USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 411 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 7 TYR OH : rot 14:sc= -6.46! USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= -1.53 (180deg=-4.87!) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= -0.019 (180deg=-0.165) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= -0.0144 (180deg=-0.187) USER MOD Single : A 25 TYR OH : rot 24:sc= -4.33! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -142:sc= -2.01 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -109:sc= 0.642 (180deg=-1.34) USER MOD Single : A 51 TYR OH : rot 8:sc= 0.952 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 38 N VAL A 4 -18.398 7.481 -0.882 1.00 1.80 N ATOM 39 CA VAL A 4 -18.511 7.607 0.586 1.00 1.52 C ATOM 40 C VAL A 4 -19.904 7.245 1.043 1.00 1.35 C ATOM 41 O VAL A 4 -20.148 6.498 1.987 1.00 1.75 O ATOM 42 CB VAL A 4 -18.196 9.074 0.947 1.00 1.48 C ATOM 43 CG1 VAL A 4 -19.408 10.013 1.017 1.00 2.08 C ATOM 44 CG2 VAL A 4 -17.389 9.168 2.226 1.00 1.97 C ATOM 0 HA VAL A 4 -17.816 6.929 1.081 1.00 1.52 H new ATOM 0 HB VAL A 4 -17.603 9.430 0.104 1.00 1.48 H new ATOM 0 HG11 VAL A 4 -19.075 11.018 1.278 1.00 2.08 H new ATOM 0 HG12 VAL A 4 -19.907 10.036 0.048 1.00 2.08 H new ATOM 0 HG13 VAL A 4 -20.104 9.653 1.775 1.00 2.08 H new ATOM 0 HG21 VAL A 4 -17.185 10.215 2.451 1.00 1.97 H new ATOM 0 HG22 VAL A 4 -17.954 8.724 3.046 1.00 1.97 H new ATOM 0 HG23 VAL A 4 -16.447 8.633 2.102 1.00 1.97 H new ATOM 54 N PHE A 5 -20.789 7.825 0.295 1.00 1.32 N ATOM 55 CA PHE A 5 -22.227 7.655 0.476 1.00 1.88 C ATOM 56 C PHE A 5 -22.585 6.171 0.420 1.00 1.68 C ATOM 57 O PHE A 5 -22.942 5.573 1.434 1.00 1.78 O ATOM 58 CB PHE A 5 -22.994 8.423 -0.600 1.00 2.50 C ATOM 59 CG PHE A 5 -24.485 8.277 -0.498 1.00 2.99 C ATOM 60 CD1 PHE A 5 -25.125 8.381 0.727 1.00 3.34 C ATOM 61 CD2 PHE A 5 -25.249 8.036 -1.629 1.00 3.37 C ATOM 62 CE1 PHE A 5 -26.497 8.246 0.823 1.00 4.01 C ATOM 63 CE2 PHE A 5 -26.622 7.902 -1.539 1.00 3.96 C ATOM 64 CZ PHE A 5 -27.247 8.006 -0.313 1.00 4.27 C ATOM 0 H PHE A 5 -20.545 8.445 -0.477 1.00 1.32 H new ATOM 0 HA PHE A 5 -22.508 8.053 1.451 1.00 1.88 H new ATOM 0 HB2 PHE A 5 -22.736 9.480 -0.533 1.00 2.50 H new ATOM 0 HB3 PHE A 5 -22.670 8.077 -1.582 1.00 2.50 H new ATOM 0 HD1 PHE A 5 -24.544 8.570 1.618 1.00 3.34 H new ATOM 0 HD2 PHE A 5 -24.766 7.952 -2.591 1.00 3.37 H new ATOM 0 HE1 PHE A 5 -26.983 8.328 1.784 1.00 4.01 H new ATOM 0 HE2 PHE A 5 -27.206 7.716 -2.428 1.00 3.96 H new ATOM 0 HZ PHE A 5 -28.319 7.900 -0.241 1.00 4.27 H new ATOM 74 N GLU A 6 -22.447 5.570 -0.762 1.00 1.60 N ATOM 75 CA GLU A 6 -22.717 4.145 -0.920 1.00 1.52 C ATOM 76 C GLU A 6 -21.663 3.371 -0.149 1.00 1.24 C ATOM 77 O GLU A 6 -21.953 2.732 0.862 1.00 1.24 O ATOM 78 CB GLU A 6 -22.698 3.752 -2.399 1.00 1.66 C ATOM 79 CG GLU A 6 -23.735 4.484 -3.237 1.00 2.10 C ATOM 80 CD GLU A 6 -25.153 4.223 -2.770 1.00 2.44 C ATOM 81 OE1 GLU A 6 -25.575 3.048 -2.781 1.00 2.84 O ATOM 82 OE2 GLU A 6 -25.842 5.194 -2.395 1.00 2.75 O ATOM 0 H GLU A 6 -22.152 6.044 -1.616 1.00 1.60 H new ATOM 0 HA GLU A 6 -23.708 3.912 -0.531 1.00 1.52 H new ATOM 0 HB2 GLU A 6 -21.707 3.952 -2.807 1.00 1.66 H new ATOM 0 HB3 GLU A 6 -22.867 2.678 -2.483 1.00 1.66 H new ATOM 0 HG2 GLU A 6 -23.536 5.555 -3.200 1.00 2.10 H new ATOM 0 HG3 GLU A 6 -23.637 4.177 -4.278 1.00 2.10 H new ATOM 89 N TYR A 7 -20.422 3.494 -0.603 1.00 1.11 N ATOM 90 CA TYR A 7 -19.296 2.878 0.065 1.00 0.94 C ATOM 91 C TYR A 7 -19.488 1.380 0.247 1.00 0.89 C ATOM 92 O TYR A 7 -19.128 0.826 1.286 1.00 1.24 O ATOM 93 CB TYR A 7 -19.141 3.558 1.418 1.00 1.04 C ATOM 94 CG TYR A 7 -17.728 3.918 1.778 1.00 0.98 C ATOM 95 CD1 TYR A 7 -16.673 3.093 1.420 1.00 0.85 C ATOM 96 CD2 TYR A 7 -17.448 5.098 2.441 1.00 1.26 C ATOM 97 CE1 TYR A 7 -15.365 3.450 1.706 1.00 1.02 C ATOM 98 CE2 TYR A 7 -16.154 5.457 2.745 1.00 1.37 C ATOM 99 CZ TYR A 7 -15.126 4.526 2.519 1.00 1.27 C ATOM 100 OH TYR A 7 -13.824 5.012 2.628 1.00 1.49 O ATOM 0 H TYR A 7 -20.175 4.022 -1.440 1.00 1.11 H new ATOM 0 HA TYR A 7 -18.401 3.003 -0.545 1.00 0.94 H new ATOM 0 HB2 TYR A 7 -19.746 4.464 1.426 1.00 1.04 H new ATOM 0 HB3 TYR A 7 -19.542 2.900 2.189 1.00 1.04 H new ATOM 0 HD1 TYR A 7 -16.873 2.161 0.912 1.00 0.85 H new ATOM 0 HD2 TYR A 7 -18.260 5.751 2.726 1.00 1.26 H new ATOM 0 HE1 TYR A 7 -14.542 2.886 1.292 1.00 1.02 H new ATOM 0 HE2 TYR A 7 -15.934 6.434 3.149 1.00 1.37 H new ATOM 0 HH TYR A 7 -13.272 4.632 1.913 1.00 1.49 H new ATOM 110 N ALA A 8 -20.050 0.720 -0.757 1.00 0.77 N ATOM 111 CA ALA A 8 -20.272 -0.713 -0.677 1.00 0.72 C ATOM 112 C ALA A 8 -19.522 -1.432 -1.775 1.00 0.62 C ATOM 113 O ALA A 8 -20.042 -2.356 -2.402 1.00 0.69 O ATOM 114 CB ALA A 8 -21.757 -1.035 -0.725 1.00 0.89 C ATOM 0 H ALA A 8 -20.357 1.152 -1.628 1.00 0.77 H new ATOM 0 HA ALA A 8 -19.886 -1.065 0.280 1.00 0.72 H new ATOM 0 HB1 ALA A 8 -21.897 -2.114 -0.664 1.00 0.89 H new ATOM 0 HB2 ALA A 8 -22.261 -0.555 0.114 1.00 0.89 H new ATOM 0 HB3 ALA A 8 -22.179 -0.667 -1.660 1.00 0.89 H new ATOM 120 N GLU A 9 -18.281 -1.016 -1.987 1.00 0.57 N ATOM 121 CA GLU A 9 -17.423 -1.610 -2.976 1.00 0.59 C ATOM 122 C GLU A 9 -17.480 -3.109 -2.851 1.00 0.51 C ATOM 123 O GLU A 9 -17.826 -3.826 -3.791 1.00 0.56 O ATOM 124 CB GLU A 9 -15.966 -1.185 -2.764 1.00 0.71 C ATOM 125 CG GLU A 9 -15.712 -0.144 -1.690 1.00 0.64 C ATOM 126 CD GLU A 9 -15.602 1.264 -2.249 1.00 0.75 C ATOM 127 OE1 GLU A 9 -15.736 1.434 -3.478 1.00 1.19 O ATOM 128 OE2 GLU A 9 -15.379 2.199 -1.453 1.00 1.28 O ATOM 0 H GLU A 9 -17.848 -0.251 -1.469 1.00 0.57 H new ATOM 0 HA GLU A 9 -17.764 -1.280 -3.957 1.00 0.59 H new ATOM 0 HB2 GLU A 9 -15.384 -2.074 -2.522 1.00 0.71 H new ATOM 0 HB3 GLU A 9 -15.582 -0.800 -3.709 1.00 0.71 H new ATOM 0 HG2 GLU A 9 -16.520 -0.178 -0.959 1.00 0.64 H new ATOM 0 HG3 GLU A 9 -14.793 -0.392 -1.160 1.00 0.64 H new ATOM 135 N VAL A 10 -17.126 -3.566 -1.651 1.00 0.43 N ATOM 136 CA VAL A 10 -17.118 -4.984 -1.339 1.00 0.42 C ATOM 137 C VAL A 10 -16.488 -5.735 -2.512 1.00 0.46 C ATOM 138 O VAL A 10 -16.970 -6.765 -2.978 1.00 0.53 O ATOM 139 CB VAL A 10 -18.557 -5.410 -1.065 1.00 0.52 C ATOM 140 CG1 VAL A 10 -18.745 -6.922 -1.098 1.00 0.94 C ATOM 141 CG2 VAL A 10 -19.021 -4.852 0.272 1.00 1.06 C ATOM 0 H VAL A 10 -16.840 -2.966 -0.878 1.00 0.43 H new ATOM 0 HA VAL A 10 -16.525 -5.212 -0.453 1.00 0.42 H new ATOM 0 HB VAL A 10 -19.168 -4.999 -1.869 1.00 0.52 H new ATOM 0 HG11 VAL A 10 -19.789 -7.163 -0.896 1.00 0.94 H new ATOM 0 HG12 VAL A 10 -18.468 -7.302 -2.082 1.00 0.94 H new ATOM 0 HG13 VAL A 10 -18.113 -7.384 -0.340 1.00 0.94 H new ATOM 0 HG21 VAL A 10 -20.049 -5.162 0.458 1.00 1.06 H new ATOM 0 HG22 VAL A 10 -18.378 -5.230 1.067 1.00 1.06 H new ATOM 0 HG23 VAL A 10 -18.968 -3.764 0.250 1.00 1.06 H new ATOM 151 N ASP A 11 -15.405 -5.133 -2.990 1.00 0.45 N ATOM 152 CA ASP A 11 -14.639 -5.620 -4.141 1.00 0.53 C ATOM 153 C ASP A 11 -13.823 -4.481 -4.787 1.00 0.54 C ATOM 154 O ASP A 11 -12.842 -4.744 -5.485 1.00 0.68 O ATOM 155 CB ASP A 11 -15.568 -6.246 -5.196 1.00 0.64 C ATOM 156 CG ASP A 11 -14.859 -6.571 -6.498 1.00 1.20 C ATOM 157 OD1 ASP A 11 -14.359 -5.632 -7.153 1.00 1.94 O ATOM 158 OD2 ASP A 11 -14.804 -7.764 -6.863 1.00 1.69 O ATOM 0 H ASP A 11 -15.025 -4.278 -2.585 1.00 0.45 H new ATOM 0 HA ASP A 11 -13.952 -6.383 -3.774 1.00 0.53 H new ATOM 0 HB2 ASP A 11 -16.006 -7.158 -4.790 1.00 0.64 H new ATOM 0 HB3 ASP A 11 -16.391 -5.561 -5.399 1.00 0.64 H new ATOM 163 N GLU A 12 -14.242 -3.218 -4.589 1.00 0.49 N ATOM 164 CA GLU A 12 -13.538 -2.074 -5.207 1.00 0.54 C ATOM 165 C GLU A 12 -13.036 -1.032 -4.193 1.00 0.50 C ATOM 166 O GLU A 12 -13.642 0.024 -4.057 1.00 0.60 O ATOM 167 CB GLU A 12 -14.482 -1.373 -6.171 1.00 0.64 C ATOM 168 CG GLU A 12 -15.168 -2.310 -7.151 1.00 1.27 C ATOM 169 CD GLU A 12 -16.077 -1.577 -8.119 1.00 1.74 C ATOM 170 OE1 GLU A 12 -15.575 -0.710 -8.864 1.00 2.23 O ATOM 171 OE2 GLU A 12 -17.291 -1.870 -8.129 1.00 2.26 O ATOM 0 H GLU A 12 -15.048 -2.964 -4.018 1.00 0.49 H new ATOM 0 HA GLU A 12 -12.664 -2.488 -5.710 1.00 0.54 H new ATOM 0 HB2 GLU A 12 -15.242 -0.842 -5.598 1.00 0.64 H new ATOM 0 HB3 GLU A 12 -13.923 -0.623 -6.731 1.00 0.64 H new ATOM 0 HG2 GLU A 12 -14.412 -2.859 -7.713 1.00 1.27 H new ATOM 0 HG3 GLU A 12 -15.751 -3.046 -6.597 1.00 1.27 H new ATOM 178 N ILE A 13 -11.924 -1.335 -3.510 1.00 0.42 N ATOM 179 CA ILE A 13 -11.297 -0.459 -2.505 1.00 0.38 C ATOM 180 C ILE A 13 -12.253 0.462 -1.725 1.00 0.39 C ATOM 181 O ILE A 13 -12.954 1.298 -2.283 1.00 0.52 O ATOM 182 CB ILE A 13 -10.176 0.403 -3.126 1.00 0.48 C ATOM 183 CG1 ILE A 13 -10.713 1.288 -4.262 1.00 1.00 C ATOM 184 CG2 ILE A 13 -9.061 -0.493 -3.630 1.00 0.95 C ATOM 185 CD1 ILE A 13 -11.015 0.541 -5.544 1.00 1.56 C ATOM 0 H ILE A 13 -11.423 -2.214 -3.642 1.00 0.42 H new ATOM 0 HA ILE A 13 -10.894 -1.165 -1.779 1.00 0.38 H new ATOM 0 HB ILE A 13 -9.784 1.064 -2.354 1.00 0.48 H new ATOM 0 HG12 ILE A 13 -11.622 1.784 -3.922 1.00 1.00 H new ATOM 0 HG13 ILE A 13 -9.983 2.070 -4.474 1.00 1.00 H new ATOM 0 HG21 ILE A 13 -8.272 0.119 -4.067 1.00 0.95 H new ATOM 0 HG22 ILE A 13 -8.654 -1.070 -2.799 1.00 0.95 H new ATOM 0 HG23 ILE A 13 -9.454 -1.173 -4.386 1.00 0.95 H new ATOM 0 HD11 ILE A 13 -11.389 1.239 -6.293 1.00 1.56 H new ATOM 0 HD12 ILE A 13 -10.105 0.067 -5.912 1.00 1.56 H new ATOM 0 HD13 ILE A 13 -11.769 -0.222 -5.351 1.00 1.56 H new ATOM 197 N VAL A 14 -12.218 0.322 -0.400 1.00 0.33 N ATOM 198 CA VAL A 14 -13.026 1.124 0.496 1.00 0.37 C ATOM 199 C VAL A 14 -12.141 2.048 1.307 1.00 0.37 C ATOM 200 O VAL A 14 -12.570 3.126 1.714 1.00 0.48 O ATOM 201 CB VAL A 14 -13.887 0.226 1.467 1.00 0.38 C ATOM 202 CG1 VAL A 14 -13.615 0.493 2.956 1.00 0.44 C ATOM 203 CG2 VAL A 14 -15.365 0.420 1.203 1.00 0.51 C ATOM 0 H VAL A 14 -11.623 -0.356 0.076 1.00 0.33 H new ATOM 0 HA VAL A 14 -13.711 1.712 -0.115 1.00 0.37 H new ATOM 0 HB VAL A 14 -13.588 -0.801 1.256 1.00 0.38 H new ATOM 0 HG11 VAL A 14 -14.242 -0.160 3.563 1.00 0.44 H new ATOM 0 HG12 VAL A 14 -12.566 0.295 3.175 1.00 0.44 H new ATOM 0 HG13 VAL A 14 -13.844 1.533 3.187 1.00 0.44 H new ATOM 0 HG21 VAL A 14 -15.941 -0.208 1.883 1.00 0.51 H new ATOM 0 HG22 VAL A 14 -15.629 1.465 1.363 1.00 0.51 H new ATOM 0 HG23 VAL A 14 -15.590 0.142 0.173 1.00 0.51 H new ATOM 213 N GLU A 15 -10.919 1.619 1.606 1.00 0.28 N ATOM 214 CA GLU A 15 -10.094 2.468 2.449 1.00 0.30 C ATOM 215 C GLU A 15 -8.660 2.650 1.979 1.00 0.31 C ATOM 216 O GLU A 15 -8.241 2.126 0.946 1.00 0.56 O ATOM 217 CB GLU A 15 -10.099 1.958 3.885 1.00 0.33 C ATOM 218 CG GLU A 15 -10.599 3.023 4.845 1.00 0.77 C ATOM 219 CD GLU A 15 -10.514 2.599 6.298 1.00 1.01 C ATOM 220 OE1 GLU A 15 -9.390 2.332 6.773 1.00 1.44 O ATOM 221 OE2 GLU A 15 -11.570 2.532 6.960 1.00 1.34 O ATOM 0 H GLU A 15 -10.499 0.742 1.298 1.00 0.28 H new ATOM 0 HA GLU A 15 -10.554 3.454 2.384 1.00 0.30 H new ATOM 0 HB2 GLU A 15 -10.732 1.074 3.957 1.00 0.33 H new ATOM 0 HB3 GLU A 15 -9.092 1.653 4.169 1.00 0.33 H new ATOM 0 HG2 GLU A 15 -10.017 3.934 4.704 1.00 0.77 H new ATOM 0 HG3 GLU A 15 -11.634 3.265 4.603 1.00 0.77 H new ATOM 228 N LYS A 16 -7.916 3.436 2.762 1.00 0.26 N ATOM 229 CA LYS A 16 -6.536 3.746 2.438 1.00 0.29 C ATOM 230 C LYS A 16 -5.811 4.456 3.594 1.00 0.47 C ATOM 231 O LYS A 16 -6.283 4.445 4.731 1.00 0.82 O ATOM 232 CB LYS A 16 -6.552 4.590 1.175 1.00 0.45 C ATOM 233 CG LYS A 16 -7.499 5.790 1.225 1.00 0.89 C ATOM 234 CD LYS A 16 -7.131 6.797 2.301 1.00 1.44 C ATOM 235 CE LYS A 16 -8.021 6.656 3.526 1.00 2.23 C ATOM 236 NZ LYS A 16 -7.713 7.683 4.559 1.00 3.04 N ATOM 0 H LYS A 16 -8.254 3.866 3.623 1.00 0.26 H new ATOM 0 HA LYS A 16 -5.975 2.826 2.274 1.00 0.29 H new ATOM 0 HB2 LYS A 16 -5.541 4.949 0.980 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -6.833 3.957 0.334 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -7.497 6.287 0.255 1.00 0.89 H new ATOM 0 HG3 LYS A 16 -8.515 5.436 1.400 1.00 0.89 