0 HZ1 LYS A 39 3.278 -6.473 -3.942 1.00 3.46 H new ATOM 0 HZ2 LYS A 39 3.044 -4.814 -3.665 1.00 3.46 H new ATOM 0 HZ3 LYS A 39 3.755 -5.782 -2.466 1.00 3.46 H new ATOM 627 N GLY A 40 -1.050 -0.385 -2.624 1.00 0.34 N ATOM 628 CA GLY A 40 -1.627 0.646 -3.450 1.00 0.25 C ATOM 629 C GLY A 40 -0.988 0.690 -4.817 1.00 0.40 C ATOM 630 O GLY A 40 -1.672 0.630 -5.837 1.00 0.49 O ATOM 0 H GLY A 40 -0.351 -0.057 -1.958 1.00 0.34 H new ATOM 0 HA2 GLY A 40 -2.698 0.472 -3.554 1.00 0.25 H new ATOM 0 HA3 GLY A 40 -1.508 1.613 -2.961 1.00 0.25 H new ATOM 634 N VAL A 41 0.340 0.791 -4.834 1.00 0.54 N ATOM 635 CA VAL A 41 1.097 0.838 -6.083 1.00 0.73 C ATOM 636 C VAL A 41 0.561 -0.183 -7.074 1.00 0.78 C ATOM 637 O VAL A 41 0.457 0.081 -8.272 1.00 0.95 O ATOM 638 CB VAL A 41 2.593 0.563 -5.844 1.00 0.90 C ATOM 639 CG1 VAL A 41 2.786 -0.818 -5.236 1.00 1.46 C ATOM 640 CG2 VAL A 41 3.374 0.695 -7.141 1.00 1.53 C ATOM 0 H VAL A 41 0.915 0.842 -3.993 1.00 0.54 H new ATOM 0 HA VAL A 41 0.982 1.842 -6.491 1.00 0.73 H new ATOM 0 HB VAL A 41 2.975 1.304 -5.142 1.00 0.90 H new ATOM 0 HG11 VAL A 41 3.848 -0.998 -5.073 1.00 1.46 H new ATOM 0 HG12 VAL A 41 2.258 -0.873 -4.284 1.00 1.46 H new ATOM 0 HG13 VAL A 41 2.390 -1.573 -5.915 1.00 1.46 H new ATOM 0 HG21 VAL A 41 4.429 0.497 -6.952 1.00 1.53 H new ATOM 0 HG22 VAL A 41 2.995 -0.023 -7.869 1.00 1.53 H new ATOM 0 HG23 VAL A 41 3.259 1.705 -7.534 1.00 1.53 H new ATOM 650 N HIS A 42 0.195 -1.346 -6.550 1.00 0.68 N ATOM 651 CA HIS A 42 -0.359 -2.407 -7.354 1.00 0.76 C ATOM 652 C HIS A 42 -1.846 -2.137 -7.594 1.00 0.71 C ATOM 653 O HIS A 42 -2.361 -2.370 -8.688 1.00 0.84 O ATOM 654 CB HIS A 42 -0.109 -3.747 -6.644 1.00 0.78 C ATOM 655 CG HIS A 42 -1.155 -4.791 -6.861 1.00 1.62 C ATOM 656 ND1 HIS A 42 -1.343 -5.457 -8.053 1.00 2.42 N ATOM 657 CD2 HIS A 42 -2.088 -5.258 -6.014 1.00 2.23 C ATOM 658 CE1 HIS A 42 -2.355 -6.298 -7.925 1.00 3.43 C ATOM 659 NE2 HIS A 42 -2.825 -6.197 -6.694 1.00 3.33 N ATOM 0 H HIS A 42 0.277 -1.571 -5.559 1.00 0.68 H new ATOM 0 HA HIS A 42 0.122 -2.453 -8.331 1.00 0.76 H new ATOM 0 HB2 HIS A 42 0.850 -4.143 -6.978 1.00 0.78 H new ATOM 0 HB3 HIS A 42 -0.022 -3.561 -5.574 1.00 0.78 H new ATOM 0 HD2 HIS A 42 -2.232 -4.952 -4.988 1.00 2.23 H new ATOM 0 HE1 HIS A 42 -2.733 -6.955 -8.694 1.00 3.43 H new ATOM 0 HE2 HIS A 42 -3.607 -6.729 -6.312 1.00 3.33 H new ATOM 668 N VAL A 43 -2.527 -1.639 -6.562 1.00 0.57 N ATOM 669 CA VAL A 43 -3.948 -1.333 -6.671 1.00 0.58 C