USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 292 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 309 SER OG : rot 180:sc= 0 USER MOD Single : A 310 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.53) USER MOD Single : A 314 THR OG1 : rot 78:sc= 1.07 USER MOD Single : A 316 GLN : amide:sc=-0.00714 X(o=-0.0071,f=-0.36) USER MOD Single : A 320 GLN : amide:sc= -4.02 K(o=-4,f=-15!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.021) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 343 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 309 4.329 -9.228 -8.236 1.00 3.34 N ATOM 2 CA SER A 309 2.908 -8.998 -8.004 1.00 71.45 C ATOM 3 C SER A 309 2.668 -7.604 -7.434 1.00 43.22 C ATOM 4 O SER A 309 1.880 -6.829 -7.974 1.00 53.43 O ATOM 5 CB SER A 309 2.348 -10.055 -7.050 1.00 72.13 C ATOM 6 OG SER A 309 2.241 -11.315 -7.690 1.00 42.13 O ATOM 0 HA SER A 309 2.393 -9.073 -8.962 1.00 71.45 H new ATOM 0 HB2 SER A 309 2.995 -10.141 -6.177 1.00 72.13 H new ATOM 0 HB3 SER A 309 1.368 -9.742 -6.690 1.00 72.13 H new ATOM 0 HG SER A 309 1.882 -11.973 -7.059 1.00 42.13 H new ATOM 12 N GLN A 310 3.355 -7.293 -6.339 1.00 72.14 N ATOM 13 CA GLN A 310 3.216 -5.992 -5.695 1.00 24.51 C ATOM 14 C GLN A 310 4.384 -5.080 -6.055 1.00 10.42 C ATOM 15 O GLN A 310 4.213 -3.872 -6.215 1.00 43.53 O ATOM 16 CB GLN A 310 3.132 -6.158 -4.177 1.00 25.44 C ATOM 17 CG GLN A 310 1.835 -6.795 -3.705 1.00 22.11 C ATOM 18 CD GLN A 310 0.608 -6.109 -4.273 1.00 23.04 C ATOM 19 OE1 GLN A 310 0.121 -6.469 -5.345 1.00 24.54 O ATOM 20 NE2 GLN A 310 0.101 -5.114 -3.555 1.00 12.23 N ATOM 0 H GLN A 310 4.013 -7.923 -5.880 1.00 72.14 H new ATOM 0 HA GLN A 310 2.295 -5.532 -6.055 1.00 24.51 H new ATOM 0 HB2 GLN A 310 3.970 -6.768 -3.840 1.00 25.44 H new ATOM 0 HB3 GLN A 310 3.239 -5.181 -3.707 1.00 25.44 H new ATOM 0 HG2 GLN A 310 1.825 -7.846 -3.993 1.00 22.11 H new ATOM 0 HG3 GLN A 310 1.794 -6.762 -2.616 1.00 22.11 H new ATOM 0 HE21 GLN A 310 0.537 -4.849 -2.672 1.00 12.23 H new ATOM 0 HE22 GLN A 310 -0.724 -4.615 -3.887 1.00 12.23 H new ATOM 29 N ALA A 311 5.570 -5.666 -6.179 1.00 42.35 N ATOM 30 CA ALA A 311 6.766 -4.905 -6.522 1.00 33.31 C ATOM 31 C ALA A 311 6.537 -4.054 -7.767 1.00 23.44 C ATOM 32 O ALA A 311 7.015 -2.924 -7.852 1.00 42.23 O ATOM 33 CB ALA A 311 7.946 -5.843 -6.730 1.00 52.24 C ATOM 0 H ALA A 311 5.729 -6.665 -6.047 1.00 42.35 H new ATOM 0 HA ALA A 311 6.991 -4.234 -5.693 1.00 33.31 H new ATOM 0 HB1 ALA A 311 8.832 -5.262 -6.985 1.00 52.24 H new ATOM 0 HB2 ALA A 311 8.131 -6.403 -5.814 1.00 52.24 H new ATOM 0 HB3 ALA A 311 7.721 -6.537 -7.540 1.00 52.24 H new ATOM 39 N GLU A 312 5.805 -4.606 -8.729 1.00 33.31 N ATOM 40 CA GLU A 312 5.515 -3.897 -9.970 1.00 2.04 C ATOM 41 C GLU A 312 4.738 -2.613 -9.694 1.00 3.13 C ATOM 42 O GLU A 312 5.242 -1.511 -9.911 1.00 21.33 O ATOM 43 CB GLU A 312 4.720 -4.793 -10.922 1.00 12.34 C ATOM 44 CG GLU A 312 5.367 -6.145 -11.167 1.00 75.54 C ATOM 45 CD GLU A 312 6.643 -6.043 -11.980 1.00 12.12 C ATOM 46 OE1 GLU A 312 7.341 -7.068 -12.121 1.00 22.34 O ATOM 47 OE2 GLU A 312 6.943 -4.936 -12.475 1.00 73.21 O ATOM 0 H GLU A 312 5.402 -5.541 -8.673 1.00 33.31 H new ATOM 0 HA GLU A 312 6.463 -3.634 -10.438 1.00 2.04 H new ATOM 0 HB2 GLU A 312 3.721 -4.946 -10.514 1.00 12.34 H new ATOM 0 HB3 GLU A 312 4.599 -4.279 -11.876 1.00 12.34 H new ATOM 0 HG2 GLU A 312 5.588 -6.617 -10.209 1.00 75.54 H new ATOM 0 HG3 GLU A 312 4.661 -6.793 -11.686 1.00 75.54 H new ATOM 54 N ALA A 313 3.508 -2.764 -9.214 1.00 70.13 N ATOM 55 CA ALA A 313 2.662 -1.618 -8.907 1.00 54.12 C ATOM 56 C ALA A 313 3.376 -0.641 -7.979 1.00 52.03 C ATOM 57 O ALA A 313 3.212 0.574 -8.094 1.00 14.20 O ATOM 58 CB ALA A 313 1.353 -2.080 -8.284 1.00 31.12 C ATOM 0 H ALA A 313 3.075 -3.669 -9.029 1.00 70.13 H new ATOM 0 HA ALA A 313 2.444 -1.099 -9.840 1.00 54.12 H new ATOM 0 HB1 ALA A 313 0.731 -1.213 -8.060 1.00 31.12 H new ATOM 0 HB2 ALA A 313 0.828 -2.733 -8.982 1.00 31.12 H new ATOM 0 HB3 ALA A 313 1.561 -2.625 -7.363 1.00 31.12 H new ATOM 64 N THR A 314 4.169 -1.179 -7.058 1.00 64.14 N ATOM 65 CA THR A 314 4.907 -0.355 -6.109 1.00 62.23 C ATOM 66 C THR A 314 5.985 0.462 -6.812 1.00 54.44 C ATOM 67 O THR