H new ATOM 0 HD2 LYS A 16 -6.089 6.658 2.589 1.00 1.44 H new ATOM 0 HD3 LYS A 16 -7.219 7.807 1.901 1.00 1.44 H new ATOM 0 HE2 LYS A 16 -9.066 6.744 3.227 1.00 2.23 H new ATOM 0 HE3 LYS A 16 -7.894 5.662 3.954 1.00 2.23 H new ATOM 0 HZ1 LYS A 16 -7.280 7.225 5.386 1.00 3.04 H new ATOM 0 HZ2 LYS A 16 -7.052 8.383 4.166 1.00 3.04 H new ATOM 0 HZ3 LYS A 16 -8.591 8.160 4.847 1.00 3.04 H new ATOM 250 N ARG A 17 -4.657 5.062 3.297 1.00 0.44 N ATOM 251 CA ARG A 17 -3.870 5.769 4.306 1.00 0.63 C ATOM 252 C ARG A 17 -3.319 4.792 5.343 1.00 1.08 C ATOM 253 O ARG A 17 -3.525 4.962 6.545 1.00 1.89 O ATOM 254 CB ARG A 17 -4.725 6.838 4.993 1.00 1.24 C ATOM 255 CG ARG A 17 -3.921 8.007 5.536 1.00 2.28 C ATOM 256 CD ARG A 17 -2.967 7.577 6.638 1.00 3.13 C ATOM 257 NE ARG A 17 -2.208 8.709 7.173 1.00 3.73 N ATOM 258 CZ ARG A 17 -1.295 9.384 6.476 1.00 4.40 C ATOM 259 NH1 ARG A 17 -0.978 9.007 5.245 1.00 4.67 N ATOM 260 NH2 ARG A 17 -0.688 10.433 7.015 1.00 5.19 N ATOM 0 H ARG A 17 -4.248 5.076 2.363 1.00 0.44 H new ATOM 0 HA ARG A 17 -3.031 6.254 3.807 1.00 0.63 H new ATOM 0 HB2 ARG A 17 -5.461 7.214 4.282 1.00 1.24 H new ATOM 0 HB3 ARG A 17 -5.278 6.377 5.812 1.00 1.24 H new ATOM 0 HG2 ARG A 17 -3.355 8.466 4.725 1.00 2.28 H new ATOM 0 HG3 ARG A 17 -4.601 8.767 5.921 1.00 2.28 H new ATOM 0 HD2 ARG A 17 -3.530 7.105 7.443 1.00 3.13 H new ATOM 0 HD3 ARG A 17 -2.277 6.828 6.250 1.00 3.13 H new ATOM 0 HE ARG A 17 -2.389 8.997 8.135 1.00 3.73 H new ATOM 0 HH11 ARG A 17 -1.434 8.196 4.827 1.00 4.67 H new ATOM 0 HH12 ARG A 17 -0.278 9.528 4.716 1.00 4.67 H new ATOM 0 HH21 ARG A 17 -0.920 10.724 7.965 1.00 5.19 H new ATOM 0 HH22 ARG A 17 0.011 10.949 6.480 1.00 5.19 H new ATOM 274 N GLY A 18 -2.637 3.755 4.862 1.00 1.31 N ATOM 275 CA GLY A 18 -2.083 2.740 5.746 1.00 2.00 C ATOM 276 C GLY A 18 -1.016 3.256 6.696 1.00 2.22 C ATOM 277 O GLY A 18 -1.045 4.412 7.117 1.00 2.45 O ATOM 0 H GLY A 18 -2.457 3.598 3.870 1.00 1.31 H new ATOM 0 HA2 GLY A 18 -2.892 2.302 6.330 1.00 2.00 H new ATOM 0 HA3 GLY A 18 -1.658 1.940 5.140 1.00 2.00 H new ATOM 281 N LYS A 19 -0.078 2.374 7.038 1.00 2.48 N ATOM 282 CA LYS A 19 1.011 2.702 7.955 1.00 2.97 C ATOM 283 C LYS A 19 1.768 3.940 7.495 1.00 2.66 C ATOM 284 O LYS A 19 1.602 4.402 6.368 1.00 2.54 O ATOM 285 CB LYS A 19 1.988 1.530 8.060 1.00 3.46 C ATOM 286 CG LYS A 19 1.341 0.215 8.469 1.00 4.17 C ATOM 287 CD LYS A 19 2.326 -0.942 8.374 1.00 4.98 C ATOM 288 CE LYS A 19 1.670 -2.271 8.709 1.00 5.96 C ATOM 289 NZ LYS A 19 1.087 -2.277 10.079 1.00 6.54 N ATOM 0 H LYS A 19 -0.052 1.416 6.689 1.00 2.48 H new ATOM 0 HA LYS A 19 0.568 2.903 8.931 1.00 2.97 H new ATOM 0 HB2 LYS A 19 2.482 1.395 7.098 1.00 3.46 H new ATOM 0 HB3 LYS A 19 2.763 1.781 8.784 1.00 3.46 H new ATOM 0 HG2 LYS A 19 0.967 0.294 9.490 1.00 4.17 H new ATOM 0 HG3 LYS A 19 0.481 0.016 7.829 1.00 4.17 H new ATOM 0 HD2 LYS A 19 2.740 -0.985 7.367 1.00 4.98 H new ATOM 0 HD3 LYS A 19 3.159 -0.766 9.054 1.00 4.98 H new ATOM 0 HE2 LYS A 19 0.887 -2.482 7.981 1.00 5.96 H new ATOM 0 HE3 LYS A 19 2.407 -3.070 8.625 1.00 5.96 H new ATOM 0 HZ1 LYS A 19 0.802 -3.245 10.331 1.00 6.54 H new ATOM 0 HZ2 LYS A 19 1.796 -1.937 10.759 1.00 6.54 H new ATOM 0 HZ3 LYS A 19 0.255 -1.654 10.105 1.00 6.54 H new ATOM 303 N GLY A 20 2.610 4.464 8.378 1.00 2.95 N ATOM 304 CA GLY A 20 3.390 5.635 8.048 1.00 3.08 C ATOM 305 C GLY A 20 4.176 5.450 6.766 1.00 2.93 C ATOM 306 O GLY A 20 4.324 6.385 5.977 1.00 3.38 O ATOM 0 H GLY A 20 2.764 4.096 9.317 1.00 2.95 H new ATOM 0 HA2 GLY A 20 2.728 6.495 7.947 1.00 3.08 H new ATOM 0 HA3 GLY A 20 4.076 5.856 8.866 1.00 3.08 H new ATOM 310 N LYS A 21 4.678 4.236 6.552 1.00 2.71 N ATOM 311 CA LYS A 21 5.448 3.927 5.355 1.00 2.99 C ATOM 312 C LYS A 21 4.837 2.744 4.609 1.00 2.67 C ATOM 313 O LYS A 21 5.530 1.794 4.247 1.00 3.19 O ATOM 314 CB LYS A 21 6.903 3.621 5.717 1.00 3.64 C ATOM 315 CG LYS A 21 7.816 3.509 4.505 1.00 4.42 C ATOM 316 CD LYS A 21 7.841 4.802 3.707 1.00 5.23 C ATOM 317 CE LYS A 21 8.339 5.967 4.548 1.00 5.87 C ATOM 318 NZ LYS A 21 9.723 5.736 5.047 1.00 6.40 N ATOM 0 H LYS A 21 4.564 3.451 7.194 1.00 2.71 H new ATOM 0 HA LYS A 21 5.423 4.800 4.703 1.00 2.99 H new ATOM 0 HB2 LYS A 21 7.279 4.405 6.375 1.00 3.64 H new ATOM 0 HB3 LYS A 21 6.941 2.688 6.279 1.00 3.64 H new ATOM 0 HG2 LYS A 21 8.826 3.261 4.831 1.00 4.42 H new ATOM 0 HG3 LYS A 21 7.477 2.693 3.867 1.00 4.42 H new ATOM 0 HD2 LYS A 21 8.484 4.680 2.835 1.00 5.23 H new ATOM 0 HD3 LYS A 21 6.840 5.021 3.336 1.00 5.23 H new ATOM 0 HE2 LYS A 21 8.314 6.881 3.954 1.00 5.87 H new ATOM 0 HE3 LYS A 21 7.668 6.118 5.394 1.00 5.87 H new ATOM 0 HZ1 LYS A 21 10.097 6.617 5.454 1.00 6.40 H new ATOM 0 HZ2 LYS A 21 9.710 4.996 5.777 1.00 6.40 H new ATOM 0 HZ3 LYS A 21 10.330 5.434 4.259 1.00 6.40 H new ATOM 332 N ASP A 22 3.531 2.813 4.382 1.00 2.05 N ATOM 333 CA ASP A 22 2.818 1.758 3.680 1.00 1.82 C ATOM 334 C ASP A 22 1.348 2.116 3.532 1.00 1.49 C ATOM 335 O ASP A 22 0.572 2.047 4.486 1.00 1.91 O ATOM 336 CB ASP A 22 2.961 0.424 4.415 1.00 2.35 C ATOM 337 CG ASP A 22 2.260 -0.708 3.694 1.00 2.77 C ATOM 338 OD1 ASP A 22 2.617 -0.980 2.529 1.00 3.28 O ATOM 339 OD2 ASP A 22 1.354 -1.325 4.295 1.00 3.13 O ATOM 0 H ASP A 22 2.944 3.593 4.676 1.00 2.05 H new ATOM 0 HA ASP A 22 3.257 1.656 2.688 1.00 1.82 H new ATOM 0 HB2 ASP A 22 4.019 0.183 4.523 1.00 2.35 H new ATOM 0 HB3 ASP A 22 2.551 0.520 5.421 1.00 2.35 H new ATOM 344 N VAL A 23 0.981 2.494 2.317 1.00 0.98 N ATOM 345 CA VAL A 23 -0.387 2.866 1.996 1.00 0.77 C ATOM 346 C VAL A 23 -0.972 1.896 0.990 1.00 0.57 C ATOM 347 O VAL A 23 -0.252 1.354 0.149 1.00 0.70 O ATOM 348 CB VAL A 23 -0.457 4.276 1.396 1.00 0.90 C ATOM 349 CG1 VAL A 23 -1.904 4.706 1.217 1.00 1.50 C ATOM 350 CG2 VAL A 23 0.311 5.268 2.259 1.00 1.54 C ATOM 0 H VAL A 23 1.623 2.551 1.527 1.00 0.98 H new ATOM 0 HA VAL A 23 -0.955 2.840 2.926 1.00 0.77 H new ATOM 0 HB VAL A 23 0.013 4.258 0.413 1.00 0.90 H new ATOM 0 HG11 VAL A 