ATOM 670 C VAL A 43 -4.183 0.148 -6.964 1.00 0.56 C ATOM 671 O VAL A 43 -5.155 0.733 -6.488 1.00 0.55 O ATOM 672 CB VAL A 43 -4.731 -1.722 -5.397 1.00 0.53 C ATOM 673 CG1 VAL A 43 -6.222 -1.573 -5.650 1.00 0.62 C ATOM 674 CG2 VAL A 43 -4.395 -3.146 -4.978 1.00 0.56 C ATOM 0 H VAL A 43 -2.119 -1.441 -5.648 1.00 0.57 H new ATOM 0 HA VAL A 43 -4.318 -1.931 -7.504 1.00 0.58 H new ATOM 0 HB VAL A 43 -4.443 -1.056 -4.584 1.00 0.53 H new ATOM 0 HG11 VAL A 43 -6.773 -1.848 -4.751 1.00 0.62 H new ATOM 0 HG12 VAL A 43 -6.445 -0.538 -5.910 1.00 0.62 H new ATOM 0 HG13 VAL A 43 -6.519 -2.226 -6.471 1.00 0.62 H new ATOM 0 HG21 VAL A 43 -4.956 -3.403 -4.079 1.00 0.56 H new ATOM 0 HG22 VAL A 43 -4.661 -3.834 -5.781 1.00 0.56 H new ATOM 0 HG23 VAL A 43 -3.327 -3.223 -4.774 1.00 0.56 H new ATOM 684 N ALA A 44 -3.301 0.749 -7.762 1.00 0.62 N ATOM 685 CA ALA A 44 -3.442 2.157 -8.119 1.00 0.63 C ATOM 686 C ALA A 44 -3.452 3.042 -6.881 1.00 0.50 C ATOM 687 O ALA A 44 -4.473 3.640 -6.541 1.00 0.51 O ATOM 688 CB ALA A 44 -4.713 2.358 -8.927 1.00 0.75 C ATOM 0 H ALA A 44 -2.489 0.286 -8.170 1.00 0.62 H new ATOM 0 HA ALA A 44 -2.583 2.446 -8.725 1.00 0.63 H new ATOM 0 HB1 ALA A 44 -4.814 3.411 -9.191 1.00 0.75 H new ATOM 0 HB2 ALA A 44 -4.665 1.759 -9.836 1.00 0.75 H new ATOM 0 HB3 ALA A 44 -5.574 2.049 -8.334 1.00 0.75 H new ATOM 694 N GLU A 45 -2.313 3.115 -6.197 1.00 0.46 N ATOM 695 CA GLU A 45 -2.210 3.921 -4.985 1.00 0.37 C ATOM 696 C GLU A 45 -2.621 5.370 -5.230 1.00 0.35 C ATOM 697 O GLU A 45 -3.423 5.931 -4.484 1.00 0.39 O ATOM 698 CB GLU A 45 -0.788 3.900 -4.420 1.00 0.48 C ATOM 699 CG GLU A 45 -0.593 4.818 -3.224 1.00 0.57 C ATOM 700 CD GLU A 45 0.859 4.932 -2.804 1.00 0.76 C ATOM 701 OE1 GLU A 45 1.459 3.893 -2.456 1.00 1.21 O ATOM 702 OE2 GLU A 45 1.397 6.059 -2.823 1.00 1.28 O ATOM 0 H GLU A 45 -1.455 2.630 -6.459 1.00 0.46 H new ATOM 0 HA GLU A 45 -2.894 3.476 -4.263 1.00 0.37 H new ATOM 0 HB2 GLU A 45 -0.537 2.880 -4.129 1.00 0.48 H new ATOM 0 HB3 GLU A 45 -0.090 4.188 -5.206 1.00 0.48 H new ATOM 0 HG2 GLU A 45 -0.976 5.809 -3.466 1.00 0.57 H new ATOM 0 HG3 GLU A 45 -1.181 4.445 -2.385 1.00 0.57 H new ATOM 709 N ASP A 46 -2.044 5.981 -6.261 1.00 0.38 N ATOM 710 CA ASP A 46 -2.328 7.379 -6.574 1.00 0.43 C ATOM 711 C ASP A 46 -3.589 7.549 -7.420 1.00 0.45 C ATOM 712 O ASP A 46 -3.795 8.603 -8.023 1.00 0.67 O ATOM 713 CB ASP A 46 -1.131 8.008 -7.291 1.00 0.57 C ATOM 714 CG ASP A 46 -1.322 9.490 -7.550 1.00 1.40 C ATOM 