USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 271 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 314 THR OG1 : rot 180:sc= 0 USER MOD Single : A 316 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 320 GLN : amide:sc= -2.34 K(o=-2.3,f=-9.8!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.047 X(o=-0.047,f=-0.16) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -0.0774 X(o=-0.077,f=0) USER MOD Single : A 343 GLN : amide:sc= -0.0444 X(o=-0.044,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 312 7.172 -4.143 -10.141 1.00 31.53 N ATOM 40 CA GLU A 312 6.566 -3.384 -11.228 1.00 13.32 C ATOM 41 C GLU A 312 5.915 -2.107 -10.703 1.00 34.45 C ATOM 42 O GLU A 312 6.370 -1.001 -10.992 1.00 31.41 O ATOM 43 CB GLU A 312 5.526 -4.237 -11.958 1.00 1.51 C ATOM 44 CG GLU A 312 6.068 -5.567 -12.451 1.00 64.43 C ATOM 45 CD GLU A 312 6.904 -5.427 -13.709 1.00 3.44 C ATOM 46 OE1 GLU A 312 7.969 -4.777 -13.643 1.00 12.42 O ATOM 47 OE2 GLU A 312 6.494 -5.966 -14.758 1.00 5.34 O ATOM 0 HA GLU A 312 7.355 -3.108 -11.928 1.00 13.32 H new ATOM 0 HB2 GLU A 312 4.686 -4.422 -11.289 1.00 1.51 H new ATOM 0 HB3 GLU A 312 5.139 -3.675 -12.808 1.00 1.51 H new ATOM 0 HG2 GLU A 312 6.673 -6.022 -11.666 1.00 64.43 H new ATOM 0 HG3 GLU A 312 5.236 -6.244 -12.646 1.00 64.43 H new ATOM 54 N ALA A 313 4.846 -2.270 -9.929 1.00 61.33 N ATOM 55 CA ALA A 313 4.133 -1.133 -9.362 1.00 52.44 C ATOM 56 C ALA A 313 5.085 -0.204 -8.617 1.00 41.30 C ATOM 57 O ALA A 313 4.924 1.017 -8.640 1.00 50.10 O ATOM 58 CB ALA A 313 3.026 -1.612 -8.435 1.00 24.44 C ATOM 0 H ALA A 313 4.455 -3.179 -9.681 1.00 61.33 H new ATOM 0 HA ALA A 313 3.686 -0.571 -10.182 1.00 52.44 H new ATOM 0 HB1 ALA A 313 2.502 -0.751 -8.019 1.00 24.44 H new ATOM 0 HB2 ALA A 313 2.323 -2.228 -8.996 1.00 24.44 H new ATOM 0 HB3 ALA A 313 3.458 -2.200 -7.625 1.00 24.44 H new ATOM 64 N THR A 314 6.078 -0.789 -7.955 1.00 24.00 N ATOM 65 CA THR A 314 7.056 -0.014 -7.201 1.00 35.00 C ATOM 66 C THR A 314 7.667 1.086 -8.061 1.00 71.02 C ATOM 67 O THR A 314 7.958 2.179 -7.574 1.00 34.40 O ATOM 68 CB THR A 314 8.183 -0.910 -6.656 1.00 24.23 C ATOM 69 OG1 THR A 314 7.639 -1.908 -5.784 1.00 52.45 O ATOM 70 CG2 THR A 314 9.217 -0.083 -5.905 1.00 75.51 C ATOM 0 H THR A 314 6.226 -1.798 -7.926 1.00 24.00 H new ATOM 0 HA THR A 314 6.524 0.437 -6.363 1.00 35.00 H new ATOM 0 HB THR A 314 8.672 -1.394 -7.501 1.00 24.23 H new ATOM 0 HG1 THR A 314 8.363 -2.474 -5.443 1.00 52.45 H new ATOM 0 HG21 THR A 314 10.003 -0.738 -5.529 1.00 75.51 H new ATOM 0 HG22 THR A 314 9.651 0.656 -6.579 1.00 75.51 H new ATOM 0 HG23 THR A 314 8.738 0.426 -5.069 1.00 75.51 H new ATOM 78 N ARG A 315 7.859 0.791 -9.343 1.00 31.33 N ATOM 79 CA ARG A 315 8.436 1.755 -10.271 1.00 5.43 C ATOM 80 C ARG A 315 7.526 2.969 -10.430 1.00 13.31 C ATOM 81 O ARG A 315 7.892 4.084 -10.058 1.00 74.13 O ATOM 82 CB ARG A 315 8.677 1.103 -11.633 1.00 45.13 C ATOM 83 CG ARG A 315 9.192 2.069 -12.688 1.00 64.43 C ATOM 84 CD ARG A 315 10.567 2.609 -12.326 1.00 32.24 C ATOM 85 NE ARG A 315 11.566 1.547 -12.236 1.00 12.44 N ATOM 86 CZ ARG A 315 12.860 1.771 -12.039 1.00 44.32 C ATOM 87 NH1 ARG A 315 13.310 3.012 -11.912 1.00 42.05 N ATOM 88 NH2 ARG A 315 13.708 0.753 -11.969 1.00 31.33 N ATOM 0 H ARG A 315 7.623 -0.108 -9.762 1.00 31.33 H new ATOM 0 HA ARG A 315 9.390 2.089 -9.862 1.00 5.43 H new ATOM 0 HB2 ARG A 315 9.394 0.290 -11.516 1.00 45.13 H new ATOM 0 HB3 ARG A 315 7.746 0.658 -11.983 1.00 45.13 H new ATOM 0 HG2 ARG A 