A 314 6.257 1.602 -6.435 1.00 41.35 O ATOM 68 CB THR A 314 5.564 -1.214 -5.012 1.00 43.31 C ATOM 69 OG1 THR A 314 4.561 -1.934 -4.287 1.00 2.30 O ATOM 70 CG2 THR A 314 6.366 -0.346 -4.053 1.00 53.05 C ATOM 0 H THR A 314 4.317 -2.182 -6.949 1.00 64.14 H new ATOM 0 HA THR A 314 4.186 0.320 -5.649 1.00 62.23 H new ATOM 0 HB THR A 314 6.242 -1.920 -5.491 1.00 43.31 H new ATOM 0 HG1 THR A 314 4.271 -2.709 -4.812 1.00 2.30 H new ATOM 0 HG21 THR A 314 6.821 -0.974 -3.287 1.00 53.05 H new ATOM 0 HG22 THR A 314 7.147 0.178 -4.603 1.00 53.05 H new ATOM 0 HG23 THR A 314 5.705 0.381 -3.581 1.00 53.05 H new ATOM 78 N ARG A 315 6.594 -0.126 -7.836 1.00 60.52 N ATOM 79 CA ARG A 315 7.643 0.548 -8.592 1.00 14.12 C ATOM 80 C ARG A 315 7.135 1.866 -9.169 1.00 54.11 C ATOM 81 O ARG A 315 7.590 2.941 -8.780 1.00 22.11 O ATOM 82 CB ARG A 315 8.149 -0.354 -9.719 1.00 54.54 C ATOM 83 CG ARG A 315 9.537 0.014 -10.217 1.00 11.51 C ATOM 84 CD ARG A 315 9.471 0.985 -11.386 1.00 14.25 C ATOM 85 NE ARG A 315 10.782 1.204 -11.990 1.00 51.40 N ATOM 86 CZ ARG A 315 10.997 2.049 -12.992 1.00 41.05 C ATOM 87 NH1 ARG A 315 9.993 2.750 -13.500 1.00 11.51 N ATOM 88 NH2 ARG A 315 12.219 2.194 -13.489 1.00 61.40 N ATOM 0 H ARG A 315 6.379 -1.068 -8.162 1.00 60.52 H new ATOM 0 HA ARG A 315 8.467 0.763 -7.911 1.00 14.12 H new ATOM 0 HB2 ARG A 315 8.159 -1.386 -9.370 1.00 54.54 H new ATOM 0 HB3 ARG A 315 7.449 -0.307 -10.553 1.00 54.54 H new ATOM 0 HG2 ARG A 315 10.110 0.460 -9.404 1.00 11.51 H new ATOM 0 HG3 ARG A 315 10.066 -0.889 -10.522 1.00 11.51 H new ATOM 0 HD2 ARG A 315 8.785 0.599 -12.140 1.00 14.25 H new ATOM 0 HD3 ARG A 315 9.066 1.937 -11.044 1.00 14.25 H new ATOM 0 HE ARG A 315 11.576 0.680 -11.623 1.00 51.40 H new ATOM 0 HH11 ARG A 315 9.052 2.641 -13.121 1.00 11.51 H new ATOM 0 HH12 ARG A 315 10.161 3.398 -14.269 1.00 11.51 H new ATOM 0 HH21 ARG A 315 12.994 1.656 -13.102 1.00 61.40 H new ATOM 0 HH22 ARG A 315 12.383 2.843 -14.258 1.00 61.40 H new ATOM 102 N GLN A 316 6.190 1.774 -10.099 1.00 75.30 N ATOM 103 CA GLN A 316 5.621 2.959 -10.730 1.00 62.23 C ATOM 104 C GLN A 316 5.142 3.957 -9.682 1.00 2.42 C ATOM 105 O GLN A 316 5.251 5.169 -9.869 1.00 31.20 O ATOM 106 CB GLN A 316 4.461 2.568 -11.647 1.00 33.52 C ATOM 107 CG GLN A 316 3.312 1.890 -10.918 1.00 33.12 C ATOM 108 CD GLN A 316 2.318 1.247 -11.865 1.00 53.21 C ATOM 109 OE1 GLN A 316 2.701 0.566 -12.817 1.00 14.13 O ATOM 110 NE2 GLN A 316 1.032 1.461 -11.609 1.00 23.41 N ATOM 0 H GLN A 316 5.802 0.891 -10.432 1.00 75.30 H new ATOM 0 HA GLN A 316 6.402 3.432 -11.326 1.00 62.23 H new ATOM 0 HB2 GLN A 316 4.087 3.461 -12.147 1.00 33.52 H new ATOM 0 HB3 GLN A 316 4.832 1.900 -12.424 1.00 33.52 H new ATOM 0 HG2 GLN A 316 3.711 1.130 -10.246 1.00 33.12 H new ATOM 0 HG3 GLN A 316 2.796 2.624 -10.299 1.00 33.12 H new ATOM 0 HE21 GLN A 316 0.759 2.032 -10.809 1.00 23.41 H new ATOM 0 HE22 GLN A 316 0.317 1.054 -12.212 1.00 23.41 H new ATOM 119 N ALA A 317 4.612 3.440 -8.578 1.00 54.54 N ATOM 120 CA ALA A 317 4.117 4.287 -7.499 1.00 65.24 C ATOM 121 C ALA A 317 5.265 4.999 -6.791 1.00 52.44 C ATOM 122 O ALA A 317 5.113 6.127 -6.323 1.00 14.11 O ATOM 123 CB ALA A 317 3.314 3.460 -6.506 1.00 52.53 C ATOM 0 H ALA A 317 4.514 2.439 -8.407 1.00 54.54 H new ATOM 0 HA ALA A 317 3.466 5.045 -7.934 1.00 65.24 H new ATOM 0 HB1 ALA A 317 2.950 4.105 -5.706 1.00 52.53 H new ATOM 0 HB2 ALA A 317 2.467 3.001 -7.016 1.00 52.53 H new ATOM 0 HB3 ALA A 317 3.949 2.681 -6.084 1.00 52.53 H new ATOM 129 N ALA A 318 6.412 4.334 -6.716 1.00 65.45 N ATOM 130 CA ALA A 318 7.586 4.904 -6.067 1.00 13.35 C ATOM 131 C ALA A 318 8.165 6.051 -6.888 1.00 61.11 C ATOM 132 O ALA A 318 8.698 7.014 -6.338 1.00 22.24 O ATOM 133 CB ALA A 318 8.639 3.830 -5.840 1.00 71.34 C ATOM 0 H ALA A 318 6.554 3.399 -7.097 1.00 65.45 H new ATOM 0 HA ALA A 318 7.277 5.303 -5.101 1.00 13.35 H new ATOM 0 HB1 ALA A 318 9.510 4.271 -5.355 1.00 71.34 H new ATOM 0 HB2 ALA A 318 8.228 3.046 -5.205 1.00 71.34 H new ATOM 0 HB3 ALA A 318 8.935 3.403 -6.798 1.00 71.34 H new ATOM 139 N ALA A 319 8.058 5.940 -8.208 1.00 54.31 N ATOM 140 CA ALA A 319 8.570 6.969 -9.105 1.00 72.31 C ATOM 141 C ALA A 319 7.546 8.080 -9.308 1.00 12.35 C