715 OD1 ASP A 46 -1.489 10.246 -6.572 1.00 2.07 O ATOM 716 OD2 ASP A 46 -1.302 9.893 -8.732 1.00 2.14 O ATOM 0 H ASP A 46 -1.380 5.533 -6.892 1.00 0.38 H new ATOM 0 HA ASP A 46 -2.505 7.889 -5.627 1.00 0.43 H new ATOM 0 HB2 ASP A 46 -0.233 7.860 -6.691 1.00 0.57 H new ATOM 0 HB3 ASP A 46 -0.969 7.495 -8.239 1.00 0.57 H new ATOM 721 N VAL A 47 -4.440 6.533 -7.457 1.00 0.35 N ATOM 722 CA VAL A 47 -5.676 6.618 -8.221 1.00 0.41 C ATOM 723 C VAL A 47 -6.868 6.577 -7.289 1.00 0.41 C ATOM 724 O VAL A 47 -7.823 7.340 -7.443 1.00 0.51 O ATOM 725 CB VAL A 47 -5.784 5.468 -9.238 1.00 0.50 C ATOM 726 CG1 VAL A 47 -7.095 5.548 -10.007 1.00 0.59 C ATOM 727 CG2 VAL A 47 -4.598 5.490 -10.192 1.00 0.56 C ATOM 0 H VAL A 47 -4.299 5.647 -6.971 1.00 0.35 H new ATOM 0 HA VAL A 47 -5.666 7.562 -8.765 1.00 0.41 H new ATOM 0 HB VAL A 47 -5.770 4.525 -8.692 1.00 0.50 H new ATOM 0 HG11 VAL A 47 -7.149 4.725 -10.720 1.00 0.59 H new ATOM 0 HG12 VAL A 47 -7.930 5.480 -9.310 1.00 0.59 H new ATOM 0 HG13 VAL A 47 -7.145 6.496 -10.542 1.00 0.59 H new ATOM 0 HG21 VAL A 47 -4.689 4.671 -10.905 1.00 0.56 H new ATOM 0 HG22 VAL A 47 -4.581 6.438 -10.729 1.00 0.56 H new ATOM 0 HG23 VAL A 47 -3.673 5.377 -9.626 1.00 0.56 H new ATOM 737 N ALA A 48 -6.802 5.685 -6.316 1.00 0.38 N ATOM 738 CA ALA A 48 -7.868 5.542 -5.348 1.00 0.44 C ATOM 739 C ALA A 48 -7.668 6.483 -4.158 1.00 0.39 C ATOM 740 O ALA A 48 -8.579 6.677 -3.354 1.00 0.46 O ATOM 741 CB ALA A 48 -7.975 4.096 -4.908 1.00 0.52 C ATOM 0 H ALA A 48 -6.017 5.048 -6.178 1.00 0.38 H new ATOM 0 HA ALA A 48 -8.809 5.826 -5.819 1.00 0.44 H new ATOM 0 HB1 ALA A 48 -8.779 3.996 -4.179 1.00 0.52 H new ATOM 0 HB2 ALA A 48 -8.188 3.467 -5.773 1.00 0.52 H new ATOM 0 HB3 ALA A 48 -7.034 3.783 -4.455 1.00 0.52 H new ATOM 747 N LYS A 49 -6.480 7.082 -4.046 1.00 0.35 N ATOM 748 CA LYS A 49 -6.214 8.008 -2.951 1.00 0.41 C ATOM 749 C LYS A 49 -7.209 9.154 -2.986 1.00 0.43 C ATOM 750 O LYS A 49 -7.720 9.581 -1.957 1.00 0.59 O ATOM 751 CB LYS A 49 -4.776 8.545 -3.001 1.00 0.49 C ATOM 752 CG LYS A 49 -4.435 9.335 -4.256 1.00 1.19 C ATOM 753 CD LYS A 49 -3.237 10.249 -4.029 1.00 1.51 C ATOM 754 CE LYS A 49 -2.056 9.508 -3.414 1.00 1.95 C ATOM 755 NZ LYS A 49 -0.898 10.413 -3.173 1.00 2.65 N ATOM 0 H LYS A 49 -5.701 6.944 -4.690 1.00 0.35 H new ATOM 0 HA LYS A 49 -6.328 7.462 -2.014 1.00 0.41 H new ATOM 0 HB2 LYS A 49 -4.610 9.181 -2.132 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -4.086 7.705 -2.918 