315 9.241 1.564 -13.653 1.00 64.43 H new ATOM 0 HG3 ARG A 315 8.492 2.897 -12.797 1.00 64.43 H new ATOM 0 HD2 ARG A 315 10.879 3.338 -13.074 1.00 32.24 H new ATOM 0 HD3 ARG A 315 10.510 3.135 -11.373 1.00 32.24 H new ATOM 0 HE ARG A 315 11.253 0.581 -12.330 1.00 12.44 H new ATOM 0 HH11 ARG A 315 12.662 3.798 -11.966 1.00 42.05 H new ATOM 0 HH12 ARG A 315 14.304 3.181 -11.761 1.00 42.05 H new ATOM 0 HH21 ARG A 315 13.366 -0.203 -12.067 1.00 31.33 H new ATOM 0 HH22 ARG A 315 14.702 0.926 -11.818 1.00 31.33 H new ATOM 102 N GLN A 316 6.339 2.744 -10.985 1.00 22.42 N ATOM 103 CA GLN A 316 5.377 3.819 -11.194 1.00 3.30 C ATOM 104 C GLN A 316 5.121 4.580 -9.897 1.00 74.12 C ATOM 105 O GLN A 316 4.954 5.799 -9.904 1.00 53.10 O ATOM 106 CB GLN A 316 4.063 3.258 -11.739 1.00 32.35 C ATOM 107 CG GLN A 316 3.473 2.150 -10.881 1.00 32.11 C ATOM 108 CD GLN A 316 2.134 1.662 -11.398 1.00 13.14 C ATOM 109 OE1 GLN A 316 1.094 2.265 -11.129 1.00 4.25 O ATOM 110 NE2 GLN A 316 2.151 0.565 -12.145 1.00 23.52 N ATOM 0 H GLN A 316 6.021 1.827 -11.298 1.00 22.42 H new ATOM 0 HA GLN A 316 5.797 4.512 -11.923 1.00 3.30 H new ATOM 0 HB2 GLN A 316 3.338 4.068 -11.821 1.00 32.35 H new ATOM 0 HB3 GLN A 316 4.230 2.876 -12.746 1.00 32.35 H new ATOM 0 HG2 GLN A 316 4.171 1.313 -10.844 1.00 32.11 H new ATOM 0 HG3 GLN A 316 3.354 2.511 -9.859 1.00 32.11 H new ATOM 0 HE21 GLN A 316 3.035 0.097 -12.343 1.00 23.52 H new ATOM 0 HE22 GLN A 316 1.280 0.190 -12.521 1.00 23.52 H new ATOM 119 N ALA A 317 5.090 3.852 -8.786 1.00 22.40 N ATOM 120 CA ALA A 317 4.855 4.458 -7.481 1.00 65.14 C ATOM 121 C ALA A 317 6.056 5.287 -7.037 1.00 72.04 C ATOM 122 O ALA A 317 5.903 6.309 -6.369 1.00 22.44 O ATOM 123 CB ALA A 317 4.542 3.385 -6.449 1.00 71.24 C ATOM 0 H ALA A 317 5.225 2.841 -8.763 1.00 22.40 H new ATOM 0 HA ALA A 317 3.997 5.125 -7.567 1.00 65.14 H new ATOM 0 HB1 ALA A 317 4.369 3.852 -5.480 1.00 71.24 H new ATOM 0 HB2 ALA A 317 3.650 2.837 -6.753 1.00 71.24 H new ATOM 0 HB3 ALA A 317 5.383 2.696 -6.374 1.00 71.24 H new ATOM 129 N ALA A 318 7.250 4.840 -7.413 1.00 74.23 N ATOM 130 CA ALA A 318 8.476 5.541 -7.055 1.00 12.53 C ATOM 131 C ALA A 318 8.602 6.853 -7.822 1.00 43.12 C ATOM 132 O ALA A 318 9.174 7.822 -7.324 1.00 24.01 O ATOM 133 CB ALA A 318 9.686 4.656 -7.315 1.00 53.51 C ATOM 0 H ALA A 318 7.394 3.995 -7.966 1.00 74.23 H new ATOM 0 HA ALA A 318 8.434 5.775 -5.991 1.00 12.53 H new ATOM 0 HB1 ALA A 318 10.595 5.193 -7.043 1.00 53.51 H new ATOM 0 HB2 ALA A 318 9.608 3.748 -6.717 1.00 53.51 H new ATOM 0 HB3 ALA A 318 9.723 4.392 -8.372 1.00 53.51 H new ATOM 139 N ALA A 319 8.065 6.876 -9.038 1.00 3.24 N ATOM 140 CA ALA A 319 8.117 8.069 -9.873 1.00 43.51 C ATOM 141 C ALA A 319 6.935 8.990 -9.590 1.00 2.14 C ATOM 142 O ALA A 319 7.106 10.194 -9.402 1.00 44.35 O ATOM 143 CB ALA A 319 8.147 7.683 -11.344 1.00 74.34 C ATOM 0 H ALA A 319 7.589 6.082 -9.466 1.00 3.24 H new ATOM 0 HA ALA A 319 9.032 8.611 -9.632 1.00 43.51 H new ATOM 0 HB1 ALA A 319 8.186 8.584 -11.956 1.00 74.34 H new ATOM 0 HB2 ALA A 319 9.028 7.072 -11.542 1.00 74.34 H new ATOM 0 HB3 ALA A 319 7.249 7.116 -11.590 1.00 74.34 H new ATOM 149 N GLN A 320 5.737 8.415 -9.560 1.00 42.33 N ATOM 150 CA GLN A 320 4.527 9.186 -9.301 1.00 72.10 C ATOM 151 C GLN A 320 4.674 10.020 -8.033 1.00 32.03 C ATOM 152 O GLN A 320 4.105 11.106 -7.924 1.00 23.21 O ATOM 153 CB GLN A 320 3.320 8.254 -9.176 1.00 24.23 C ATOM 154 CG GLN A 320 3.218 7.569 -7.822 1.00 44.51 C ATOM 155 CD GLN A 320 2.399 