23 -1.936 5.709 0.790 1.00 1.50 H new ATOM 0 HG12 VAL A 23 -2.410 4.011 0.547 1.00 1.50 H new ATOM 0 HG13 VAL A 23 -2.405 4.708 2.185 1.00 1.50 H new ATOM 0 HG21 VAL A 23 0.248 6.261 1.815 1.00 1.54 H new ATOM 0 HG22 VAL A 23 -0.120 5.290 3.260 1.00 1.54 H new ATOM 0 HG23 VAL A 23 1.356 4.964 2.321 1.00 1.54 H new ATOM 360 N GLU A 24 -2.274 1.670 1.067 1.00 0.53 N ATOM 361 CA GLU A 24 -2.915 0.754 0.142 1.00 0.45 C ATOM 362 C GLU A 24 -4.407 0.966 0.033 1.00 0.44 C ATOM 363 O GLU A 24 -5.025 1.590 0.881 1.00 0.47 O ATOM 364 CB GLU A 24 -2.608 -0.693 0.506 1.00 0.66 C ATOM 365 CG GLU A 24 -2.579 -0.970 1.994 1.00 1.82 C ATOM 366 CD GLU A 24 -1.203 -0.775 2.602 1.00 2.49 C ATOM 367 OE1 GLU A 24 -0.247 -0.524 1.839 1.00 2.95 O ATOM 368 OE2 GLU A 24 -1.080 -0.887 3.839 1.00 3.03 O ATOM 0 H GLU A 24 -2.898 2.101 1.749 1.00 0.53 H new ATOM 0 HA GLU A 24 -2.495 0.972 -0.840 1.00 0.45 H new ATOM 0 HB2 GLU A 24 -3.355 -1.338 0.043 1.00 0.66 H new ATOM 0 HB3 GLU A 24 -1.643 -0.966 0.079 1.00 0.66 H new ATOM 0 HG2 GLU A 24 -3.289 -0.312 2.495 1.00 1.82 H new ATOM 0 HG3 GLU A 24 -2.909 -1.993 2.175 1.00 1.82 H new ATOM 375 N TYR A 25 -4.955 0.455 -1.060 1.00 0.44 N ATOM 376 CA TYR A 25 -6.372 0.569 -1.358 1.00 0.46 C ATOM 377 C TYR A 25 -6.937 -0.787 -1.668 1.00 0.50 C ATOM 378 O TYR A 25 -6.708 -1.347 -2.730 1.00 0.76 O ATOM 379 CB TYR A 25 -6.592 1.541 -2.509 1.00 0.46 C ATOM 380 CG TYR A 25 -6.017 2.864 -2.171 1.00 0.41 C ATOM 381 CD1 TYR A 25 -4.663 3.038 -2.052 1.00 0.42 C ATOM 382 CD2 TYR A 25 -6.847 3.949 -2.000 1.00 0.48 C ATOM 383 CE1 TYR A 25 -4.143 4.277 -1.766 1.00 0.46 C ATOM 384 CE2 TYR A 25 -6.353 5.183 -1.720 1.00 0.56 C ATOM 385 CZ TYR A 25 -4.904 5.287 -1.484 1.00 0.49 C ATOM 386 OH TYR A 25 -4.480 6.601 -1.331 1.00 0.67 O ATOM 0 H TYR A 25 -4.425 -0.053 -1.768 1.00 0.44 H new ATOM 0 HA TYR A 25 -6.895 0.964 -0.487 1.00 0.46 H new ATOM 0 HB2 TYR A 25 -6.128 1.154 -3.416 1.00 0.46 H new ATOM 0 HB3 TYR A 25 -7.658 1.640 -2.714 1.00 0.46 H new ATOM 0 HD1 TYR A 25 -4.000 2.196 -2.184 1.00 0.42 H new ATOM 0 HD2 TYR A 25 -7.915 3.816 -2.091 1.00 0.48 H new ATOM 0 HE1 TYR A 25 -3.072 4.413 -1.777 1.00 0.46 H new ATOM 0 HE2 TYR A 25 -6.995 6.050 -1.673 1.00 0.56 H new ATOM 0 HH TYR A 25 -3.641 6.733 -1.820 1.00 0.67 H new ATOM 396 N LEU A 26 -7.650 -1.305 -0.698 1.00 0.29 N ATOM 397 CA LEU A 26 -8.252 -2.618 -0.767 1.00 0.30 C ATOM 398 C LEU A 26 -8.825 -2.925 0.606 1.00 0.25 C ATOM 399 O LEU A 26 -8.275 -3.739 1.343 1.00 0.35 O ATOM 400 CB LEU A 26 -7.190 -3.660 -1.152 1.00 0.43 C ATOM 401 CG LEU A 26 -6.981 -3.988 -2.646 1.00 0.86 C ATOM 402 CD1 LEU A 26 -6.527 -5.431 -2.801 1.00 1.45 C ATOM 403 CD2 LEU A 26 -8.221 -3.730 -3.489 1.00 1.65 C ATOM 0 H LEU A 26 -7.833 -0.818 0.179 1.00 0.29 H new ATOM 0 HA LEU A 26 -9.038 -2.648 -1.522 1.00 0.30 H new ATOM 0 HB2 LEU A 26 -6.235 -3.322 -0.751 1.00 0.43 H new ATOM 0 HB3 LEU A 26 -7.439 -4.590 -0.641 1.00 0.43 H new ATOM 0 HG LEU A 26 -6.207 -3.315 -3.016 1.00 0.86 H new ATOM 0 HD11 LEU A 26 -6.382 -5.655 -3.858 1.00 1.45 H new ATOM 0 HD12 LEU A 26 -5.588 -5.576 -2.267 1.00 1.45 H new ATOM 0 HD13 LEU A 26 -7.285 -6.097 -2.390 1.00 1.45 H new ATOM 0 HD21 LEU A 26 -8.012 -3.979 -4.529 1.00 1.65 H new ATOM 0 HD22 LEU A 26 -9.043 -4.347 -3.126 1.00 1.65 H new ATOM 0 HD23 LEU A 26 -8.498 -2.678 -3.416 1.00 1.65 H new ATOM 415 N VAL A 27 -9.901 -2.228 0.973 1.00 0.22 N ATOM 416 CA VAL A 27 -10.493 -2.409 2.288 1.00 0.23 C ATOM 417 C VAL A 27 -12.019 -2.509 2.219 1.00 0.22 C ATOM 418 O VAL A 27 -12.718 -1.932 3.040 1.00 0.33 O ATOM 419 CB VAL A 27 -10.135 -1.237 3.206 1.00 0.30 C ATOM 420 CG1 VAL A 27 -10.617 -1.498 4.625 1.00 0.39 C ATOM 421 CG2 VAL A 27 -8.637 -0.971 3.182 1.00 0.41 C ATOM 0 H VAL A 27 -10.372 -1.542 0.383 1.00 0.22 H new ATOM 0 HA VAL A 27 -10.091 -3.341 2.684 1.00 0.23 H new ATOM 0 HB VAL A 27 -10.642 -0.346 2.835 1.00 0.30 H new ATOM 0 HG11 VAL A 27 -10.352 -0.653 5.260 1.00 0.39 H new ATOM 0 HG12 VAL A 27 -11.699 -1.626 4.624 1.00 0.39 H new ATOM 0 HG13 VAL A 27 -10.145 -2.402 5.009 1.00 0.39 H new ATOM 0 HG21 VAL A 27 -8.405 -0.134 3.841 1.00 0.41 H new ATOM 0 HG22 VAL A 27 -8.104 -1.859 3.522 1.00 0.41 H new ATOM 0 HG23 VAL A 27 -8.327 -0.729 2.166 1.00 0.41 H new ATOM 431 N ARG A 28 -12.534 -3.195 1.209 1.00 0.17 N ATOM 432 CA ARG A 28 -13.983 -3.284 1.010 1.00 0.23 C ATOM 433 C ARG A 28 -14.540 -4.680 0.886 1.00 0.29 C ATOM 434 O ARG A 28 -15.566 -5.019 1.474 1.00 0.51 O ATOM 435 CB ARG A 28 -14.355 -2.555 -0.275 1.00 0.30 C ATOM 436 CG ARG A 28 -13.210 -2.253 -1.242 1.00 0.32 C ATOM 437 CD ARG A 28 -12.729 -3.489 -1.988 1.00 0.44 C ATOM 438 NE ARG A 28 -11.407 -3.936 -1.567 1.00 0.66 N ATOM 439 CZ ARG A 28 -10.859 -5.085 -1.948 1.00 0.88 C ATOM 440 NH1 ARG A 28 -11.453 -5.843 -2.851 1.00 0.60 N ATOM 441 NH2 ARG A 28 -9.700 -5.460 -1.440 1.00 1.56 N ATOM 0 H ARG A 28 -11.979 -3.697 0.516 1.00 0.17 H new ATOM 0 HA ARG A 28 -14.411 -2.843 1.910 1.00 0.23 H new ATOM 0 HB2 ARG A 28 -15.099 -3.151 -0.803 1.00 0.30 H new ATOM 0 HB3 ARG A 28 -14.833 -1.613 -0.007 1.00 0.30 H new ATOM 0 HG2 ARG A 28 -13.537 -1.503 -1.962 1.00 0.32 H new ATOM 0 HG3 ARG A 28 -12.377 -1.821 -0.688 1.00 0.32 H new ATOM 0 HD2 ARG A 28 -13.444 -4.298 -1.837 1.00 0.44 H new ATOM 0 HD3 ARG A 28 -12.710 -3.276 -3.057 1.00 0.44 H new ATOM 0 HE ARG A 28 -10.871 -3.332 -0.944 1.00 0.66 H new ATOM 0 HH11 ARG A 28 -12.339 -5.548 -3.261 1.00 0.60 H new ATOM 0 HH12 ARG A 28 -11.026 -6.724 -3.138 1.00 0.60 H new ATOM 0 HH21 ARG A 28 -9.227 -4.868 -0.757 1.00 1.56 H new ATOM 0 HH22 ARG A 28 -9.277 -6.342 -1.731 1.00 1.56 H new ATOM 455 N TRP A 29 -13.862 -5.466 0.087 1.00 0.30 N ATOM 456 CA TRP A 29 -14.268 -6.802 -0.177 1.00 0.36 C ATOM 457 C TRP A 29 -14.684 -7.560 1.097 1.00 0.37 C ATOM 458 O TRP A 29 -15.856 -7.570 1.473 1.00 0.52 O ATOM 459 CB TRP A 29 -13.184 -7.521 -1.021 1.00 0.44 C ATOM 460 CG TRP A 29 -11.749 -7.547 -0.495 1.00 0.43 C ATOM 461 CD1 TRP A 29 -10.740 -8.316 -1.012 1.00 0.58 C ATOM 462 CD2 TRP A 29 -11.145 -6.814 0.608 1.00 0.37 C ATOM 463 NE1 TRP A 29 -9.581 -8.134 -0.296 1.00 0.60 N ATOM 464 CE2 TRP A 29 -9.799 -7.224 0.684 1.00 0.45 C ATOM 465 CE3 TRP A 29 -11.592 -5.869 1.546 1.00 0.42 C ATOM 466 CZ2 TRP A 29 -8.921 -6.735 1.633 1.00 0.45 C ATOM 467 CZ3 TRP A 29 -10.721 -5.392 2.480 1.00 0.47 C ATOM 468 CH2 TRP A 29 -9.396 -5.824 2.518 1.00 0.44 C ATOM 0 H TRP A 29 -13.009 -5.184 -0.396 1.00 0.30 H new ATOM 0 HA TRP A 29 -15.179 -6.782 -0.775 1.00 0.36 H new ATOM 0 HB2 TRP A 29 -13.504 -8.553 -1.162 1.00 0.44 H new ATOM 0 HB3 TRP A 29 -13.168 -7.055 -2.006 1.00 0.44 H new ATOM 0 HD1 TRP A 29 -10.841 -8.973 -1.863 1.00 0.58 H new ATOM 0 HE1 TRP A 29 -8.696 -8.609 -0.474 1.00 0.60 H new ATOM 0 HE3 TRP A 29 -12.615 -5.524 1.528 1.00 0.42 H new ATOM 0 HZ2 TRP A 29 -7.894 -7.067 1.668 1.00 0.45 H new ATOM 0 HZ3 TRP A 29 -11.063 -4.667 3.203 1.00 0.47 H new ATOM 0 HH2 TRP A 29 -8.732 -5.424 3.270 1.00 0.44 H new ATOM 479 N LYS A 30 -13.723 -8.183 1.732 1.00 0.35 N ATOM 480 CA LYS A 30 -13.947 -8.946 2.944 1.00 0.43 C ATOM 481 C LYS A 30 -13.921 -8.015 4.160 1.00 0.45 C ATOM 482 O LYS A 30 -14.920 -7.370 4.476 1.00 0.84 O ATOM 483 CB LYS A 30 -12.915 -10.074 3.067 1.00 0.52 C ATOM 484 CG LYS A 30 -13.024 -10.865 4.362 1.00 1.24 C ATOM 485 CD LYS A 30 -11.967 -11.956 4.436 1.00 1.88 C ATOM 486 CE LYS A 30 -12.107 -12.947 3.290 1.00 2.53 C ATOM 487 NZ LYS A 30 -11.072 -14.015 3.350 1.00 3.39 N ATOM 0 H LYS A 30 -12.751 -8.177 1.422 1.00 0.35 H new ATOM 0 HA LYS A 30 -14.932 -9.411 2.900 1.00 0.43 H new ATOM 0 HB2 LYS A 30 -13.033 -10.755 2.225 1.00 0.52 H new ATOM 0 HB3 LYS A 30 -11.914 -9.648 2.995 1.00 0.52 H new ATOM 0 HG2 LYS A 30 -12.914 -10.191 5.212 1.00 1.24 H new ATOM 0 HG3 LYS A 30 -14.016 -11.311 4.435 1.00 1.24 H new ATOM 0 HD2 LYS A 30 -10.975 -11.505 4.409 1.00 1.88 H new ATOM 0 HD3 LYS A 30 -12.052 -12.483 5.386 1.00 1.88 H new ATOM 0 HE2 LYS A 30 -13.098 -13.400 3.321 1.00 2.53 H new ATOM 0 HE3 LYS A 30 -12.028 -12.418 2.341 1.00 2.53 H new ATOM 0 HZ1 LYS A 30 -11.202 -14.669 2.552 1.00 3.39 H new ATOM 0 HZ2 LYS A 30 -10.126 -13.586 3.295 1.00 3.39 H new ATOM 0 HZ3 LYS A 30 -11.164 -14.537 4.245 1.00 3.39 H new ATOM 501 N ASP A 31 -12.759 -7.927 4.816 1.00 0.56 N ATOM 502 CA ASP A 31 -12.575 -7.057 5.971 1.00 0.58 C ATOM 503 C ASP A 31 -13.754 -7.124 6.940 1.00 0.89 C ATOM 504 O ASP A 31 -14.656 -7.947 6.796 1.00 1.45 O ATOM 505 CB ASP A 31 -12.358 -5.614 5.502 1.00 0.73 C ATOM 506 CG ASP A 31 -13.546 -5.070 4.732 1.00 1.49 C ATOM 507 OD1 ASP A 31 -14.653 -5.023 5.307 1.00 2.01 O ATOM 508 OD2 ASP A 31 -13.367 -4.693 3.555 1.00 2.14 O ATOM 0 H ASP A 31 -11.926 -8.456 4.559 1.00 0.56 H new ATOM 0 HA ASP A 31 -11.695 -7.407 6.511 1.00 0.58 H new ATOM 0 HB2 ASP A 31 -12.168 -4.979 6.367 1.00 0.73 H new ATOM 0 HB3 ASP A 31 -11.469 -5.570 4.872 1.00 0.73 H new ATOM 513 N GLY A 32 -13.720 -6.243 7.932 1.00 1.01 N ATOM 514 CA GLY A 32 -14.765 -6.178 8.932 1.00 1.34 C ATOM 515 C GLY A 32 -14.301 -5.419 10.155 1.00 1.55 C ATOM 516 O GLY A 32 -14.818 -4.348 10.471 1.00 1.78 O ATOM 0 H GLY A 32 -12.972 -5.561 8.061 1.00 1.01 H new ATOM 0 HA2 GLY A 32 -15.646 -5.693 8.511 1.00 1.34 H new ATOM 0 HA3 GLY A 32 -15.063 -7.187 9.217 1.00 1.34 H new ATOM 520 N GLY A 33 -13.299 -5.974 10.832 1.00 1.72 N ATOM 521 CA GLY A 33 -12.750 -5.333 12.007 1.00 2.06 C ATOM 522 C GLY A 33 -11.623 -4.383 11.651 1.00 1.90 C ATOM 523 O GLY A 33 -11.578 -3.247 12.121 1.00 2.08 O ATOM 0 H GLY A 33 -12.858 -6.860 10.584 1.00 1.72 H new ATOM 0 HA2 GLY A 33 -13.538 -4.786 12.525 1.00 2.06 H new ATOM 0 HA3 GLY A 33 -12.382 -6.092 12.698 1.00 2.06 H new ATOM 527 N ASP A 34 -10.705 -4.869 10.815 1.00 1.71 N ATOM 528 CA ASP A 34 -9.553 -4.085 10.381 1.00 1.59 C ATOM 529 C ASP A 34 -9.408 -4.126 8.864 1.00 1.24 C ATOM 530 O ASP A 34 -9.997 -4.979 8.198 1.00 1.42 O ATOM 531 CB ASP A 34 -8.270 -4.622 11.016 1.00 1.74 C ATOM 532 CG ASP A 34 -8.346 -4.692 12.529 1.00 2.18 C ATOM 533 OD1 ASP A 34 -9.380 -4.282 13.093 1.00 2.53 O ATOM 534 OD2 ASP A 34 -7.365 -5.153 13.151 1.00 2.74 O ATOM 0 H ASP A 34 -10.740 -5.810 10.423 1.00 1.71 H new ATOM 0 HA ASP A 34 -9.716 -3.055 10.699 1.00 1.59 H new ATOM 0 HB2 ASP A 34 -8.064 -5.617 10.621 1.00 1.74 H new ATOM 0 HB3 ASP A 34 -7.434 -3.985 10.728 1.00 1.74 H new ATOM 539 N CYS A 35 -8.608 -3.214 8.328 1.00 1.02 N ATOM 540 CA CYS A 35 -8.364 -3.157 6.892 1.00 0.90 C ATOM 541 C CYS A 35 -7.470 -4.320 6.468 1.00 0.76 C ATOM 542 O CYS A 35 -6.590 -4.743 7.216 1.00 0.96 O ATOM 543 CB CYS A 35 -7.699 -1.830 6.521 1.00 1.24 C ATOM 544 SG CYS A 35 -8.575 -0.371 7.133 1.00 1.85 S ATOM 0 H CYS A 35 -8.116 -2.502 8.867 1.00 1.02 H new ATOM 0 HA CYS A 35 -9.319 -3.232 6.371 1.00 0.90 H new ATOM 0 HB2 CYS A 35 -6.683 -1.822 6.915 1.00 1.24 H new ATOM 0 HB3 CYS A 35 -7.621 -1.766 5.436 1.00 1.24 H new ATOM 0 HG CYS A 35 -8.521 0.574 6.241 1.00 1.85 H new ATOM 550 N GLU A 36 -7.708 -4.841 5.270 1.00 0.54 N ATOM 551 CA GLU A 36 -6.921 -5.971 4.761 1.00 0.50 C ATOM 552 C GLU A 36 -6.335 -5.699 3.380 1.00 0.41 C ATOM 553 O GLU A 36 -5.992 -6.642 2.667 1.00 0.54 O ATOM 554 CB GLU A 36 -7.758 -7.262 4.672 1.00 0.53 C ATOM 555 CG GLU A 36 -9.132 -7.183 5.316 1.00 0.65 C ATOM 556 CD GLU A 36 -9.085 -7.369 6.822 1.00 1.34 C ATOM 557 OE1 GLU A 36 -8.355 -6.612 7.494 1.00 2.09 O ATOM 558 OE2 GLU A 36 -9.781 -8.274 7.329 1.00 1.76 O ATOM 0 H GLU A 36 -8.432 -4.507 4.634 1.00 0.54 H new ATOM 0 HA GLU A 36 -6.112 -6.100 5.480 1.00 0.50 H new ATOM 0 HB2 GLU A 36 -7.880 -7.526 3.622 1.00 0.53 H new ATOM 0 HB3 GLU A 36 -7.200 -8.072 5.141 1.00 0.53 H new ATOM 0 HG2 GLU A 36 -9.581 -6.216 5.087 1.00 0.65 H new ATOM 0 HG3 GLU A 36 -9.778 -7.945 4.880 1.00 0.65 H new ATOM 565 N TRP A 37 -6.201 -4.437 2.990 1.00 0.43 N ATOM 566 CA TRP A 37 -5.630 -4.149 1.678 1.00 0.45 C ATOM 567 C TRP A 37 -4.268 -4.811 1.531 1.00 0.52 C ATOM 568 O TRP A 37 -3.844 -5.568 