ATOM 142 O ALA A 319 7.869 9.262 -9.191 1.00 51.04 O ATOM 143 CB ALA A 319 8.958 6.356 -10.443 1.00 5.43 C ATOM 0 H ALA A 319 7.621 5.148 -8.680 1.00 54.31 H new ATOM 0 HA ALA A 319 9.456 7.407 -8.647 1.00 72.31 H new ATOM 0 HB1 ALA A 319 9.339 7.135 -11.103 1.00 5.43 H new ATOM 0 HB2 ALA A 319 9.730 5.603 -10.288 1.00 5.43 H new ATOM 0 HB3 ALA A 319 8.083 5.891 -10.897 1.00 5.43 H new ATOM 149 N GLN A 320 6.311 7.693 -9.611 1.00 41.03 N ATOM 150 CA GLN A 320 5.241 8.658 -9.831 1.00 53.33 C ATOM 151 C GLN A 320 5.151 9.646 -8.672 1.00 65.34 C ATOM 152 O GLN A 320 4.778 10.803 -8.859 1.00 1.20 O ATOM 153 CB GLN A 320 3.903 7.937 -10.006 1.00 41.25 C ATOM 154 CG GLN A 320 3.272 7.499 -8.695 1.00 32.11 C ATOM 155 CD GLN A 320 2.359 8.555 -8.105 1.00 55.41 C ATOM 156 OE1 GLN A 320 2.767 9.336 -7.244 1.00 62.45 O ATOM 157 NE2 GLN A 320 1.114 8.587 -8.566 1.00 74.51 N ATOM 0 H GLN A 320 6.027 6.718 -9.710 1.00 41.03 H new ATOM 0 HA GLN A 320 5.469 9.213 -10.741 1.00 53.33 H new ATOM 0 HB2 GLN A 320 3.211 8.596 -10.531 1.00 41.25 H new ATOM 0 HB3 GLN A 320 4.051 7.062 -10.638 1.00 41.25 H new ATOM 0 HG2 GLN A 320 2.704 6.583 -8.858 1.00 32.11 H new ATOM 0 HG3 GLN A 320 4.059 7.263 -7.979 1.00 32.11 H new ATOM 0 HE21 GLN A 320 0.817 7.921 -9.280 1.00 74.51 H new ATOM 0 HE22 GLN A 320 0.455 9.277 -8.206 1.00 74.51 H new ATOM 166 N GLU A 321 5.496 9.180 -7.476 1.00 64.51 N ATOM 167 CA GLU A 321 5.454 10.023 -6.287 1.00 74.51 C ATOM 168 C GLU A 321 6.665 10.949 -6.233 1.00 21.10 C ATOM 169 O GLU A 321 6.559 12.101 -5.814 1.00 64.01 O ATOM 170 CB GLU A 321 5.401 9.160 -5.025 1.00 31.44 C ATOM 171 CG GLU A 321 4.028 8.571 -4.747 1.00 11.14 C ATOM 172 CD GLU A 321 2.988 9.633 -4.444 1.00 25.21 C ATOM 173 OE1 GLU A 321 3.362 10.822 -4.361 1.00 24.40 O ATOM 174 OE2 GLU A 321 1.802 9.276 -4.290 1.00 30.51 O ATOM 0 H GLU A 321 5.807 8.224 -7.305 1.00 64.51 H new ATOM 0 HA GLU A 321 4.553 10.635 -6.338 1.00 74.51 H new ATOM 0 HB2 GLU A 321 6.123 8.349 -5.119 1.00 31.44 H new ATOM 0 HB3 GLU A 321 5.709 9.762 -4.170 1.00 31.44 H new ATOM 0 HG2 GLU A 321 3.706 7.988 -5.609 1.00 11.14 H new ATOM 0 HG3 GLU A 321 4.096 7.883 -3.904 1.00 11.14 H new ATOM 181 N GLU A 322 7.815 10.435 -6.659 1.00 52.54 N ATOM 182 CA GLU A 322 9.046 11.216 -6.658 1.00 44.21 C ATOM 183 C GLU A 322 8.988 12.327 -7.703 1.00 71.52 C ATOM 184 O GLU A 322 9.165 13.503 -7.385 1.00 60.43 O ATOM 185 CB GLU A 322 10.250 10.311 -6.927 1.00 25.04 C ATOM 186 CG GLU A 322 11.587 11.025 -6.810 1.00 53.01 C ATOM 187 CD GLU A 322 11.929 11.828 -8.050 1.00 60.00 C ATOM 188 OE1 GLU A 322 12.465 12.946 -7.904 1.00 54.42 O ATOM 189 OE2 GLU A 322 11.661 11.337 -9.167 1.00 23.23 O ATOM 0 H GLU A 322 7.919 9.482 -7.009 1.00 52.54 H new ATOM 0 HA GLU A 322 9.155 11.672 -5.674 1.00 44.21 H new ATOM 0 HB2 GLU A 322 10.231 9.477 -6.226 1.00 25.04 H new ATOM 0 HB3 GLU A 322 10.160 9.888 -7.928 1.00 25.04 H new ATOM 0 HG2 GLU A 322 11.566 11.689 -5.946 1.00 53.01 H new ATOM 0 HG3 GLU A 322 12.372 10.291 -6.629 1.00 53.01 H new ATOM 196 N ARG A 323 8.739 11.944 -8.951 1.00 73.22 N ATOM 197 CA ARG A 323 8.659 12.906 -10.044 1.00 34.32 C ATOM 198 C ARG A 323 7.689 14.034 -9.704 1.00 44.45 C ATOM 199 O ARG A 323 8.069 15.206 -9.676 1.00 22.22 O ATOM 200 CB ARG A 323 8.217 12.210 -11.333 1.00 11.13 C ATOM 201 CG ARG A 323 9.083 11.019 -11.709 1.00 73.04 C ATOM 202 CD ARG A 323 8.828 10.576 -13.142 1.00 31.14 C ATOM 203 NE ARG A 323 10.026 10.020 -13.764 1.00 24.31 N ATOM 204 CZ ARG A 323 10.998 10.763 -14.282 1.00 31.12 C ATOM 205 NH1 ARG A 323 10.913 12.086 -14.252 1.00 20.34 N ATOM 206 NH2 ARG A 323 12.058 10.183 -14.831 1.00 14.01 N ATOM 0 H ARG A 323 8.589 10.975 -9.230 1.00 73.22 H new ATOM 0 HA ARG A 323 9.650 13.334 -10.192 1.00 34.32 H new ATOM 0 HB2 ARG A 323 7.185 11.877 -11.221 1.00 11.13 H new ATOM 0 HB3 ARG A 323 8.232 12.932 -12.150 1.00 11.13 H new ATOM 0 HG2 ARG A 323 10.135 11.280 -11.589 1.00 73.04 H new ATOM 0 HG3 ARG A 323 8.880 10.191 -11.029 1.00 73.04 H new ATOM 0 HD2 ARG A 323 8.033 9.830 -13.155 1.00 31.14 H new ATOM 0 HD3 ARG A 323 8.477 11.426 -13.727 1.00 31.14 H new ATOM 0 HE ARG A 323 10.122 9.005 -13.803 1.00 24.31 H new ATOM 0 HH11 ARG A 