8.366 -6.826 1.00 4.13 C ATOM 156 OE1 GLN A 320 2.944 9.122 -6.021 1.00 12.42 O ATOM 157 NE2 GLN A 320 1.083 8.201 -6.874 1.00 73.45 N ATOM 0 H GLN A 320 5.579 7.419 -9.712 1.00 42.33 H new ATOM 0 HA GLN A 320 4.370 9.862 -10.142 1.00 72.10 H new ATOM 0 HB2 GLN A 320 2.410 8.826 -9.354 1.00 24.23 H new ATOM 0 HB3 GLN A 320 3.376 7.494 -9.955 1.00 24.23 H new ATOM 0 HG2 GLN A 320 2.769 6.584 -7.950 1.00 44.51 H new ATOM 0 HG3 GLN A 320 4.220 7.413 -7.421 1.00 44.51 H new ATOM 0 HE21 GLN A 320 0.673 7.564 -7.557 1.00 73.45 H new ATOM 0 HE22 GLN A 320 0.481 8.711 -6.227 1.00 73.45 H new ATOM 166 N GLU A 321 5.440 9.504 -7.076 1.00 51.25 N ATOM 167 CA GLU A 321 5.660 10.202 -5.815 1.00 51.02 C ATOM 168 C GLU A 321 6.721 11.287 -5.972 1.00 2.23 C ATOM 169 O GLU A 321 6.631 12.351 -5.359 1.00 74.43 O ATOM 170 CB GLU A 321 6.082 9.213 -4.727 1.00 4.34 C ATOM 171 CG GLU A 321 7.430 8.561 -4.987 1.00 34.52 C ATOM 172 CD GLU A 321 7.838 7.605 -3.883 1.00 32.23 C ATOM 173 OE1 GLU A 321 8.998 7.684 -3.428 1.00 30.42 O ATOM 174 OE2 GLU A 321 6.996 6.778 -3.473 1.00 60.14 O ATOM 0 H GLU A 321 5.918 8.606 -7.150 1.00 51.25 H new ATOM 0 HA GLU A 321 4.723 10.675 -5.522 1.00 51.02 H new ATOM 0 HB2 GLU A 321 6.118 9.733 -3.769 1.00 4.34 H new ATOM 0 HB3 GLU A 321 5.323 8.436 -4.640 1.00 4.34 H new ATOM 0 HG2 GLU A 321 7.392 8.022 -5.934 1.00 34.52 H new ATOM 0 HG3 GLU A 321 8.190 9.335 -5.091 1.00 34.52 H new ATOM 181 N GLU A 322 7.727 11.009 -6.796 1.00 14.12 N ATOM 182 CA GLU A 322 8.806 11.961 -7.032 1.00 31.15 C ATOM 183 C GLU A 322 8.307 13.162 -7.830 1.00 2.24 C ATOM 184 O GLU A 322 8.533 14.311 -7.448 1.00 71.15 O ATOM 185 CB GLU A 322 9.959 11.284 -7.775 1.00 43.00 C ATOM 186 CG GLU A 322 11.134 12.209 -8.048 1.00 34.13 C ATOM 187 CD GLU A 322 12.224 11.542 -8.864 1.00 1.15 C ATOM 188 OE1 GLU A 322 12.584 12.086 -9.929 1.00 0.14 O ATOM 189 OE2 GLU A 322 12.717 10.477 -8.438 1.00 23.04 O ATOM 0 H GLU A 322 7.817 10.133 -7.311 1.00 14.12 H new ATOM 0 HA GLU A 322 9.164 12.313 -6.065 1.00 31.15 H new ATOM 0 HB2 GLU A 322 10.306 10.432 -7.190 1.00 43.00 H new ATOM 0 HB3 GLU A 322 9.589 10.891 -8.722 1.00 43.00 H new ATOM 0 HG2 GLU A 322 10.780 13.094 -8.577 1.00 34.13 H new ATOM 0 HG3 GLU A 322 11.551 12.549 -7.100 1.00 34.13 H new ATOM 196 N ARG A 323 7.629 12.888 -8.939 1.00 32.21 N ATOM 197 CA ARG A 323 7.100 13.945 -9.792 1.00 53.01 C ATOM 198 C ARG A 323 6.179 14.871 -9.003 1.00 3.35 C ATOM 199 O ARG A 323 6.432 16.072 -8.897 1.00 14.32 O ATOM 200 CB ARG A 323 6.341 13.342 -10.976 1.00 11.41 C ATOM 201 CG ARG A 323 7.168 12.366 -11.796 1.00 32.42 C ATOM 202 CD ARG A 323 6.736 12.357 -13.254 1.00 32.23 C ATOM 203 NE ARG A 323 6.911 13.662 -13.884 1.00 41.34 N ATOM 204 CZ ARG A 323 6.781 13.871 -15.190 1.00 1.22 C ATOM 205 NH1 ARG A 323 6.476 12.866 -15.998 1.00 71.33 N ATOM 206 NH2 ARG A 323 6.956 15.088 -15.689 1.00 1.22 N ATOM 0 H ARG A 323 7.433 11.943 -9.268 1.00 32.21 H new ATOM 0 HA ARG A 323 7.940 14.529 -10.167 1.00 53.01 H new ATOM 0 HB2 ARG A 323 5.453 12.830 -10.605 1.00 11.41 H new ATOM 0 HB3 ARG A 323 5.997 14.148 -11.624 1.00 11.41 H new ATOM 0 HG2 ARG A 323 8.222 12.635 -11.729 1.00 32.42 H new ATOM 0 HG3 ARG A 323 7.068 11.364 -11.380 1.00 32.42 H new ATOM 0 HD2 ARG A 323 7.314 11.611 -13.799 1.00 32.23 H new ATOM 0 HD3 ARG A 323 5.689 12.060 -13.320 1.00 32.23 H new ATOM 0 HE ARG A 323 7.146 14.457 -13.289 1.00 41.34 H new ATOM 0 HH11 ARG A 323 6.340 11.929 -15.618 1.00 71.33 H new ATOM 0 HH12 ARG