2.404 1.00 0.93 O ATOM 569 CB TRP A 37 -5.508 -2.675 1.392 1.00 0.82 C ATOM 570 CG TRP A 37 -5.335 -1.771 2.532 1.00 0.51 C ATOM 571 CD1 TRP A 37 -5.679 -0.495 2.469 1.00 0.78 C ATOM 572 CD2 TRP A 37 -4.798 -2.005 3.838 1.00 0.85 C ATOM 573 NE1 TRP A 37 -5.419 0.135 3.660 1.00 1.38 N ATOM 574 CE2 TRP A 37 -4.871 -0.784 4.524 1.00 1.36 C ATOM 575 CE3 TRP A 37 -4.271 -3.114 4.499 1.00 1.05 C ATOM 576 CZ2 TRP A 37 -4.436 -0.645 5.836 1.00 1.88 C ATOM 577 CZ3 TRP A 37 -3.838 -2.975 5.802 1.00 1.44 C ATOM 578 CH2 TRP A 37 -3.925 -1.746 6.460 1.00 1.83 C ATOM 0 H TRP A 37 -6.469 -3.621 3.541 1.00 0.43 H new ATOM 0 HA TRP A 37 -6.327 -4.561 0.948 1.00 0.45 H new ATOM 0 HB2 TRP A 37 -4.662 -2.533 0.720 1.00 0.82 H new ATOM 0 HB3 TRP A 37 -6.401 -2.364 0.850 1.00 0.82 H new ATOM 0 HD1 TRP A 37 -6.105 -0.016 1.600 1.00 0.78 H new ATOM 0 HE1 TRP A 37 -5.601 1.117 3.869 1.00 1.38 H new ATOM 0 HE3 TRP A 37 -4.203 -4.068 3.998 1.00 1.05 H new ATOM 0 HZ2 TRP A 37 -4.500 0.305 6.346 1.00 1.88 H new ATOM 0 HZ3 TRP A 37 -3.426 -3.828 6.320 1.00 1.44 H new ATOM 0 HH2 TRP A 37 -3.582 -1.666 7.481 1.00 1.83 H new ATOM 589 N VAL A 38 -3.574 -4.526 0.438 1.00 0.44 N ATOM 590 CA VAL A 38 -2.259 -5.112 0.226 1.00 0.55 C ATOM 591 C VAL A 38 -1.183 -4.041 0.082 1.00 0.56 C ATOM 592 O VAL A 38 -0.308 -3.889 0.933 1.00 1.64 O ATOM 593 CB VAL A 38 -2.245 -6.013 -1.026 1.00 0.99 C ATOM 594 CG1 VAL A 38 -0.866 -6.624 -1.235 1.00 1.83 C ATOM 595 CG2 VAL A 38 -3.304 -7.101 -0.913 1.00 1.37 C ATOM 0 H VAL A 38 -3.893 -3.903 -0.304 1.00 0.44 H new ATOM 0 HA VAL A 38 -2.040 -5.715 1.107 1.00 0.55 H new ATOM 0 HB VAL A 38 -2.478 -5.396 -1.894 1.00 0.99 H new ATOM 0 HG11 VAL A 38 -0.879 -7.256 -2.123 1.00 1.83 H new ATOM 0 HG12 VAL A 38 -0.132 -5.829 -1.366 1.00 1.83 H new ATOM 0 HG13 VAL A 38 -0.599 -7.225 -0.366 1.00 1.83 H new ATOM 0 HG21 VAL A 38 -3.279 -7.727 -1.805 1.00 1.37 H new ATOM 0 HG22 VAL A 38 -3.104 -7.714 -0.034 1.00 1.37 H new ATOM 0 HG23 VAL A 38 -4.288 -6.642 -0.819 1.00 1.37 H new ATOM 605 N LYS A 39 -1.269 -3.317 -1.017 1.00 0.48 N ATOM 606 CA LYS A 39 -0.327 -2.256 -1.338 1.00 0.37 C ATOM 607 C LYS A 39 -0.963 -1.233 -2.281 1.00 0.42 C ATOM 608 O LYS A 39 -1.606 -1.591 -3.265 1.00 1.01 O ATOM 609 CB LYS A 39 0.945 -2.841 -1.956 1.00 0.93 C ATOM 610 CG LYS A 39 2.037 -1.813 -2.201 1.00 1.70 C ATOM 611 CD LYS A 39 3.327 -2.476 -2.656 1.00 2.26 C ATOM 612 CE LYS A 39 3.146 -3.200 -3.980 1.00 2.93 C ATOM 613 NZ LYS A 39 4.400 -3.872 -4.420 1.00 3.46 N ATOM 0 H LYS A 39 -1.998 -3.447 -1.718 1.00 0.48 H new ATOM 0 HA LYS A 39 -0.059 -1.744 -0.414 1.00 0.37 H new ATOM 0 HB2 LYS A 39 1.332 -3.619 -1.298 1.00 0.93 H new ATOM 0 HB3 LYS A 39 0.691 -3.320 -2.902 1.00 0.93 H new ATOM 0 HG2 LYS A 39 1.706 -1.100 -2.956 1.00 1.70 H new ATOM 0 HG3 LYS A 39 2.219 -1.247 -1.287 1.00 1.70 H new ATOM 0 HD2 LYS A 39 4.108 -1.723 -2.756 1.00 2.26 H new ATOM 0 HD3 LYS A 39 3.661 -3.183 -1.897 1.00 2.26 H new ATOM 0 HE2 LYS A 39 2.352 -3.940 -3.884 1.00 2.93 H new ATOM 0 HE3 LYS A 39 2.828 -2.489 -4.742 1.00 2.93 H new ATOM 0 HZ1 LYS A 39 4.236 -4.354 -5.327 1.00 3.46 H new ATOM 0 HZ2 LYS A 39 5.152 -3.163 -4.537 1.00 3.46 H new ATOM 0 HZ3 LYS A 39 4.690 -4.569 -3.705 1.00 3.46 H new ATOM 627 N GLY A 40 -0.767 0.043 -1.962 1.00 0.34 N ATOM 628 CA GLY A 40 -1.319 1.106 -2.777 1.00 0.25 C ATOM 629 C GLY A 40 -0.520 1.334 -4.036 1.00 0.40 C ATOM 630 O GLY A 40 -1.074 1.325 -5.135 1.00 0.49 O ATOM 0 H GLY A 40 -0.234 0.358 -1.151 1.00 0.34 H new ATOM 0 HA2 GLY A 40 -2.348 0.862 -3.041 1.00 0.25 H new ATOM 0 HA3 GLY A 40 -1.349 2.028 -2.196 1.00 0.25 H new ATOM 634 N VAL A 41 0.790 1.526 -3.887 1.00 0.54 N ATOM 635 CA VAL A 41 1.665 1.741 -5.039 1.00 0.73 C ATOM 636 C VAL A 41 1.322 0.756 -6.150 1.00 0.78 C ATOM 637 O VAL A 41 1.437 1.063 -7.336 1.00 0.95 O ATOM 638 CB VAL A 41 3.153 1.592 -4.664 1.00 0.90 C ATOM 639 CG1 VAL A 41 3.426 0.220 -4.069 1.00 1.46 C ATOM 640 CG2 VAL A 41 4.035 1.836 -5.880 1.00 1.53 C ATOM 0 H VAL A 41 1.267 1.537 -2.985 1.00 0.54 H new ATOM 0 HA VAL A 41 1.502 2.762 -5.385 1.00 0.73 H new ATOM 0 HB VAL A 41 3.392 2.341 -3.909 1.00 0.90 H new ATOM 0 HG11 VAL A 41 4.482 0.138 -3.812 1.00 1.46 H new ATOM 0 HG12 VAL A 41 2.823 0.086 -3.171 1.00 1.46 H new ATOM 0 HG13 VAL A 41 3.169 -0.550 -4.797 1.00 1.46 H new ATOM 0 HG21 VAL A 41 5.082 1.727 -5.598 1.00 1.53 H new ATOM 0 HG22 VAL A 41 3.791 1.112 -6.657 1.00 1.53 H new ATOM 0 HG23 VAL A 41 3.864 2.844 -6.257 1.00 1.53 H new ATOM 650 N HIS A 42 0.869 -0.422 -5.737 1.00 0.68 N ATOM 651 CA HIS A 42 0.465 -1.461 -6.656 1.00 0.76 C ATOM 652 C HIS A 42 -1.033 -1.335 -6.949 1.00 0.71 C ATOM 653 O HIS A 42 -1.464 -1.464 -8.095 1.00 0.84 O ATOM 654 CB HIS A 42 0.830 -2.823 -6.046 1.00 0.78 C ATOM 655 CG HIS A 42 -0.073 -3.952 -6.419 1.00 1.62 C ATOM 656 ND1 HIS A 42 -0.116 -4.521 -7.673 1.00 2.42 N ATOM 657 CD2 HIS A 42 -0.987 -4.602 -5.676 1.00 2.23 C ATOM 658 CE1 HIS A 42 -1.022 -5.482 -7.683 1.00 3.43 C ATOM 659 NE2 HIS A 42 -1.566 -5.551 -6.480 1.00 3.33 N ATOM 0 H HIS A 42 0.774 -0.677 -4.754 1.00 0.68 H new ATOM 0 HA HIS A 42 0.986 -1.365 -7.608 1.00 0.76 H new ATOM 0 HB2 HIS A 42 1.846 -3.077 -6.348 1.00 0.78 H new ATOM 0 HB3 HIS A 42 0.835 -2.727 -4.960 1.00 0.78 H new ATOM 0 HD2 HIS A 42 -1.221 -4.412 -4.639 1.00 2.23 H new ATOM 0 HE1 HIS A 42 -1.275 -6.104 -8.529 1.00 3.43 H new ATOM 0 HE2 HIS A 42 -2.297 -6.203 -6.196 1.00 3.33 H new ATOM 668 N VAL A 43 -1.818 -1.068 -5.903 1.00 0.57 N ATOM 669 CA VAL A 43 -3.261 -0.913 -6.057 1.00 0.58 C ATOM 670 C VAL A 43 -3.640 0.545 -6.308 1.00 0.56 C ATOM 671 O VAL A 43 -4.661 1.025 -5.815 1.00 0.55 O ATOM 672 CB VAL A 43 -4.043 -1.435 -4.829 1.00 0.53 C ATOM 673 CG1 VAL A 43 -5.537 -1.392 -5.108 1.00 0.62 C ATOM 674 CG2 VAL A 43 -3.607 -2.850 -4.480 1.00 0.56 C ATOM 0 H VAL A 43 -1.479 -0.956 -4.947 1.00 0.57 H new ATOM 0 HA VAL A 43 -3.538 -1.515 -6.923 1.00 0.58 H new ATOM 0 HB VAL A 43 -3.826 -0.792 -3.976 1.00 