323 10.100 12.535 -13.831 1.00 20.34 H new ATOM 0 HH12 ARG A 323 11.661 12.654 -14.650 1.00 20.34 H new ATOM 0 HH21 ARG A 323 12.127 9.166 -14.856 1.00 14.01 H new ATOM 0 HH22 ARG A 323 12.804 10.755 -15.228 1.00 14.01 H new ATOM 220 N LEU A 324 6.437 13.674 -9.449 1.00 14.34 N ATOM 221 CA LEU A 324 5.412 14.656 -9.112 1.00 11.45 C ATOM 222 C LEU A 324 5.875 15.558 -7.972 1.00 24.44 C ATOM 223 O LEU A 324 5.578 16.751 -7.951 1.00 12.53 O ATOM 224 CB LEU A 324 4.111 13.952 -8.723 1.00 54.13 C ATOM 225 CG LEU A 324 3.116 13.707 -9.858 1.00 54.12 C ATOM 226 CD1 LEU A 324 3.795 13.001 -11.021 1.00 23.42 C ATOM 227 CD2 LEU A 324 1.928 12.897 -9.360 1.00 74.12 C ATOM 0 H LEU A 324 6.106 12.709 -9.469 1.00 14.34 H new ATOM 0 HA LEU A 324 5.235 15.275 -9.992 1.00 11.45 H new ATOM 0 HB2 LEU A 324 4.362 12.992 -8.272 1.00 54.13 H new ATOM 0 HB3 LEU A 324 3.616 14.545 -7.954 1.00 54.13 H new ATOM 0 HG LEU A 324 2.751 14.672 -10.209 1.00 54.12 H new ATOM 0 HD11 LEU A 324 3.071 12.835 -11.819 1.00 23.42 H new ATOM 0 HD12 LEU A 324 4.612 13.618 -11.395 1.00 23.42 H new ATOM 0 HD13 LEU A 324 4.190 12.042 -10.684 1.00 23.42 H new ATOM 0 HD21 LEU A 324 1.230 12.732 -10.181 1.00 74.12 H new ATOM 0 HD22 LEU A 324 2.276 11.936 -8.981 1.00 74.12 H new ATOM 0 HD23 LEU A 324 1.426 13.442 -8.561 1.00 74.12 H new ATOM 239 N ALA A 325 6.607 14.978 -7.026 1.00 25.20 N ATOM 240 CA ALA A 325 7.116 15.729 -5.885 1.00 51.22 C ATOM 241 C ALA A 325 7.857 16.982 -6.339 1.00 63.04 C ATOM 242 O ALA A 325 7.783 18.027 -5.693 1.00 44.21 O ATOM 243 CB ALA A 325 8.027 14.852 -5.039 1.00 51.11 C ATOM 0 H ALA A 325 6.861 13.990 -7.028 1.00 25.20 H new ATOM 0 HA ALA A 325 6.266 16.041 -5.279 1.00 51.22 H new ATOM 0 HB1 ALA A 325 8.400 15.426 -4.191 1.00 51.11 H new ATOM 0 HB2 ALA A 325 7.468 13.990 -4.676 1.00 51.11 H new ATOM 0 HB3 ALA A 325 8.867 14.511 -5.643 1.00 51.11 H new ATOM 249 N ASP A 326 8.572 16.869 -7.454 1.00 12.54 N ATOM 250 CA ASP A 326 9.327 17.994 -7.995 1.00 32.34 C ATOM 251 C ASP A 326 8.423 19.204 -8.205 1.00 52.34 C ATOM 252 O ASP A 326 8.840 20.346 -8.007 1.00 12.23 O ATOM 253 CB ASP A 326 9.991 17.601 -9.315 1.00 50.43 C ATOM 254 CG ASP A 326 11.091 16.575 -9.128 1.00 1.33 C ATOM 255 OD1 ASP A 326 12.154 16.721 -9.767 1.00 4.44 O ATOM 256 OD2 ASP A 326 10.889 15.627 -8.341 1.00 63.33 O ATOM 0 H ASP A 326 8.644 16.011 -8.000 1.00 12.54 H new ATOM 0 HA ASP A 326 10.100 18.262 -7.275 1.00 32.34 H new ATOM 0 HB2 ASP A 326 9.237 17.201 -9.993 1.00 50.43 H new ATOM 0 HB3 ASP A 326 10.405 18.491 -9.789 1.00 50.43 H new ATOM 261 N LEU A 327 7.184 18.948 -8.610 1.00 32.52 N ATOM 262 CA LEU A 327 6.220 20.016 -8.849 1.00 0.20 C ATOM 263 C LEU A 327 5.989 20.835 -7.583 1.00 20.43 C ATOM 264 O LEU A 327 5.839 22.055 -7.639 1.00 70.31 O ATOM 265 CB LEU A 327 4.895 19.433 -9.342 1.00 55.52 C ATOM 266 CG LEU A 327 4.074 20.327 -10.273 1.00 73.31 C ATOM 267 CD1 LEU A 327 2.823 19.600 -10.744 1.00 43.32 C ATOM 268 CD2 LEU A 327 3.706 21.628 -9.576 1.00 12.31 C ATOM 0 H LEU A 327 6.823 18.009 -8.780 1.00 32.52 H new ATOM 0 HA LEU A 327 6.628 20.675 -9.616 1.00 0.20 H new ATOM 0 HB2 LEU A 327 5.103 18.497 -9.860 1.00 55.52 H new ATOM 0 HB3 LEU A 327 4.283 19.188 -8.474 1.00 55.52 H new ATOM 0 HG LEU A 327 4.682 20.565 -11.146 1.00 73.31 H new ATOM 0 HD11 LEU A 327 2.251 20.251 -11.405 1.00 43.32 H new ATOM 0 HD12 LEU A 327 3.108 18.696 -11.282 1.00 43.32 H new ATOM 0 HD13 LEU A 327 2.212 19.331 -9.882 1.00 43.32 H new ATOM 0 HD21 LEU A 327 3.122 22.251 -10.253 1.00 12.31 H new ATOM 0 HD22 LEU A 327 3.117 21.410 -8.685 1.00 12.31 H new ATOM 0 HD23 LEU A 327 4.615 22.157 -9.289 1.00 12.31 H new ATOM 280 N ALA A 328 5.964 20.154 -6.441 1.00 51.51 N ATOM 281 CA ALA A 328 5.756 20.819 -5.161 1.00 33.25 C ATOM 282 C ALA A 328 6.733 21.975 -4.977 1.00 31.04 C ATOM 283 O ALA A 328 6.361 23.043 -4.491 1.00 2.21 O ATOM 284 CB ALA A 328 5.894 19.822 -4.020 1.00 24.51 C ATOM 0 H ALA A 328 6.085 19.143 -6.377 1.00 51.51 H new ATOM 0 HA ALA A 328 4.745 21.228 -5.152 1.00 33.25 H new ATOM 0 HB1 ALA A 328 5.736 20.332 -3.070 1.00 24.51 H new ATOM 0 HB2 ALA A 328 5.152 19.032 -4.135 1.00 24.51 H new ATOM 0 HB3 ALA A 328 6.893 19.386 -4.036 1.00 