A 323 6.377 13.029 -17.000 1.00 71.33 H new ATOM 0 HH21 ARG A 323 7.191 15.864 -15.070 1.00 1.22 H new ATOM 0 HH22 ARG A 323 6.856 15.247 -16.691 1.00 1.22 H new ATOM 220 N LEU A 324 5.112 14.306 -8.450 1.00 73.45 N ATOM 221 CA LEU A 324 4.153 15.080 -7.671 1.00 14.35 C ATOM 222 C LEU A 324 4.854 15.855 -6.559 1.00 52.03 C ATOM 223 O LEU A 324 4.542 17.019 -6.309 1.00 23.13 O ATOM 224 CB LEU A 324 3.089 14.158 -7.072 1.00 52.31 C ATOM 225 CG LEU A 324 1.837 13.938 -7.922 1.00 31.41 C ATOM 226 CD1 LEU A 324 2.206 13.344 -9.273 1.00 3.34 C ATOM 227 CD2 LEU A 324 0.850 13.037 -7.194 1.00 30.14 C ATOM 0 H LEU A 324 4.889 13.314 -8.527 1.00 73.45 H new ATOM 0 HA LEU A 324 3.672 15.794 -8.340 1.00 14.35 H new ATOM 0 HB2 LEU A 324 3.546 13.188 -6.876 1.00 52.31 H new ATOM 0 HB3 LEU A 324 2.783 14.567 -6.109 1.00 52.31 H new ATOM 0 HG LEU A 324 1.361 14.904 -8.090 1.00 31.41 H new ATOM 0 HD11 LEU A 324 1.302 13.195 -9.864 1.00 3.34 H new ATOM 0 HD12 LEU A 324 2.875 14.025 -9.799 1.00 3.34 H new ATOM 0 HD13 LEU A 324 2.705 12.386 -9.125 1.00 3.34 H new ATOM 0 HD21 LEU A 324 -0.035 12.891 -7.814 1.00 30.14 H new ATOM 0 HD22 LEU A 324 1.317 12.072 -6.995 1.00 30.14 H new ATOM 0 HD23 LEU A 324 0.560 13.501 -6.251 1.00 30.14 H new ATOM 239 N ALA A 325 5.803 15.202 -5.898 1.00 24.32 N ATOM 240 CA ALA A 325 6.552 15.830 -4.817 1.00 11.44 C ATOM 241 C ALA A 325 7.204 17.128 -5.282 1.00 55.11 C ATOM 242 O ALA A 325 7.180 18.135 -4.574 1.00 20.45 O ATOM 243 CB ALA A 325 7.604 14.873 -4.277 1.00 2.11 C ATOM 0 H ALA A 325 6.072 14.237 -6.092 1.00 24.32 H new ATOM 0 HA ALA A 325 5.852 16.072 -4.017 1.00 11.44 H new ATOM 0 HB1 ALA A 325 8.155 15.356 -3.470 1.00 2.11 H new ATOM 0 HB2 ALA A 325 7.118 13.975 -3.897 1.00 2.11 H new ATOM 0 HB3 ALA A 325 8.294 14.602 -5.076 1.00 2.11 H new ATOM 249 N ASP A 326 7.785 17.097 -6.476 1.00 52.41 N ATOM 250 CA ASP A 326 8.443 18.272 -7.036 1.00 60.15 C ATOM 251 C ASP A 326 7.446 19.408 -7.242 1.00 35.33 C ATOM 252 O ASP A 326 7.735 20.565 -6.937 1.00 3.52 O ATOM 253 CB ASP A 326 9.116 17.921 -8.365 1.00 14.04 C ATOM 254 CG ASP A 326 10.154 18.946 -8.776 1.00 52.24 C ATOM 255 OD1 ASP A 326 10.671 18.845 -9.909 1.00 3.23 O ATOM 256 OD2 ASP A 326 10.448 19.850 -7.967 1.00 23.12 O ATOM 0 H ASP A 326 7.814 16.272 -7.075 1.00 52.41 H new ATOM 0 HA ASP A 326 9.203 18.604 -6.328 1.00 60.15 H new ATOM 0 HB2 ASP A 326 9.589 16.942 -8.282 1.00 14.04 H new ATOM 0 HB3 ASP A 326 8.357 17.844 -9.144 1.00 14.04 H new ATOM 261 N LEU A 327 6.270 19.070 -7.761 1.00 25.41 N ATOM 262 CA LEU A 327 5.229 20.061 -8.008 1.00 44.12 C ATOM 263 C LEU A 327 4.896 20.830 -6.734 1.00 34.34 C ATOM 264 O LEU A 327 4.616 22.027 -6.774 1.00 41.45 O ATOM 265 CB LEU A 327 3.971 19.383 -8.553 1.00 41.30 C ATOM 266 CG LEU A 327 3.855 19.308 -10.076 1.00 12.52 C ATOM 267 CD1 LEU A 327 2.607 18.538 -10.479 1.00 0.03 C ATOM 268 CD2 LEU A 327 3.839 20.706 -10.679 1.00 20.42 C ATOM 0 H LEU A 327 6.014 18.117 -8.019 1.00 25.41 H new ATOM 0 HA LEU A 327 5.603 20.768 -8.749 1.00 44.12 H new ATOM 0 HB2 LEU A 327 3.928 18.369 -8.155 1.00 41.30 H new ATOM 0 HB3 LEU A 327 3.100 19.914 -8.168 1.00 41.30 H new ATOM 0 HG LEU A 327 4.725 18.777 -10.462 1.00 12.52 H new ATOM 0 HD11 LEU A 327 2.541 18.495 -11.566 1.00 0.03 H new ATOM 0 HD12 LEU A 327 2.659 17.526 -10.078 1.00 0.03 H new ATOM 0 HD13 LEU A 327 1.725 19.041 -10.082 1.00 0.03 H new ATOM 0 HD21 LEU A 327 3.756 20.634 -11.763 1.00 20.42 H new ATOM 0 HD22 LEU A 327 2.988 21.262 -10.286 