0.53 H new ATOM 0 HG11 VAL A 43 -6.080 -1.761 -4.238 1.00 0.62 H new ATOM 0 HG12 VAL A 43 -5.839 -0.365 -5.316 1.00 0.62 H new ATOM 0 HG13 VAL A 43 -5.764 -2.018 -5.971 1.00 0.62 H new ATOM 0 HG21 VAL A 43 -4.168 -3.200 -3.614 1.00 0.56 H new ATOM 0 HG22 VAL A 43 -3.798 -3.509 -5.327 1.00 0.56 H new ATOM 0 HG23 VAL A 43 -2.542 -2.856 -4.249 1.00 0.56 H new ATOM 684 N ALA A 44 -2.823 1.249 -7.091 1.00 0.62 N ATOM 685 CA ALA A 44 -3.099 2.644 -7.412 1.00 0.63 C ATOM 686 C ALA A 44 -3.151 3.507 -6.155 1.00 0.50 C ATOM 687 O ALA A 44 -4.203 4.038 -5.799 1.00 0.51 O ATOM 688 CB ALA A 44 -4.405 2.741 -8.182 1.00 0.75 C ATOM 0 H ALA A 44 -1.971 0.877 -7.511 1.00 0.62 H new ATOM 0 HA ALA A 44 -2.286 3.022 -8.032 1.00 0.63 H new ATOM 0 HB1 ALA A 44 -4.610 3.785 -8.421 1.00 0.75 H new ATOM 0 HB2 ALA A 44 -4.327 2.166 -9.105 1.00 0.75 H new ATOM 0 HB3 ALA A 44 -5.217 2.342 -7.573 1.00 0.75 H new ATOM 694 N GLU A 45 -2.011 3.640 -5.484 1.00 0.46 N ATOM 695 CA GLU A 45 -1.933 4.437 -4.266 1.00 0.37 C ATOM 696 C GLU A 45 -2.346 5.880 -4.512 1.00 0.35 C ATOM 697 O GLU A 45 -3.206 6.416 -3.812 1.00 0.39 O ATOM 698 CB GLU A 45 -0.512 4.375 -3.665 1.00 0.48 C ATOM 699 CG GLU A 45 -0.102 5.600 -2.847 1.00 0.57 C ATOM 700 CD GLU A 45 0.417 6.730 -3.713 1.00 0.76 C ATOM 701 OE1 GLU A 45 1.408 6.512 -4.443 1.00 1.21 O ATOM 702 OE2 GLU A 45 -0.165 7.834 -3.660 1.00 1.28 O ATOM 0 H GLU A 45 -1.131 3.207 -5.763 1.00 0.46 H new ATOM 0 HA GLU A 45 -2.635 4.010 -3.549 1.00 0.37 H new ATOM 0 HB2 GLU A 45 -0.441 3.492 -3.030 1.00 0.48 H new ATOM 0 HB3 GLU A 45 0.204 4.242 -4.476 1.00 0.48 H new ATOM 0 HG2 GLU A 45 -0.958 5.952 -2.272 1.00 0.57 H new ATOM 0 HG3 GLU A 45 0.668 5.313 -2.130 1.00 0.57 H new ATOM 709 N ASP A 46 -1.716 6.514 -5.488 1.00 0.38 N ATOM 710 CA ASP A 46 -2.016 7.902 -5.784 1.00 0.43 C ATOM 711 C ASP A 46 -3.186 8.025 -6.764 1.00 0.45 C ATOM 712 O ASP A 46 -3.295 9.011 -7.490 1.00 0.67 O ATOM 713 CB ASP A 46 -0.766 8.592 -6.348 1.00 0.57 C ATOM 714 CG ASP A 46 -0.842 10.108 -6.290 1.00 1.40 C ATOM 715 OD1 ASP A 46 -1.684 10.684 -7.010 1.00 2.14 O ATOM 716 OD2 ASP A 46 -0.065 10.720 -5.529 1.00 2.07 O ATOM 0 H ASP A 46 -1.001 6.094 -6.082 1.00 0.38 H new ATOM 0 HA ASP A 46 -2.312 8.394 -4.858 1.00 0.43 H new ATOM 0 HB2 ASP A 46 0.109 8.257 -5.791 1.00 0.57 H new ATOM 0 HB3 ASP A 46 -0.623 8.281 -7.383 1.00 0.57 H new ATOM 721 N VAL A 47 -4.072 7.029 -6.785 1.00 0.35 N ATOM 722 CA VAL A 47 -5.220 7.064 -7.676 1.00 0.41 C ATOM 723 C VAL A 47 -6.503 6.949 -6.883 1.00 0.41 C ATOM 724 O VAL A 47 -7.450 7.707 -7.095 1.00 0.51 O ATOM 725 CB VAL A 47 -5.170 5.911 -8.688 1.00 0.50 C ATOM 726 CG1 VAL A 47 -6.346 5.992 -9.649 1.00 0.59 C ATOM 727 CG2 VAL A 47 -3.849 5.913 -9.442 1.00 0.56 C ATOM 0 H VAL A 47 -4.014 6.197 -6.198 1.00 0.35 H new ATOM 0 HA VAL A 47 -5.191 8.014 -8.209 1.00 0.41 H new ATOM 0 HB VAL A 47 -5.243 4.971 -8.142 1.00 0.50 H new ATOM 0 HG11 VAL A 47 -6.293 5.166 -10.359 1.00 0.59 H new ATOM 0 HG12 VAL A 47 -7.279 5.930 -9.089 1.00 0.59 H new ATOM 0 HG13 VAL A 47 -6.310 6.938 -10.189 1.00 0.59 H new ATOM 0 HG21 VAL A 47 -3.835 5.088 -10.154 1.00 0.56 H new ATOM 0 HG22 VAL A 47 -3.737 6.856 -9.977 1.00 0.56 H new ATOM 0 HG23 VAL A 47 -3.027 5.797 -8.736 1.00 0.56 H new ATOM 737 N ALA A 48 -6.527 5.996 -5.967 1.00 0.38 N ATOM 738 CA ALA A 48 -7.695 5.785 -5.141 1.00 0.44 C ATOM 739 C ALA A 48 -7.713 6.754 -3.962 1.00 0.39 C ATOM 740 O ALA A 48 -8.756 6.971 -3.350 1.00 0.46 O ATOM 741 CB ALA A 48 -7.761 4.341 -4.678 1.00 0.52 C ATOM 0 H ALA A 48 -5.752 5.360 -5.780 1.00 0.38 H new ATOM 0 HA ALA A 48 -8.584 5.986 -5.739 1.00 0.44 H new ATOM 0 HB1 ALA A 48 -8.646 4.198 -4.057 1.00 0.52 H new ATOM 0 HB2 ALA A 48 -7.816 3.683 -5.545 1.00 0.52 H new ATOM 0 HB3 ALA A 48 -6.869 4.104 -4.098 1.00 0.52 H new ATOM 747 N LYS A 49 -6.560 7.355 -3.648 1.00 0.35 N ATOM 748 CA LYS A 49 -6.488 8.313 -2.546 1.00 0.41 C ATOM 749 C LYS A 49 -7.523 9.398 -2.746 1.00 0.43 C ATOM 750 O LYS A 49 -8.330 9.681 -1.867 1.00 0.59 O ATOM 751 CB LYS A 49 -5.088 8.934 -2.430 1.00 0.49 C ATOM 752 CG LYS A 49 -4.745 9.935 -3.522 1.00 1.19 C ATOM 753 CD LYS A 49 -3.332 10.472 -3.358 1.00 1.51 C ATOM 754 CE LYS A 49 -2.999 11.501 -4.426 1.00 1.95 C ATOM 755 NZ LYS A 49 -3.894 12.689 -4.350 1.00 2.65 N ATOM 0 H LYS A 49 -5.678 7.197 -4.135 1.00 0.35 H new ATOM 0 HA LYS A 49 -6.692 7.779 -1.618 1.00 0.41 H new ATOM 0 HB2 LYS A 49 -5.004 9.429 -1.463 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -4.348 8.134 -2.444 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -4.844 9.460 -4.498 1.00 1.19 H new ATOM 0 HG3 LYS A 49 -5.455 10.761 -3.496 1.00 1.19 H new ATOM 0 HD2 LYS A 49 -3.225 10.923 -2.371 1.00 1.51 H new ATOM 0 HD3 LYS A 49 -2.620 9.648 -3.411 1.00 1.51 H new ATOM 0 HE2 LYS A 49 -1.963 11.819 -4.313 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -3.086 11.043 -5.411 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -4.545 12.686 -5.161 1.00 2.65 H new ATOM 0 HZ2 LYS A 49 -4.442 12.655 -3.467 1.00 2.65 H new ATOM 0 HZ3 LYS A 49 -3.321 13.557 -4.369 1.00 2.65 H new ATOM 769 N ASP A 50 -7.520 9.991 -3.919 1.00 0.41 N ATOM 770 CA ASP A 50 -8.476 11.027 -4.213 1.00 0.50 C ATOM 771 C ASP A 50 -9.884 10.478 -4.175 1.00 0.51 C ATOM 772 O ASP A 50 -10.837 11.193 -3.871 1.00 0.68 O ATOM 773 CB ASP A 50 -8.168 11.671 -5.561 1.00 0.58 C ATOM 774 CG ASP A 50 -6.940 12.560 -5.510 1.00 1.27 C ATOM 775 OD1 ASP A 50 -6.943 13.532 -4.728 1.00 1.69 O ATOM 776 OD2 ASP A 50 -5.975 12.282 -6.254 1.00 1.96 O ATOM 0 H ASP A 50 -6.872 9.774 -4.676 1.00 0.41 H new ATOM 0 HA ASP A 50 -8.399 11.799 -3.448 1.00 0.50 H new ATOM 0 HB2 ASP A 50 -8.018 10.891 -6.307 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -9.026 12.260 -5.884 1.00 0.58 H new ATOM 781 N TYR A 51 -10.005 9.198 -4.470 1.00 0.51 N ATOM 782 CA TYR A 51 -11.291 8.546 -4.451 1.00 0.57 C ATOM 783 C TYR A 51 -11.778 8.307 -3.027 1.00 0.52 C ATOM 784 O TYR A 51 -12.924 8.595 -2.692 1.00 0.58 O ATOM 785 CB TYR A 51 -11.208 7.204 -5.147 1.00 0.66 C ATOM 786 CG TYR A 51 -12.534 6.474 -5.146 1.00 0.68 C ATOM 787 CD1 TYR A 51 -13.027 5.933 -3.972 1.00 0.72 C ATOM 788 CD2 TYR A 51 -13.310 6.376 -6.292 1.00 1.08 C ATOM 789 CE1 TYR A 51 -14.252 5.309 -3.926 1.00 0.78 C ATOM 790 CE2 TYR A 51 -14.544 5.753 -6.261 1.00 1.16 C ATOM 791 CZ TYR A 51 -15.014 5.223 -5.077 1.00 0.86 C ATOM 792 OH TYR A 51 -16.241 4.601 -5.052 1.00 0.99 O ATOM 0 H TYR A 51 -9.225 8.592 -4.725 1.00 0.51 H new ATOM 0 HA TYR A 51 -11.990 9.205 -4.966 1.00 0.57 H new ATOM 0 HB2 TYR A 51 -10.877 7.350 -6.175 1.00 0.66 H new ATOM 0 HB3 TYR A 51 -10.456 6.588 -4.655 1.00 0.66 H new ATOM 0 HD1 TYR A 51 -12.436 6.002 -3.071 1.00 0.72 H new ATOM 0 HD2 TYR A 51 -12.946 6.792 -7.220 1.00 1.08 H new ATOM 0 HE1 TYR A 51 -14.616 4.890 -2.999 1.00 0.78 H new ATOM 0 HE2 TYR A 51 -15.138 5.682 -7.160 1.00 1.16 H new ATOM 0 HH TYR A 51 -16.481 4.389 -4.126 1.00 0.99 H new ATOM 802 N GLU A 52 -10.914 7.709 -2.219 1.00 0.49 N ATOM 803 CA GLU A 52 -11.254 7.353 -0.844 1.00 0.58 C ATOM 804 C GLU A 52 -10.732 8.379 0.146 1.00 0.57 C ATOM 805 O GLU A 52 -11.492 8.966 0.911 1.00 0.66 O ATOM 806 CB GLU A 52 -10.694 5.957 -0.510 1.00 0.78 C ATOM 807 CG GLU A 52 -11.630 4.774 -0.775 1.00 1.39 C ATOM 808 CD GLU A 52 -10.876 3.505 -1.099 1.00 2.19 C ATOM 809 OE1 GLU A 52 -10.062 3.068 -0.261 1.00 2.81 O ATOM 810 OE2 GLU A 52 -11.099 2.949 -2.187 1.00 2.76 O ATOM 0 H GLU A 52 -9.964 7.457 -2.493 1.00 0.49 H new ATOM 0 HA GLU A 52 -12.341 7.337 -0.760 1.00 0.58 H new ATOM 0 HB2 GLU A 52 -9.781 5.807 -1.085 1.00 0.78 H new ATOM 0 HB3 GLU A 52 -10.413 5.943 0.543 1.00 0.78 H new ATOM 0 HG2 GLU A 52 -12.257 4.607 0.101 1.00 1.39 H new ATOM 0 HG3 GLU A 52 -12.296 5.019 -1.602 1.00 1.39 H new ATOM 817 N ASP A 53 -9.425 8.583 0.136 1.00 0.57 N ATOM 818 CA ASP A 53 -8.785 9.519 1.046 1.00 0.66 C ATOM 819 C ASP A 53 -9.590 10.821 1.191 1.00 0.78 C ATOM 820 O ASP A 53 -9.796 11.305 2.304 1.00 0.99 O ATOM 821 CB ASP A 53 -7.368 9.818 0.546 1.00 0.69 C ATOM 822 CG ASP A 53 -6.420 10.186 1.672 1.00 1.27 C ATOM 823 OD1 ASP A 53 -6.684 11.190 2.366 1.00 1.61 O ATOM 824 OD2 ASP A 53 -5.415 9.469 1.859 1.00 2.12 O ATOM 0 H ASP A 53 -8.782 8.109 -0.498 1.00 0.57 H new ATOM 0 HA ASP A 53 -8.740 9.061 2.034 1.00 0.66 H new ATOM 0 HB2 ASP A 53 -6.980 8.946 0.020 1.00 0.69 H new ATOM 0 HB3 ASP A 53 -7.405 10.635 -0.175 1.00 0.69 H new ATOM 829 N GLY A 54 -10.019 11.398 0.067 1.00 0.76 N ATOM 830 CA GLY A 54 -10.763 12.648 0.121 1.00 0.99 C ATOM 831 C GLY A 54 -12.265 12.497 -0.069 1.00 1.06 C ATOM 832 O GLY A 54 -12.939 13.449 -0.466 1.00 1.27 O ATOM 0 H GLY A 54 -9.866 11.026 -0.871 1.00 0.76 H new ATOM 0 HA2 GLY A 54 -10.577 13.125 1.083 1.00 0.99 H new ATOM 0 HA3 GLY A 54 -10.378 13.319 -0.647 1.00 0.99 H new ATOM 836 N LEU A 55 -12.789 11.315 0.201 1.00 0.96 N ATOM 837 CA LEU A 55 -14.195 11.034 0.056 1.00 1.08 C ATOM 838 C LEU A 55 -14.473 9.744 0.783 1.00 1.17 C ATOM 839 O LEU A 55 -14.850 9.757 1.951 1.00 1.46 O ATOM 840 CB LEU A 55 -14.535 10.925 -1.421 1.00 1.14 C ATOM 841 CG LEU A 55 -15.870 10.268 -1.726 1.00 1.50 C ATOM 842 CD1 LEU A 55 -17.018 11.202 -1.378 1.00 2.32 C ATOM 843 CD2 LEU A 55 -15.938 9.843 -3.185 1.00 2.04 C ATOM 0 H LEU A 55 -12.241 10.520 0.530 1.00 0.96 H new ATOM 0 HA LEU A 55 -14.810 11.829 0.478 1.00 1.08 H new ATOM 0 HB2 LEU A 55 -14.532 11.925 -1.854 1.00 1.14 H new ATOM 0 HB3 LEU A 55 -13.747 10.360 -1.919 1.00 1.14 H new ATOM 0 HG LEU A 55 -15.962 9.374 -1.109 1.00 1.50 H new ATOM 0 HD11 LEU A 55 -17.966 10.713 -1.604 1.00 2.32 H new ATOM 0 HD12 LEU A 55 -16.979 11.446 -0.316 1.00 2.32 H new ATOM 0 HD13 LEU A 55 -16.933 12.117 -1.964 1.00 2.32 H new ATOM 0 HD21 LEU A 55 -16.902 9.375 -3.383 1.00 2.04 H new ATOM 0 HD22 LEU A 55 -15.821 10.718 -3.825 1.00 2.04 H new ATOM 0 HD23 LEU A 55 -15.139 9.132 -3.394 1.00 2.04 H new ATOM 855 N GLU A 56 -14.213 8.628 0.129 1.00 1.14 N ATOM 856 CA GLU A 56 -14.388 7.346 0.775 1.00 1.35 C ATOM 857 C GLU A 56 -13.199 7.080 1.703 1.00 1.40 C ATOM 858 O GLU A 56 -12.478 6.105 1.536 1.00 1.53 O ATOM 859 CB GLU A 56 -14.547 6.228 -0.257 1.00 1.50 C ATOM 860 CG GLU A 56 -15.581 6.550 -1.304 1.00 2.03 C ATOM 861 CD GLU A 56 -16.530 5.399 -1.571 1.00 2.47 C ATOM 862 OE1 GLU A 56 -17.074 4.834 -0.602 1.00 2.96 O ATOM 863 OE2 GLU A 56 -16.708 5.042 -2.748 1.00 2.88 O ATOM 0 H GLU A 56 -13.884 8.584 -0.836 1.00 1.14 H new ATOM 0 HA GLU A 56 -15.302 7.367 1.369 1.00 1.35 H new ATOM 0 HB2 GLU A 56 -13.588 6.047 -0.742 1.00 1.50 H new ATOM 0 HB3 GLU A 56 -14.826 5.305 0.252 1.00 1.50 H new ATOM 0 HG2 GLU A 56 -16.155 7.420 -0.985 1.00 2.03 H new ATOM 0 HG3 GLU A 56 -15.078 6.822 -2.232 1.00 2.03 H new ATOM 870 N TYR A 57 -12.970 7.980 2.664 1.00 1.40 N ATOM 871 CA TYR A 57 -11.853 7.833 3.588 1.00 1.54 C ATOM 872 C TYR A 57 -12.033 6.603 4.471 1.00 1.86 C ATOM 873 O TYR A 57 -11.011 6.005 4.865 1.00 2.28 O ATOM 874 CB TYR A 57 -11.706 9.091 4.450 1.00 1.67 C ATOM 875 CG TYR A 57 -12.960 9.472 5.210 1.00 2.04 C ATOM 876 CD1 TYR A 57 -13.500 8.631 6.178 1.00 2.75 C ATOM 877 CD2 TYR A 57 -13.605 10.675 4.955 1.00 2.29 C ATOM 878 CE1 TYR A 57 -14.645 8.980 6.868 1.00 3.60 C ATOM 879 CE2 TYR A 57 -14.752 11.032 5.642 1.00 3.06 C ATOM 880 CZ TYR A 57 -15.266 10.181 6.596 1.00 3.70 C ATOM 881 OH TYR A 57 -16.406 10.532 7.282 1.00 4.67 O ATOM 882 OXT TYR A 57 -13.195 6.248 4.759 1.00 2.26 O ATOM 0 H TYR A 57 -13.541 8.811 2.818 1.00 1.40 H new ATOM 0 HA TYR A 57 -10.943 7.700 3.003 1.00 1.54 H new ATOM 0 HB2 TYR A 57 -10.895 8.937 5.162 1.00 1.67 H new ATOM 0 HB3 TYR A 57 -11.415 9.924 3.811 1.00 1.67 H new ATOM 0 HD1 TYR A 57 -13.016 7.690 6.394 1.00 2.75 H new ATOM 0 HD2 TYR A 57 -13.204 11.344 4.207 1.00 2.29 H new ATOM 0 HE1 TYR A 57 -15.052 8.316 7.616 1.00 3.60 H new ATOM 0 HE2 TYR A 57 -15.241 11.972 5.432 1.00 3.06 H new ATOM 0 HH TYR A 57 -16.717 11.408 6.972 1.00 4.67 H new