24.51 H new ATOM 290 N SER A 329 7.984 21.754 -5.367 1.00 41.02 N ATOM 291 CA SER A 329 9.016 22.776 -5.241 1.00 1.51 C ATOM 292 C SER A 329 8.862 23.841 -6.323 1.00 71.43 C ATOM 293 O SER A 329 9.101 25.024 -6.084 1.00 51.41 O ATOM 294 CB SER A 329 10.406 22.142 -5.328 1.00 14.12 C ATOM 295 OG SER A 329 11.344 23.045 -5.887 1.00 23.25 O ATOM 0 H SER A 329 8.307 20.876 -5.773 1.00 41.02 H new ATOM 0 HA SER A 329 8.902 23.253 -4.267 1.00 1.51 H new ATOM 0 HB2 SER A 329 10.735 21.841 -4.333 1.00 14.12 H new ATOM 0 HB3 SER A 329 10.360 21.238 -5.936 1.00 14.12 H new ATOM 0 HG SER A 329 12.224 22.617 -5.930 1.00 23.25 H new ATOM 301 N ASP A 330 8.461 23.410 -7.514 1.00 71.13 N ATOM 302 CA ASP A 330 8.273 24.324 -8.635 1.00 1.54 C ATOM 303 C ASP A 330 7.372 25.490 -8.239 1.00 44.42 C ATOM 304 O ASP A 330 7.764 26.654 -8.341 1.00 23.25 O ATOM 305 CB ASP A 330 7.674 23.583 -9.831 1.00 15.44 C ATOM 306 CG ASP A 330 7.811 24.363 -11.123 1.00 50.53 C ATOM 307 OD1 ASP A 330 7.152 25.416 -11.254 1.00 53.33 O ATOM 308 OD2 ASP A 330 8.578 23.922 -12.004 1.00 24.34 O ATOM 0 H ASP A 330 8.260 22.433 -7.728 1.00 71.13 H new ATOM 0 HA ASP A 330 9.249 24.721 -8.916 1.00 1.54 H new ATOM 0 HB2 ASP A 330 8.166 22.617 -9.940 1.00 15.44 H new ATOM 0 HB3 ASP A 330 6.619 23.384 -9.640 1.00 15.44 H new ATOM 313 N LEU A 331 6.164 25.171 -7.790 1.00 12.54 N ATOM 314 CA LEU A 331 5.206 26.193 -7.380 1.00 31.54 C ATOM 315 C LEU A 331 5.731 26.983 -6.185 1.00 55.23 C ATOM 316 O LEU A 331 5.506 28.190 -6.079 1.00 23.31 O ATOM 317 CB LEU A 331 3.863 25.549 -7.029 1.00 61.15 C ATOM 318 CG LEU A 331 3.900 24.459 -5.958 1.00 65.52 C ATOM 319 CD1 LEU A 331 3.724 25.064 -4.574 1.00 71.32 C ATOM 320 CD2 LEU A 331 2.829 23.412 -6.225 1.00 72.42 C ATOM 0 H LEU A 331 5.824 24.214 -7.700 1.00 12.54 H new ATOM 0 HA LEU A 331 5.066 26.881 -8.214 1.00 31.54 H new ATOM 0 HB2 LEU A 331 3.183 26.333 -6.697 1.00 61.15 H new ATOM 0 HB3 LEU A 331 3.439 25.123 -7.938 1.00 61.15 H new ATOM 0 HG LEU A 331 4.874 23.971 -5.997 1.00 65.52 H new ATOM 0 HD11 LEU A 331 3.753 24.273 -3.825 1.00 71.32 H new ATOM 0 HD12 LEU A 331 4.528 25.775 -4.383 1.00 71.32 H new ATOM 0 HD13 LEU A 331 2.765 25.579 -4.521 1.00 71.32 H new ATOM 0 HD21 LEU A 331 2.870 22.644 -5.453 1.00 72.42 H new ATOM 0 HD22 LEU A 331 1.847 23.885 -6.214 1.00 72.42 H new ATOM 0 HD23 LEU A 331 3.001 22.956 -7.200 1.00 72.42 H new ATOM 332 N LEU A 332 6.432 26.297 -5.290 1.00 34.41 N ATOM 333 CA LEU A 332 6.991 26.935 -4.103 1.00 61.05 C ATOM 334 C LEU A 332 7.920 28.081 -4.489 1.00 4.50 C ATOM 335 O LEU A 332 7.822 29.183 -3.947 1.00 41.55 O ATOM 336 CB LEU A 332 7.750 25.910 -3.259 1.00 2.12 C ATOM 337 CG LEU A 332 8.007 26.299 -1.802 1.00 72.34 C ATOM 338 CD1 LEU A 332 6.723 26.208 -0.992 1.00 4.24 C ATOM 339 CD2 LEU A 332 9.086 25.414 -1.196 1.00 62.55 C ATOM 0 H LEU A 332 6.627 25.299 -5.363 1.00 34.41 H new ATOM 0 HA LEU A 332 6.167 27.341 -3.516 1.00 61.05 H new ATOM 0 HB2 LEU A 332 7.192 24.974 -3.271 1.00 2.12 H new ATOM 0 HB3 LEU A 332 8.710 25.715 -3.737 1.00 2.12 H new ATOM 0 HG LEU A 332 8.356 27.331 -1.777 1.00 72.34 H new ATOM 0 HD11 LEU A 332 6.924 26.488 0.042 1.00 4.24 H new ATOM 0 HD12 LEU A 332 5.979 26.884 -1.413 1.00 4.24 H new ATOM 0 HD13 LEU A 332 6.344 25.186 -1.024 1.00 4.24 H new ATOM 0 HD21 LEU A 332 9.256 25.705 -0.159 1.00 62.55 H new ATOM 0 HD22 LEU A 332 8.766 24.373 -1.233 1.00 62.55 H new ATOM 0 HD23 LEU A 332 10.011 25.529 -1.761 1.00 62.55 H new ATOM 351 N LEU A 333 8.821 27.816 -5.429 1.00 33.31 N ATOM 352 CA LEU A 333 9.767 28.826 -5.889 1.00 50.05 C ATOM 353 C LEU A 333 9.039 30.086 -6.346 1.00 52.12 C ATOM 354 O LEU A 333 9.513 31.201 -6.129 1.00 33.22 O ATOM 355 CB LEU A 333 10.618 28.272 -7.033 1.00 41.14 C ATOM 356 CG LEU A 333 11.604 29.251 -7.672 1.00 55.50 C ATOM 357 CD1 LEU A 333 12.828 29.430 -6.788 1.00 31.44 C ATOM 358 CD2 LEU A 333 12.010 28.772 -9.058 1.00 34.11 C ATOM 0 H LEU A 333 8.916 26.910 -5.887 1.00 33.31 H new ATOM 0 HA LEU A 333 10.417 29.087 -5.054 1.00 50.05 H new ATOM 0 HB2 LEU A 333 11.178 27.415 -6.660 1.00 41.14 H new ATOM 0 HB3 LEU A 333 9.949 27.902 -7.810 1.00 41.14 H new ATOM 0 HG LEU A 333 11.111 30.218 -7.774 1.00 