1.00 20.42 H new ATOM 0 HD23 LEU A 327 4.762 21.225 -10.420 1.00 20.42 H new ATOM 280 N ALA A 328 4.929 20.133 -5.603 1.00 31.44 N ATOM 281 CA ALA A 328 4.634 20.750 -4.316 1.00 1.24 C ATOM 282 C ALA A 328 5.473 22.006 -4.105 1.00 13.34 C ATOM 283 O ALA A 328 4.977 23.019 -3.612 1.00 1.44 O ATOM 284 CB ALA A 328 4.873 19.758 -3.187 1.00 51.11 C ATOM 0 H ALA A 328 5.157 19.140 -5.552 1.00 31.44 H new ATOM 0 HA ALA A 328 3.583 21.041 -4.313 1.00 1.24 H new ATOM 0 HB1 ALA A 328 4.649 20.233 -2.232 1.00 51.11 H new ATOM 0 HB2 ALA A 328 4.227 18.891 -3.322 1.00 51.11 H new ATOM 0 HB3 ALA A 328 5.915 19.439 -3.198 1.00 51.11 H new ATOM 290 N SER A 329 6.746 21.932 -4.480 1.00 54.53 N ATOM 291 CA SER A 329 7.654 23.063 -4.328 1.00 23.32 C ATOM 292 C SER A 329 7.374 24.131 -5.381 1.00 23.25 C ATOM 293 O SER A 329 7.477 25.327 -5.109 1.00 44.34 O ATOM 294 CB SER A 329 9.107 22.594 -4.434 1.00 11.21 C ATOM 295 OG SER A 329 9.968 23.427 -3.677 1.00 11.11 O ATOM 0 H SER A 329 7.172 21.101 -4.891 1.00 54.53 H new ATOM 0 HA SER A 329 7.491 23.499 -3.342 1.00 23.32 H new ATOM 0 HB2 SER A 329 9.187 21.566 -4.081 1.00 11.21 H new ATOM 0 HB3 SER A 329 9.418 22.597 -5.479 1.00 11.21 H new ATOM 0 HG SER A 329 10.890 23.106 -3.760 1.00 11.11 H new ATOM 301 N ASP A 330 7.020 23.689 -6.582 1.00 51.32 N ATOM 302 CA ASP A 330 6.724 24.606 -7.677 1.00 14.11 C ATOM 303 C ASP A 330 5.695 25.648 -7.250 1.00 13.24 C ATOM 304 O ASP A 330 5.904 26.850 -7.422 1.00 74.23 O ATOM 305 CB ASP A 330 6.210 23.833 -8.893 1.00 4.31 C ATOM 306 CG ASP A 330 6.263 24.655 -10.166 1.00 2.33 C ATOM 307 OD1 ASP A 330 5.221 25.229 -10.546 1.00 32.04 O ATOM 308 OD2 ASP A 330 7.347 24.726 -10.782 1.00 21.45 O ATOM 0 H ASP A 330 6.931 22.702 -6.823 1.00 51.32 H new ATOM 0 HA ASP A 330 7.646 25.121 -7.946 1.00 14.11 H new ATOM 0 HB2 ASP A 330 6.804 22.929 -9.023 1.00 4.31 H new ATOM 0 HB3 ASP A 330 5.183 23.516 -8.711 1.00 4.31 H new ATOM 313 N LEU A 331 4.583 25.181 -6.692 1.00 62.43 N ATOM 314 CA LEU A 331 3.520 26.072 -6.241 1.00 22.12 C ATOM 315 C LEU A 331 3.888 26.730 -4.915 1.00 10.11 C ATOM 316 O LEU A 331 3.587 27.902 -4.687 1.00 14.43 O ATOM 317 CB LEU A 331 2.208 25.299 -6.093 1.00 43.32 C ATOM 318 CG LEU A 331 2.278 24.008 -5.277 1.00 51.11 C ATOM 319 CD1 LEU A 331 1.380 24.101 -4.053 1.00 53.14 C ATOM 320 CD2 LEU A 331 1.890 22.813 -6.136 1.00 25.03 C ATOM 0 H LEU A 331 4.394 24.190 -6.541 1.00 62.43 H new ATOM 0 HA LEU A 331 3.392 26.853 -6.990 1.00 22.12 H new ATOM 0 HB2 LEU A 331 1.472 25.957 -5.632 1.00 43.32 H new ATOM 0 HB3 LEU A 331 1.838 25.056 -7.089 1.00 43.32 H new ATOM 0 HG LEU A 331 3.305 23.869 -4.939 1.00 51.11 H new ATOM 0 HD11 LEU A 331 1.443 23.173 -3.484 1.00 53.14 H new ATOM 0 HD12 LEU A 331 1.703 24.933 -3.427 1.00 53.14 H new ATOM 0 HD13 LEU A 331 0.350 24.264 -4.369 1.00 53.14 H new ATOM 0 HD21 LEU A 331 1.945 21.903 -5.539 1.00 25.03 H new ATOM 0 HD22 LEU A 331 0.872 22.944 -6.504 1.00 25.03 H new ATOM 0 HD23 LEU A 331 2.574 22.735 -6.981 1.00 25.03 H new ATOM 332 N LEU A 332 4.542 25.970 -4.044 1.00 65.54 N ATOM 333 CA LEU A 332 4.954 26.479 -2.741 1.00 2.30 C ATOM 334 C LEU A 332 5.837 27.714 -2.893 1.00 60.22 C ATOM 335 O LEU A 332 5.484 28.802 -2.437 1.00 44.55 O ATOM 336 CB LEU A 332 5.702 25.397 -1.961 1.00 20.50 C ATOM 337 CG LEU A 332 6.197 25.792 -0.569 1.00 55.43 C ATOM 338 CD1 LEU A 332 6.185 24.591 0.363 1.00 30.01 C ATOM 339 CD2 LEU A 332 7.592 26.394 -0.650 1.00 61.42 C ATOM 0 H LEU A 332 4.799 24.998 -4.217 1.00 65.54 H new ATOM 0 HA LEU A 332 4.057 26.761 -2.189 1.00 2.30 H new ATOM 0 HB2 LEU A 332 5.046 24.532 -1.859 1.00 20.50 H new ATOM 0 HB3 LEU A 332 6.560 25.079 -2.553 1.00 20.50 H new ATOM 0 HG LEU A 332 5.521 26.546 -0.164 1.00 55.43 H new ATOM 0 HD11 LEU A 332 6.540 24.892 1.349 1.00 30.01 H new ATOM 0 HD12 LEU A 332 5.169 24.205 0.446 1.00 30.01 H new ATOM 0 HD13 LEU A 332 6.837 23.814 -0.036 1.00 30.01 H new ATOM 0 HD21 LEU A 332 7.928 26.669 0.350 1.00 61.42 H new ATOM 0 HD22 LEU A 332 8.280 25.663 -1.076 1.00 61.42 H new ATOM 0 HD23 LEU A 332 7.569 27.282 -1.282 1.00 61.42 H new ATOM 351 N LEU A 333 6.985 27.538 -3.538 1.00 71.23 N ATOM 352 CA LEU A 333 7.918 28.638 -3.753 1.00 41.34 C ATOM 353 C LEU A 333 7.216 29.831 -4.395 1.00 74.50 C ATOM 354 O LEU A 333 7.526 30.982 -4.091 1.00 55.11 O ATOM 355 CB LEU A 333 9.081 28.182 -4.636 1.00 21.41 C ATOM 356 CG LEU A 333 10.484 28.455 -4.092 1.00 51.12 C ATOM 357 CD1 LEU A 333 10.866 27.413 -3.053 1.00 62.30 C ATOM 358 CD2 LEU A 333 11.500 28.479 -5.225 1.00 54.01 C ATOM 0 H LEU A 333 7.292 26.644 -3.921 1.00 71.23 H new ATOM 0 HA LEU A 333 8.306 28.947 -2.782 1.00 41.34 H new ATOM 0 HB2 LEU A 333 8.982 27.110 -4.808 1.00 21.41 H new ATOM 0 HB3 LEU A 333 8.988 28.670 -5.606 1.00 21.41 H new ATOM 0 HG LEU A 333 10.482 29.433 -3.611 1.00 51.12 H new ATOM 0 HD11 LEU A 333 11.867 27.624 -2.677 1.00 62.30 H new ATOM 0 HD12 LEU A 333 10.155 27.444 -2.228 1.00 62.30 H new ATOM 0 HD13 LEU A 333 10.850 26.423 -3.508 1.00 62.30 H new ATOM 0 HD21 LEU A 333 12.493 28.675 -4.819 1.00 54.01 H new ATOM 0 HD22 LEU A 333 11.500 27.515 -5.735 1.00 54.01 H new ATOM 0 HD23 LEU A 333 11.236 29.264 -5.934 1.00 54.01 H new ATOM 370 N GLN A 334 6.268 29.545 -5.282 1.00 15.23 N ATOM 371 CA GLN A 334 5.520 30.595 -5.965 1.00 22.44 C ATOM 372 C GLN A 334 4.780 31.476 -4.963 1.00 64.33 C ATOM 373 O GLN A 334 4.651 32.684 -5.161 1.00 62.04 O ATOM 374 CB GLN A 334 4.527 29.982 -6.954 1.00 23.33 C ATOM 375 CG GLN A 334 3.991 30.975 -7.971 1.00 55.33 C ATOM 376 CD GLN A 334 4.793 30.984 -9.258 1.00 34.03 C ATOM 377 OE1 GLN A 334 5.443 31.975 -9.591 1.00 10.13 O ATOM 378 NE2 GLN A 334 4.751 29.877 -9.989 1.00 72.52 N ATOM 0 H GLN A 334 6.000 28.597 -5.544 1.00 15.23 H new ATOM 0 HA GLN A 334 6.230 31.215 -6.512 1.00 22.44 H new ATOM 0 HB2 GLN A 334 5.012 29.161 -7.481 1.00 23.33 H new ATOM 0 HB3 GLN A 334 3.691 29.555 -6.400 1.00 23.33 H new ATOM 0 HG2 GLN A 334 2.952 30.733 -8.196 1.00 55.33 H new ATOM 0 HG3 GLN A 334 3.998 31.974 -7.536 1.00 55.33 H new ATOM 0 HE21 GLN A 334 4.199 29.079 -9.675 1.00 72.52 H new ATOM 0 HE22 GLN A 334 5.271 29.824 -10.865 1.00 72.52 H new ATOM 387 N TYR A 335 4.296 30.863 -3.889 1.00 4.24 N ATOM 388 CA TYR A 335 3.567 31.592 -2.858 1.00 32.55 C ATOM 389 C TYR A 335 4.361 32.804 -2.381 1.00 64.41 C ATOM 390 O TYR A 335 3.914 33.944 -2.510 1.00 43.12 O ATOM 391 CB TYR A 335 3.260 30.672 -1.674 1.00 71.14 C ATOM 392 CG TYR A 335 2.215 31.226 -0.732 1.00 62.31 C ATOM 393 CD1 TYR A 335 2.426 31.236 0.641 1.00 30.03 C ATOM 394 CD2 TYR A 335 1.017 31.738 -1.215 1.00 22.23 C ATOM 395 CE1 TYR A 335 1.474 31.740 1.506 1.00 1.34 C ATOM 396 CE2 TYR A 335 0.060 32.245 -0.357 1.00 44.53 C ATOM 397 CZ TYR A 335 0.293 32.244 1.002 1.00 4.32 C ATOM 398 OH TYR A 335 -0.658 32.748 1.860 1.00 62.13 O ATOM 0 H TYR A 335 4.395 29.864 -3.710 1.00 4.24 H new ATOM 0 HA TYR A 335 2.630 31.942 -3.291 1.00 32.55 H new ATOM 0 HB2 TYR A 335 2.921 29.708 -2.052 1.00 71.14 