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -4.220 8.647 -5.074 1.00 1.19 H new ATOM 0 HG3 LYS A 49 -5.297 9.930 -4.558 1.00 1.19 H new ATOM 0 HD2 LYS A 49 -2.933 10.689 -4.979 1.00 1.51 H new ATOM 0 HD3 LYS A 49 -3.528 11.071 -3.375 1.00 1.51 H new ATOM 0 HE2 LYS A 49 -2.363 9.053 -2.472 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -1.752 8.697 -4.076 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -0.115 9.871 -2.754 1.00 2.65 H new ATOM 0 HZ2 LYS A 49 -0.588 10.828 -4.075 1.00 2.65 H new ATOM 0 HZ3 LYS A 49 -1.181 11.173 -2.521 1.00 2.65 H new ATOM 769 N ASP A 50 -7.491 9.638 -4.182 1.00 0.41 N ATOM 770 CA ASP A 50 -8.432 10.729 -4.363 1.00 0.50 C ATOM 771 C ASP A 50 -9.866 10.252 -4.188 1.00 0.51 C ATOM 772 O ASP A 50 -10.754 11.028 -3.833 1.00 0.68 O ATOM 773 CB ASP A 50 -8.239 11.354 -5.738 1.00 0.58 C ATOM 774 CG ASP A 50 -9.264 12.428 -6.043 1.00 1.27 C ATOM 775 OD1 ASP A 50 -9.318 13.427 -5.295 1.00 1.69 O ATOM 776 OD2 ASP A 50 -10.014 12.271 -7.030 1.00 1.96 O ATOM 0 H ASP A 50 -7.079 9.290 -5.048 1.00 0.41 H new ATOM 0 HA ASP A 50 -8.239 11.482 -3.599 1.00 0.50 H new ATOM 0 HB2 ASP A 50 -7.239 11.784 -5.800 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -8.298 10.575 -6.498 1.00 0.58 H new ATOM 781 N TYR A 51 -10.079 8.977 -4.453 1.00 0.51 N ATOM 782 CA TYR A 51 -11.395 8.376 -4.347 1.00 0.57 C ATOM 783 C TYR A 51 -11.990 8.471 -2.944 1.00 0.52 C ATOM 784 O TYR A 51 -13.097 8.975 -2.756 1.00 0.58 O ATOM 785 CB TYR A 51 -11.305 6.909 -4.702 1.00 0.66 C ATOM 786 CG TYR A 51 -12.619 6.180 -4.550 1.00 0.68 C ATOM 787 CD1 TYR A 51 -13.065 5.789 -3.291 1.00 0.72 C ATOM 788 CD2 TYR A 51 -13.432 5.921 -5.645 1.00 1.08 C ATOM 789 CE1 TYR A 51 -14.282 5.155 -3.135 1.00 0.78 C ATOM 790 CE2 TYR A 51 -14.651 5.289 -5.494 1.00 1.16 C ATOM 791 CZ TYR A 51 -15.072 4.910 -4.237 1.00 0.86 C ATOM 792 OH TYR A 51 -16.285 4.279 -4.083 1.00 0.99 O ATOM 0 H TYR A 51 -9.347 8.330 -4.747 1.00 0.51 H new ATOM 0 HA TYR A 51 -12.040 8.928 -5.030 1.00 0.57 H new ATOM 0 HB2 TYR A 51 -10.959 6.811 -5.731 1.00 0.66 H new ATOM 0 HB3 TYR A 51 -10.557 6.433 -4.068 1.00 0.66 H new ATOM 0 HD1 TYR A 51 -12.451 5.984 -2.424 1.00 0.72 H new ATOM 0 HD2 TYR A 51 -13.106 6.218 -6.631 1.00 1.08 H new ATOM 0 HE1 TYR A 51 -14.613 4.852 -2.153 1.00 0.78 H new ATOM 0 HE2 TYR A 51 -15.271 5.093 -6.356 1.00 1.16 H new ATOM 0 HH TYR A 51 -16.157 3.308 -4.127 1.00 0.99 H new ATOM 802 N GLU A 52 -11.272 7.914 -1.981 1.00 