55.50 H new ATOM 0 HD11 LEU A 333 13.518 30.130 -7.259 1.00 31.44 H new ATOM 0 HD12 LEU A 333 12.522 29.820 -5.817 1.00 31.44 H new ATOM 0 HD13 LEU A 333 13.323 28.468 -6.653 1.00 31.44 H new ATOM 0 HD21 LEU A 333 12.712 29.481 -9.497 1.00 34.11 H new ATOM 0 HD22 LEU A 333 12.484 27.793 -8.980 1.00 34.11 H new ATOM 0 HD23 LEU A 333 11.126 28.698 -9.691 1.00 34.11 H new ATOM 370 N GLN A 334 7.884 29.900 -6.978 1.00 3.01 N ATOM 371 CA GLN A 334 7.090 31.022 -7.464 1.00 3.55 C ATOM 372 C GLN A 334 6.670 31.930 -6.312 1.00 52.24 C ATOM 373 O GLN A 334 6.606 33.151 -6.462 1.00 64.43 O ATOM 374 CB GLN A 334 5.853 30.516 -8.207 1.00 63.40 C ATOM 375 CG GLN A 334 5.033 31.623 -8.848 1.00 74.12 C ATOM 376 CD GLN A 334 5.646 32.133 -10.137 1.00 64.21 C ATOM 377 OE1 GLN A 334 5.844 33.336 -10.311 1.00 20.31 O ATOM 378 NE2 GLN A 334 5.952 31.218 -11.050 1.00 2.11 N ATOM 0 H GLN A 334 7.478 28.983 -7.165 1.00 3.01 H new ATOM 0 HA GLN A 334 7.707 31.600 -8.153 1.00 3.55 H new ATOM 0 HB2 GLN A 334 6.166 29.813 -8.979 1.00 63.40 H new ATOM 0 HB3 GLN A 334 5.222 29.964 -7.511 1.00 63.40 H new ATOM 0 HG2 GLN A 334 4.027 31.254 -9.050 1.00 74.12 H new ATOM 0 HG3 GLN A 334 4.934 32.450 -8.145 1.00 74.12 H new ATOM 0 HE21 GLN A 334 5.771 30.232 -10.864 1.00 2.11 H new ATOM 0 HE22 GLN A 334 6.368 31.502 -11.937 1.00 2.11 H new ATOM 387 N TYR A 335 6.383 31.327 -5.164 1.00 60.23 N ATOM 388 CA TYR A 335 5.966 32.081 -3.988 1.00 74.41 C ATOM 389 C TYR A 335 6.981 33.167 -3.649 1.00 3.24 C ATOM 390 O TYR A 335 6.617 34.259 -3.210 1.00 22.04 O ATOM 391 CB TYR A 335 5.786 31.143 -2.793 1.00 3.12 C ATOM 392 CG TYR A 335 4.901 31.710 -1.706 1.00 50.10 C ATOM 393 CD1 TYR A 335 5.426 32.066 -0.470 1.00 31.11 C ATOM 394 CD2 TYR A 335 3.539 31.891 -1.916 1.00 63.21 C ATOM 395 CE1 TYR A 335 4.620 32.583 0.526 1.00 45.51 C ATOM 396 CE2 TYR A 335 2.727 32.409 -0.926 1.00 55.05 C ATOM 397 CZ TYR A 335 3.272 32.753 0.293 1.00 53.31 C ATOM 398 OH TYR A 335 2.466 33.270 1.282 1.00 63.12 O ATOM 0 H TYR A 335 6.431 30.318 -5.023 1.00 60.23 H new ATOM 0 HA TYR A 335 5.013 32.559 -4.213 1.00 74.41 H new ATOM 0 HB2 TYR A 335 5.361 30.202 -3.142 1.00 3.12 H new ATOM 0 HB3 TYR A 335 6.765 30.914 -2.371 1.00 3.12 H new ATOM 0 HD1 TYR A 335 6.482 31.936 -0.285 1.00 31.11 H new ATOM 0 HD2 TYR A 335 3.108 31.622 -2.869 1.00 63.21 H new ATOM 0 HE1 TYR A 335 5.044 32.853 1.482 1.00 45.51 H new ATOM 0 HE2 TYR A 335 1.671 32.544 -1.106 1.00 55.05 H new ATOM 0 HH TYR A 335 1.544 33.326 0.956 1.00 63.12 H new ATOM 408 N LEU A 336 8.257 32.860 -3.856 1.00 1.53 N ATOM 409 CA LEU A 336 9.328 33.810 -3.573 1.00 51.00 C ATOM 410 C LEU A 336 9.231 35.028 -4.487 1.00 22.34 C ATOM 411 O LEU A 336 8.903 36.128 -4.040 1.00 72.31 O ATOM 412 CB LEU A 336 10.691 33.137 -3.744 1.00 1.25 C ATOM 413 CG LEU A 336 11.139 32.229 -2.598 1.00 3.11 C ATOM 414 CD1 LEU A 336 10.495 30.857 -2.721 1.00 13.23 C ATOM 415 CD2 LEU A 336 12.656 32.108 -2.576 1.00 21.41 C ATOM 0 H LEU A 336 8.575 31.961 -4.219 1.00 1.53 H new ATOM 0 HA LEU A 336 9.221 34.144 -2.541 1.00 51.00 H new ATOM 0 HB2 LEU A 336 10.671 32.548 -4.661 1.00 1.25 H new ATOM 0 HB3 LEU A 336 11.443 33.914 -3.881 1.00 1.25 H new ATOM 0 HG LEU A 336 10.816 32.676 -1.658 1.00 3.11 H new ATOM 0 HD11 LEU A 336 10.826 30.225 -1.897 1.00 13.23 H new ATOM 0 HD12 LEU A 336 9.410 30.960 -2.687 1.00 13.23 H new ATOM 0 HD13 LEU A 336 10.787 30.402 -3.667 1.00 13.23 H new ATOM 0 HD21 LEU A 336 12.957 31.458 -1.754 1.00 21.41 H new ATOM 0 HD22 LEU A 336 13.001 31.684 -3.519 1.00 21.41 H new ATOM 0 HD23 LEU A 336 13.098 33.095 -2.439 1.00 21.41 H new ATOM 427 N LEU A 337 9.517 34.824 -5.768 1.00 21.43 N ATOM 428 CA LEU A 337 9.460 35.904 -6.746 1.00 2.41 C ATOM 429 C LEU A 337 8.119 36.628 -6.681 1.00 30.05 C ATOM 430 O LEU A 337 8.058 37.852 -6.794 1.00 73.23 O ATOM 431 CB LEU A 337 9.688 35.356 -8.155 1.00 64.34 C ATOM 432 CG LEU A 337 9.693 36.387 -9.285 1.00 33.25 C ATOM 433 CD1 LEU A 337 10.707 36.006 -10.352 1.00 21.44 C ATOM 434 CD2 LEU A 337 8.303 36.520 -9.890 1.00 41.03 C ATOM 0 H LEU A 337 9.791 33.920 -6.154 1.00 21.43 H new ATOM 0 HA LEU A 337 10.249 36.617 -6.508 1.00 2.41 H new ATOM 0 HB2 LEU A 337 10.642 34.828 -8.168 1.00 64.34 H new ATOM 0 HB3 LEU A 337 8.913 34.619 -8.366 1.00 64.34 H new ATOM 0 HG LEU A 337 9.981 37.352 -8.869 1.00 33.25 H new ATOM 0 HD11 LEU A 337 10.696 36.751 -11.147 1.00 21.44 H new ATOM 0 HD12 LEU A 337 11.702 35.963 -9.909 1.00 21.44 H new ATOM 0 HD13 LEU A 337 10.451 35.030 -10.765 1.00 21.44 H new ATOM 0 HD21 LEU A 337 8.324 37.257 -10.692 1.00 41.03 H new ATOM 0 HD22 LEU A 337 7.987 35.557 -10.291 1.00 41.03 H new ATOM 0 HD23 LEU A 337 7.601 36.841 -9.121 1.00 41.03 H new ATOM 446 N GLN A 338 7.048 35.863 -6.495 1.00 22.15 N ATOM 447 CA GLN A 338 5.708 36.432 -6.412 1.00 42.14 C ATOM 448 C GLN A 338 5.580 37.349 -5.201 1.00 13.15 C ATOM 449 O GLN A 338 5.028 38.445 -5.294 1.00 72.42 O ATOM 450 CB GLN A 338 4.662 35.319 -6.338 1.00 20.34 C ATOM 451 CG GLN A 338 3.242 35.800 -6.589 1.00 42.15 C ATOM 452 CD GLN A 338 2.294 34.668 -6.931 1.00 61.34 C ATOM 453 OE1 GLN A 338 1.418 34.316 -6.141 1.00 12.21 O ATOM 454 NE2 GLN A 338 2.464 34.089 -8.115 1.00 4.54 N ATOM 0 H GLN A 338 7.082 34.848 -6.399 1.00 22.15 H new ATOM 0 HA GLN A 338 5.535 37.023 -7.311 1.00 42.14 H new ATOM 0 HB2 GLN A 338 4.910 34.549 -7.069 1.00 20.34 H new ATOM 0 HB3 GLN A 338 4.710 34.852 -5.354 1.00 20.34 H new ATOM 0 HG2 GLN A 338 2.877 36.320 -5.703 1.00 42.15 H new ATOM 0 HG3 GLN A 338 3.246 36.524 -7.404 1.00 42.15 H new ATOM 0 HE21 GLN A 338 3.203 34.412 -8.739 1.00 4.54 H new ATOM 0 HE22 GLN A 338 1.856 33.321 -8.399 1.00 4.54 H new ATOM 463 N GLY A 339 6.093 36.893 -4.062 1.00 21.21 N ATOM 464 CA GLY A 339 6.025 37.684 -2.848 1.00 12.54 C ATOM 465 C GLY A 339 6.565 39.088 -3.039 1.00 71.22 C ATOM 466 O GLY A 339 5.950 40.061 -2.606 1.00 4.51 O ATOM 0 H GLY A 339 6.555 35.989 -3.959 1.00 21.21 H new ATOM 0 HA2 GLY A 339 4.990 37.739 -2.512 1.00 12.54 H new ATOM 0 HA3 GLY A 339 6.590 37.185 -2.061 1.00 12.54 H new ATOM 470 N GLY A 340 7.720 39.192 -3.690 1.00 12.33 N ATOM 471 CA GLY A 340 8.324 40.491 -3.925 1.00 21.35 C ATOM 472 C GLY A 340 7.728 41.199 -5.125 1.00 11.23 C ATOM 473 O GLY A 340 7.611 42.424 -5.136 1.00 3.21 O ATOM 0 H GLY A 340 8.248 38.401 -4.058 1.00 12.33 H new ATOM 0 HA2 GLY A 340 8.196 41.113 -3.039 1.00 21.35 H new ATOM 0 HA3 GLY A 340 9.396 40.368 -4.076 1.00 21.35 H new ATOM 477 N ALA A 341 7.351 40.427 -6.139 1.00 11.14 N ATOM 478 CA ALA A 341 6.764 40.988 -7.349 1.00 15.32 C ATOM 479 C ALA A 341 5.573 41.882 -7.018 1.00 3.33 C ATOM 480 O ALA A 341 5.550 43.059 -7.378 1.00 0.42 O ATOM 481 CB ALA A 341 6.342 39.875 -8.296 1.00 63.13 C ATOM 0 H ALA A 341 7.442 39.411 -6.146 1.00 11.14 H new ATOM 0 HA ALA A 341 7.521 41.601 -7.839 1.00 15.32 H new ATOM 0 HB1 ALA A 341 5.905 40.309 -9.196 1.00 63.13 H new ATOM 0 HB2 ALA A 341 7.213 39.278 -8.567 1.00 63.13 H new ATOM 0 HB3 ALA A 341 5.605 39.239 -7.805 1.00 63.13 H new ATOM 487 N ARG A 342 4.587 41.316 -6.331 1.00 33.22 N ATOM 488 CA ARG A 342 3.392 42.062 -5.953 1.00 63.32 C ATOM 489 C ARG A 342 3.762 43.332 -5.194 1.00 3.52 C ATOM 490 O ARG A 342 3.116 44.368 -5.347 1.00 15.22 O ATOM 491 CB ARG A 342 2.472 41.192 -5.095 1.00 71.20 C ATOM 492 CG ARG A 342 3.197 40.449 -3.985 1.00 30.13 C ATOM 493 CD ARG A 342 2.541 40.689 -2.634 1.00 24.53 C ATOM 494 NE ARG A 342 1.595 39.631 -2.289 1.00 63.41 N ATOM 495 CZ ARG A 342 0.629 39.774 -1.389 1.00 72.42 C ATOM 496 NH1 ARG A 342 0.481 40.924 -0.747 1.00 42.11 N ATOM 497 NH2 ARG A 342 -0.193 38.764 -1.130 1.00 40.44 N ATOM 0 H ARG A 342 4.591 40.343 -6.024 1.00 33.22 H new ATOM 0 HA ARG A 342 2.867 42.344 -6.865 1.00 63.32 H new ATOM 0 HB2 ARG A 342 1.698 41.821 -4.655 1.00 71.20 H new ATOM 0 HB3 ARG A 342 1.968 40.469 -5.736 1.00 71.20 H new ATOM 0 HG2 ARG A 342 3.203 39.381 -4.204 1.00 30.13 H new ATOM 0 HG3 ARG A 342 4.237 40.772 -3.948 1.00 30.13 H new ATOM 0 HD2 ARG A 342 3.310 40.753 -1.864 1.00 24.53 H new ATOM 0 HD3 ARG A 342 2.023 41.648 -2.648 1.00 24.53 H new ATOM 0 HE ARG A 342 1.681 38.733 -2.765 1.00 63.41 H new ATOM 0 HH11 ARG A 342 1.110 41.702 -0.944 1.00 42.11 H new ATOM 0 HH12 ARG A 342 -0.262 41.031 -0.056 1.00 42.11 H new ATOM 0 HH21 ARG A 342 -0.083 37.878 -1.622 1.00 40.44 H new ATOM 0 HH22 ARG A 342 -0.935 38.875 -0.439 1.00 40.44 H new ATOM 511 N GLN A 343 