H new ATOM 0 HB3 TYR A 335 4.179 30.491 -1.117 1.00 71.14 H new ATOM 0 HD1 TYR A 335 3.350 30.843 1.039 1.00 30.03 H new ATOM 0 HD2 TYR A 335 0.831 31.740 -2.279 1.00 22.23 H new ATOM 0 HE1 TYR A 335 1.653 31.739 2.571 1.00 1.34 H new ATOM 0 HE2 TYR A 335 -0.866 32.640 -0.749 1.00 44.53 H new ATOM 0 HH TYR A 335 -1.429 33.064 1.344 1.00 62.13 H new ATOM 408 N LEU A 336 5.543 32.549 -1.830 1.00 60.32 N ATOM 409 CA LEU A 336 6.403 33.618 -1.334 1.00 73.12 C ATOM 410 C LEU A 336 7.033 34.389 -2.489 1.00 3.50 C ATOM 411 O LEU A 336 7.208 35.607 -2.415 1.00 35.42 O ATOM 412 CB LEU A 336 7.496 33.043 -0.432 1.00 63.14 C ATOM 413 CG LEU A 336 8.312 31.890 -1.018 1.00 42.05 C ATOM 414 CD1 LEU A 336 9.787 32.057 -0.686 1.00 32.51 C ATOM 415 CD2 LEU A 336 7.795 30.555 -0.504 1.00 31.24 C ATOM 0 H LEU A 336 5.928 31.611 -1.716 1.00 60.32 H new ATOM 0 HA LEU A 336 5.788 34.307 -0.754 1.00 73.12 H new ATOM 0 HB2 LEU A 336 8.181 33.848 -0.166 1.00 63.14 H new ATOM 0 HB3 LEU A 336 7.033 32.700 0.493 1.00 63.14 H new ATOM 0 HG LEU A 336 8.201 31.906 -2.102 1.00 42.05 H new ATOM 0 HD11 LEU A 336 10.352 31.227 -1.111 1.00 32.51 H new ATOM 0 HD12 LEU A 336 10.150 32.996 -1.105 1.00 32.51 H new ATOM 0 HD13 LEU A 336 9.917 32.068 0.396 1.00 32.51 H new ATOM 0 HD21 LEU A 336 8.388 29.746 -0.932 1.00 31.24 H new ATOM 0 HD22 LEU A 336 7.875 30.528 0.583 1.00 31.24 H new ATOM 0 HD23 LEU A 336 6.752 30.433 -0.794 1.00 31.24 H new ATOM 427 N LEU A 337 7.372 33.675 -3.556 1.00 72.42 N ATOM 428 CA LEU A 337 7.981 34.292 -4.729 1.00 3.21 C ATOM 429 C LEU A 337 7.117 35.434 -5.254 1.00 1.31 C ATOM 430 O LEU A 337 7.569 36.575 -5.345 1.00 0.33 O ATOM 431 CB LEU A 337 8.191 33.249 -5.828 1.00 51.31 C ATOM 432 CG LEU A 337 8.944 33.726 -7.071 1.00 21.34 C ATOM 433 CD1 LEU A 337 9.773 32.595 -7.659 1.00 23.43 C ATOM 434 CD2 LEU A 337 7.972 34.271 -8.107 1.00 3.53 C ATOM 0 H LEU A 337 7.235 32.667 -3.633 1.00 72.42 H new ATOM 0 HA LEU A 337 8.948 34.699 -4.434 1.00 3.21 H new ATOM 0 HB2 LEU A 337 8.733 32.405 -5.401 1.00 51.31 H new ATOM 0 HB3 LEU A 337 7.215 32.877 -6.139 1.00 51.31 H new ATOM 0 HG LEU A 337 9.619 34.530 -6.777 1.00 21.34 H new ATOM 0 HD11 LEU A 337 10.302 32.953 -8.543 1.00 23.43 H new ATOM 0 HD12 LEU A 337 10.495 32.250 -6.919 1.00 23.43 H new ATOM 0 HD13 LEU A 337 9.117 31.770 -7.938 1.00 23.43 H new ATOM 0 HD21 LEU A 337 8.525 34.606 -8.984 1.00 3.53 H new ATOM 0 HD22 LEU A 337 7.272 33.487 -8.397 1.00 3.53 H new ATOM 0 HD23 LEU A 337 7.422 35.111 -7.683 1.00 3.53 H new ATOM 446 N GLN A 338 5.872 35.119 -5.596 1.00 22.51 N ATOM 447 CA GLN A 338 4.945 36.119 -6.110 1.00 54.22 C ATOM 448 C GLN A 338 4.878 37.327 -5.182 1.00 52.50 C ATOM 449 O GLN A 338 4.768 38.466 -5.635 1.00 71.24 O ATOM 450 CB GLN A 338 3.550 35.513 -6.280 1.00 3.55 C ATOM 451 CG GLN A 338 2.673 36.271 -7.264 1.00 24.24 C ATOM 452 CD GLN A 338 1.867 35.348 -8.156 1.00 40.45 C ATOM 453 OE1 GLN A 338 1.788 35.551 -9.368 1.00 43.34 O ATOM 454 NE2 GLN A 338 1.263 34.327 -7.561 1.00 15.00 N ATOM 0 H GLN A 338 5.482 34.179 -5.526 1.00 22.51 H new ATOM 0 HA GLN A 338 5.310 36.450 -7.082 1.00 54.22 H new ATOM 0 HB2 GLN A 338 3.650 34.481 -6.616 1.00 3.55 H new ATOM 0 HB3 GLN A 338 3.054 35.486 -5.310 1.00 3.55 H new ATOM 0 HG2 GLN A 338 1.994 36.922 -6.713 1.00 24.24 H new ATOM 0 HG3 GLN A 338 3.299 36.913 -7.883 1.00 24.24 H new ATOM 0 HE21 GLN A 338 1.355 34.197 -6.554 1.00 15.00 H new ATOM 0 HE22 GLN A 338 0.706 33.673 -8.111 1.00 15.00 H new ATOM 463 N GLY