0.49 N ATOM 803 CA GLU A 52 -11.751 7.860 -0.603 1.00 0.58 C ATOM 804 C GLU A 52 -11.333 9.075 0.194 1.00 0.57 C ATOM 805 O GLU A 52 -12.178 9.770 0.758 1.00 0.66 O ATOM 806 CB GLU A 52 -11.259 6.570 0.047 1.00 0.78 C ATOM 807 CG GLU A 52 -11.582 6.430 1.533 1.00 1.39 C ATOM 808 CD GLU A 52 -10.506 6.996 2.448 1.00 2.19 C ATOM 809 OE1 GLU A 52 -10.335 8.230 2.486 1.00 2.76 O ATOM 810 OE2 GLU A 52 -9.832 6.194 3.128 1.00 2.81 O ATOM 0 H GLU A 52 -10.355 7.492 -2.126 1.00 0.49 H new ATOM 0 HA GLU A 52 -12.841 7.866 -0.614 1.00 0.58 H new ATOM 0 HB2 GLU A 52 -11.695 5.724 -0.485 1.00 0.78 H new ATOM 0 HB3 GLU A 52 -10.179 6.505 -0.082 1.00 0.78 H new ATOM 0 HG2 GLU A 52 -12.525 6.935 1.740 1.00 1.39 H new ATOM 0 HG3 GLU A 52 -11.727 5.375 1.767 1.00 1.39 H new ATOM 817 N ASP A 53 -10.026 9.321 0.238 1.00 0.57 N ATOM 818 CA ASP A 53 -9.455 10.462 0.966 1.00 0.66 C ATOM 819 C ASP A 53 -10.393 11.670 0.938 1.00 0.78 C ATOM 820 O ASP A 53 -10.565 12.365 1.939 1.00 0.99 O ATOM 821 CB ASP A 53 -8.115 10.840 0.345 1.00 0.69 C ATOM 822 CG ASP A 53 -7.306 11.773 1.225 1.00 1.27 C ATOM 823 OD1 ASP A 53 -6.990 11.384 2.370 1.00 2.12 O ATOM 824 OD2 ASP A 53 -6.988 12.892 0.770 1.00 1.61 O ATOM 0 H ASP A 53 -9.330 8.739 -0.228 1.00 0.57 H new ATOM 0 HA ASP A 53 -9.316 10.167 2.006 1.00 0.66 H new ATOM 0 HB2 ASP A 53 -7.538 9.935 0.155 1.00 0.69 H new ATOM 0 HB3 ASP A 53 -8.288 11.316 -0.620 1.00 0.69 H new ATOM 829 N GLY A 54 -11.020 11.887 -0.215 1.00 0.76 N ATOM 830 CA GLY A 54 -11.962 12.981 -0.358 1.00 0.99 C ATOM 831 C GLY A 54 -13.328 12.610 0.186 1.00 1.06 C ATOM 832 O GLY A 54 -13.926 13.362 0.955 1.00 1.27 O ATOM 0 H GLY A 54 -10.891 11.322 -1.055 1.00 0.76 H new ATOM 0 HA2 GLY A 54 -11.585 13.858 0.168 1.00 0.99 H new ATOM 0 HA3 GLY A 54 -12.049 13.253 -1.410 1.00 0.99 H new ATOM 836 N LEU A 55 -13.816 11.432 -0.204 1.00 0.96 N ATOM 837 CA LEU A 55 -15.110 10.942 0.255 1.00 1.08 C ATOM 838 C LEU A 55 -15.094 10.723 1.770 1.00 1.17 C ATOM 839 O LEU A 55 -15.371 11.647 2.534 1.00 1.46 O ATOM 840 CB LEU A 55 -15.483 9.649 -0.479 1.00 1.14 C ATOM 841 CG LEU A 55 -15.766 9.815 -1.973 1.00 1.50 C ATOM 842 CD1 LEU A 55 -16.102 8.473 -2.605 1.00 2.32 C ATOM 843 CD2 LEU A 55 -16.900 10.806 -2.191 1.00 2.04 C ATOM 0 H LEU A 55 -13.330 10.799 -0.839 1.00 0.96 H new ATOM 0 HA LEU A 55 -15.866 11.693 0.029 1.00 1.08 H new ATOM 0 HB2 LEU A 55 -14.672 8.931 -0.355 1.00 1.14 H new ATOM 0 HB3 LEU A 55 -16.364 9.219 -0.003 1.00 