4.806 43.244 -4.376 1.00 10.14 N ATOM 512 CA GLN A 343 5.261 44.387 -3.592 1.00 35.51 C ATOM 513 C GLN A 343 5.816 45.481 -4.497 1.00 55.40 C ATOM 514 O GLN A 343 5.501 46.659 -4.327 1.00 3.51 O ATOM 515 CB GLN A 343 6.327 43.950 -2.586 1.00 45.04 C ATOM 516 CG GLN A 343 5.764 43.211 -1.383 1.00 52.34 C ATOM 517 CD GLN A 343 5.185 44.148 -0.342 1.00 1.44 C ATOM 518 OE1 GLN A 343 5.043 45.348 -0.580 1.00 13.12 O ATOM 519 NE2 GLN A 343 4.847 43.605 0.822 1.00 65.42 N ATOM 0 H GLN A 343 5.353 42.394 -4.239 1.00 10.14 H new ATOM 0 HA GLN A 343 4.404 44.789 -3.051 1.00 35.51 H new ATOM 0 HB2 GLN A 343 7.049 43.308 -3.091 1.00 45.04 H new ATOM 0 HB3 GLN A 343 6.870 44.830 -2.240 1.00 45.04 H new ATOM 0 HG2 GLN A 343 4.989 42.520 -1.716 1.00 52.34 H new ATOM 0 HG3 GLN A 343 6.552 42.611 -0.928 1.00 52.34 H new ATOM 0 HE21 GLN A 343 4.982 42.606 0.977 1.00 65.42 H new ATOM 0 HE22 GLN A 343 4.453 44.187 1.561 1.00 65.42 H new ATOM 528 N ARG A 344 6.642 45.084 -5.459 1.00 4.52 N ATOM 529 CA ARG A 344 7.243 46.032 -6.390 1.00 15.52 C ATOM 530 C ARG A 344 6.174 46.908 -7.038 1.00 62.13 C ATOM 531 O ARG A 344 6.397 48.091 -7.292 1.00 74.13 O ATOM 532 CB ARG A 344 8.032 45.290 -7.469 1.00 25.41 C ATOM 533 CG ARG A 344 9.116 46.133 -8.120 1.00 5.35 C ATOM 534 CD ARG A 344 9.589 45.520 -9.429 1.00 11.44 C ATOM 535 NE ARG A 344 10.331 46.478 -10.245 1.00 34.41 N ATOM 536 CZ ARG A 344 11.564 46.883 -9.964 1.00 12.14 C ATOM 537 NH1 ARG A 344 12.190 46.417 -8.892 1.00 65.34 N ATOM 538 NH2 ARG A 344 12.173 47.757 -10.755 1.00 60.21 N ATOM 0 H ARG A 344 6.911 44.112 -5.614 1.00 4.52 H new ATOM 0 HA ARG A 344 7.923 46.673 -5.829 1.00 15.52 H new ATOM 0 HB2 ARG A 344 8.489 44.404 -7.028 1.00 25.41 H new ATOM 0 HB3 ARG A 344 7.342 44.944 -8.238 1.00 25.41 H new ATOM 0 HG2 ARG A 344 8.735 47.138 -8.304 1.00 5.35 H new ATOM 0 HG3 ARG A 344 9.960 46.232 -7.438 1.00 5.35 H new ATOM 0 HD2 ARG A 344 10.221 44.657 -9.218 1.00 11.44 H new ATOM 0 HD3 ARG A 344 8.729 45.155 -9.990 1.00 11.44 H new ATOM 0 HE ARG A 344 9.877 46.857 -11.076 1.00 34.41 H new ATOM 0 HH11 ARG A 344 11.724 45.746 -8.281 1.00 65.34 H new ATOM 0 HH12 ARG A 344 13.137 46.730 -8.678 1.00 65.34 H new ATOM 0 HH21 ARG A 344 11.694 48.118 -11.580 1.00 60.21 H new ATOM 0 HH22 ARG A 344 13.120 48.067 -10.538 1.00 60.21 H new ATOM 552 N GLY A 345 5.013 46.317 -7.304 1.00 61.12 N ATOM 553 CA GLY A 345 3.928 47.057 -7.921 1.00 41.23 C ATOM 554 C GLY A 345 3.570 48.312 -7.150 1.00 43.22 C ATOM 555 O GLY A 345 3.447 49.392 -7.730 1.00 15.02 O ATOM 0 H GLY A 345 4.805 45.339 -7.103 1.00 61.12 H new ATOM 0 HA2 GLY A 345 4.209 47.327 -8.939 1.00 41.23 H new ATOM 0 HA3 GLY A 345 3.050 46.416 -7.993 1.00 41.23 H new ATOM 559 N LEU A 346 3.402 48.172 -5.840 1.00 71.30 N ATOM 560 CA LEU A 346 3.054 49.303 -4.988 1.00 2.34 C ATOM 561 C LEU A 346 4.293 50.119 -4.633 1.00 24.23 C ATOM 562 O LEU A 346 5.400 49.586 -4.562 1.00 42.44 O ATOM 563 CB LEU A 346 2.369 48.814 -3.711 1.00 20.44 C ATOM 564 CG LEU A 346 0.867 48.547 -3.815 1.00 11.13 C ATOM 565 CD1 LEU A 346 0.125 49.816 -4.205 1.00 4.34 C ATOM 566 CD2 LEU A 346 0.591 47.436 -4.818 1.00 14.45 C ATOM 0 H LEU A 346 3.501 47.286 -5.345 1.00 71.30 H new ATOM 0 HA LEU A 346 2.366 49.943 -5.540 1.00 2.34 H new ATOM 0 HB2 LEU A 346 2.859 47.896 -3.388 1.00 20.44 H new ATOM 0 HB3 LEU A 346 2.533 49.555 -2.928 1.00 20.44 H new ATOM 0 HG LEU A 346 0.506 48.225 -2.838 1.00 11.13 H new ATOM 0 HD11 LEU A 346 -0.942 49.607 -4.274 1.00 4.34 H new ATOM 0 HD12 LEU A 346 0.296 50.584 -3.451 1.00 4.34 H new ATOM 0 HD13 LEU A 346 0.489 50.168 -5.170 1.00 4.34 H new ATOM 0 HD21 LEU A 346 -0.483 47.259 -4.879 1.00 14.45 H new ATOM 0 HD22 LEU A 346 0.967 47.729 -5.798 1.00 14.45 H new ATOM 0 HD23 LEU A 346 1.091 46.523 -4.496 1.00 14.45 H new ATOM 578 N GLY A 347 4.099 51.415 -4.408 1.00 34.33 N ATOM 579 CA GLY A 347 5.209 52.282 -4.061 1.00 12.55 C ATOM 580 C GLY A 347 6.177 52.474 -5.211 1.00 55.43 C ATOM 581 O GLY A 347 7.384 52.301 -5.051 1.00 25.43 O ATOM 0 H GLY A 347 3.192 51.880 -4.460 1.00 34.33 H new ATOM 0 HA2 GLY A 347 4.824 53.253 -3.749 1.00 12.55 H new ATOM 0 HA3 GLY A 347 5.742 51.861 -3.208 1.00 12.55 H new TER 585 GLY A 347