1.14 H new ATOM 0 HG LEU A 55 -14.869 10.205 -2.453 1.00 1.50 H new ATOM 0 HD11 LEU A 55 -16.300 8.611 -3.668 1.00 2.32 H new ATOM 0 HD12 LEU A 55 -15.262 7.791 -2.478 1.00 2.32 H new ATOM 0 HD13 LEU A 55 -16.985 8.055 -2.122 1.00 2.32 H new ATOM 0 HD21 LEU A 55 -17.089 10.913 -3.259 1.00 2.04 H new ATOM 0 HD22 LEU A 55 -17.801 10.442 -1.698 1.00 2.04 H new ATOM 0 HD23 LEU A 55 -16.623 11.774 -1.773 1.00 2.04 H new ATOM 855 N GLU A 56 -14.764 9.507 2.203 1.00 1.14 N ATOM 856 CA GLU A 56 -14.710 9.195 3.626 1.00 1.35 C ATOM 857 C GLU A 56 -13.465 9.808 4.264 1.00 1.40 C ATOM 858 O GLU A 56 -12.607 9.100 4.788 1.00 1.53 O ATOM 859 CB GLU A 56 -14.734 7.678 3.839 1.00 1.50 C ATOM 860 CG GLU A 56 -14.656 7.251 5.300 1.00 2.03 C ATOM 861 CD GLU A 56 -14.917 5.770 5.487 1.00 2.47 C ATOM 862 OE1 GLU A 56 -14.162 4.956 4.915 1.00 2.88 O ATOM 863 OE2 GLU A 56 -15.877 5.423 6.208 1.00 2.96 O ATOM 0 H GLU A 56 -14.531 8.726 1.590 1.00 1.14 H new ATOM 0 HA GLU A 56 -15.587 9.626 4.108 1.00 1.35 H new ATOM 0 HB2 GLU A 56 -15.648 7.276 3.403 1.00 1.50 H new ATOM 0 HB3 GLU A 56 -13.900 7.233 3.297 1.00 1.50 H new ATOM 0 HG2 GLU A 56 -13.670 7.495 5.694 1.00 2.03 H new ATOM 0 HG3 GLU A 56 -15.382 7.821 5.881 1.00 2.03 H new ATOM 870 N TYR A 57 -13.364 11.132 4.208 1.00 1.40 N ATOM 871 CA TYR A 57 -12.218 11.831 4.775 1.00 1.54 C ATOM 872 C TYR A 57 -12.118 11.579 6.277 1.00 1.86 C ATOM 873 O TYR A 57 -13.008 10.894 6.822 1.00 2.28 O ATOM 874 CB TYR A 57 -12.317 13.332 4.504 1.00 1.67 C ATOM 875 CG TYR A 57 -11.148 14.120 5.055 1.00 2.04 C ATOM 876 CD1 TYR A 57 -9.845 13.669 4.890 1.00 2.75 C ATOM 877 CD2 TYR A 57 -11.349 15.312 5.739 1.00 2.29 C ATOM 878 CE1 TYR A 57 -8.774 14.383 5.393 1.00 3.60 C ATOM 879 CE2 TYR A 57 -10.283 16.033 6.243 1.00 3.06 C ATOM 880 CZ TYR A 57 -8.998 15.564 6.067 1.00 3.70 C ATOM 881 OH TYR A 57 -7.935 16.278 6.570 1.00 4.67 O ATOM 882 OXT TYR A 57 -11.149 12.068 6.894 1.00 2.26 O ATOM 0 H TYR A 57 -14.060 11.740 3.777 1.00 1.40 H new ATOM 0 HA TYR A 57 -11.318 11.445 4.297 1.00 1.54 H new ATOM 0 HB2 TYR A 57 -12.382 13.496 3.428 1.00 1.67 H new ATOM 0 HB3 TYR A 57 -13.240 13.713 4.941 1.00 1.67 H new ATOM 0 HD1 TYR A 57 -9.666 12.745 4.360 1.00 2.75 H new ATOM 0 HD2 TYR A 57 -12.354 15.681 5.879 1.00 2.29 H new ATOM 0 HE1 TYR A 57 -7.767 14.017 5.259 1.00 3.60 H new ATOM 0 HE2 TYR A 57 -10.455 16.959 6.772 1.00 3.06 H new ATOM 0 HH TYR A 57 -8.265 17.086 7.016 1.00 4.67 H new TER 892 TYR A 57