A 339 4.945 37.071 -3.879 1.00 13.20 N ATOM 464 CA GLY A 339 4.890 38.148 -2.907 1.00 74.15 C ATOM 465 C GLY A 339 5.952 39.201 -3.149 1.00 4.42 C ATOM 466 O GLY A 339 5.691 40.397 -3.024 1.00 52.10 O ATOM 0 H GLY A 339 5.036 36.137 -3.479 1.00 13.20 H new ATOM 0 HA2 GLY A 339 3.906 38.615 -2.941 1.00 74.15 H new ATOM 0 HA3 GLY A 339 5.013 37.736 -1.905 1.00 74.15 H new ATOM 470 N GLY A 340 7.157 38.757 -3.494 1.00 70.22 N ATOM 471 CA GLY A 340 8.246 39.683 -3.746 1.00 75.10 C ATOM 472 C GLY A 340 8.306 40.126 -5.194 1.00 41.23 C ATOM 473 O GLY A 340 8.618 41.281 -5.484 1.00 61.34 O ATOM 0 H GLY A 340 7.399 37.772 -3.604 1.00 70.22 H new ATOM 0 HA2 GLY A 340 8.131 40.558 -3.106 1.00 75.10 H new ATOM 0 HA3 GLY A 340 9.190 39.211 -3.474 1.00 75.10 H new ATOM 477 N ALA A 341 8.009 39.206 -6.106 1.00 53.21 N ATOM 478 CA ALA A 341 8.031 39.509 -7.532 1.00 35.42 C ATOM 479 C ALA A 341 7.191 40.743 -7.844 1.00 62.11 C ATOM 480 O ALA A 341 7.688 41.716 -8.412 1.00 22.33 O ATOM 481 CB ALA A 341 7.534 38.314 -8.332 1.00 60.14 C ATOM 0 H ALA A 341 7.750 38.245 -5.883 1.00 53.21 H new ATOM 0 HA ALA A 341 9.061 39.721 -7.818 1.00 35.42 H new ATOM 0 HB1 ALA A 341 7.555 38.554 -9.395 1.00 60.14 H new ATOM 0 HB2 ALA A 341 8.177 37.455 -8.140 1.00 60.14 H new ATOM 0 HB3 ALA A 341 6.513 38.076 -8.034 1.00 60.14 H new ATOM 487 N ARG A 342 5.917 40.696 -7.471 1.00 34.14 N ATOM 488 CA ARG A 342 5.008 41.810 -7.713 1.00 10.00 C ATOM 489 C ARG A 342 5.543 43.094 -7.086 1.00 13.14 C ATOM 490 O ARG A 342 5.427 44.173 -7.665 1.00 43.54 O ATOM 491 CB ARG A 342 3.620 41.495 -7.152 1.00 0.20 C ATOM 492 CG ARG A 342 2.965 40.282 -7.792 1.00 24.34 C ATOM 493 CD ARG A 342 1.494 40.183 -7.422 1.00 33.22 C ATOM 494 NE ARG A 342 1.292 39.464 -6.167 1.00 32.51 N ATOM 495 CZ ARG A 342 0.130 39.417 -5.525 1.00 53.40 C ATOM 496 NH1 ARG A 342 -0.929 40.045 -6.018 1.00 1.32 N ATOM 497 NH2 ARG A 342 0.025 38.742 -4.388 1.00 31.32 N ATOM 0 H ARG A 342 5.490 39.898 -7.000 1.00 34.14 H new ATOM 0 HA ARG A 342 4.932 41.957 -8.790 1.00 10.00 H new ATOM 0 HB2 ARG A 342 3.701 41.329 -6.078 1.00 0.20 H new ATOM 0 HB3 ARG A 342 2.975 42.362 -7.293 1.00 0.20 H new ATOM 0 HG2 ARG A 342 3.065 40.342 -8.876 1.00 24.34 H new ATOM 0 HG3 ARG A 342 3.483 39.377 -7.474 1.00 24.34 H new ATOM 0 HD2 ARG A 342 1.073 41.185 -7.337 1.00 33.22 H new ATOM 0 HD3 ARG A 342 0.953 39.677 -8.221 1.00 33.22 H new ATOM 0 HE ARG A 342 2.087 38.971 -5.761 1.00 32.51 H new ATOM 0 HH11 ARG A 342 -0.852 40.565 -6.892 1.00 1.32 H new ATOM 0 HH12 ARG A 342 -1.820 40.007 -5.523 1.00 1.32 H new ATOM 0 HH21 ARG A 342 0.837 38.258 -4.005 1.00 31.32 H new ATOM 0 HH22 ARG A 342 -0.868 38.707 -3.896 1.00 31.32 H new ATOM 511 N GLN A 343 6.127 42.968 -5.898 1.00 74.14 N ATOM 512 CA GLN A 343 6.678 44.119 -5.192 1.00 74.35 C ATOM 513 C GLN A 343 7.812 44.755 -5.990 1.00 34.43 C ATOM 514 O GLN A 343 7.779 45.948 -6.290 1.00 60.01 O ATOM 515 CB GLN A 343 7.182 43.702 -3.810 1.00 14.04 C ATOM 516 CG GLN A 343 6.077 43.571 -2.774 1.00 30.05 C ATOM 517 CD GLN A 343 5.576 44.915 -2.282 1.00 33.52 C ATOM 518 OE1 GLN A 343 4.416 45.272 -2.492 1.00 44.52 O ATOM 519 NE2 GLN A 343 6.449 45.667 -1.622 1.00 54.01 N ATOM 0 H GLN A 343 6.231 42.081 -5.405 1.00 74.14 H new ATOM 0 HA GLN A 343 5.884 44.856 -5.074 1.00 74.35 H new ATOM 0 HB2 GLN A 343 7.704 42.749 -3.895 1.00 14.04 H new ATOM 0 HB3 GLN A 343 7.910 44.434 -3.462 1.00 14.04 H new ATOM 0 HG2 GLN A 343 5.245 43.013 -3.204 1.00 30.05 H new ATOM 0 HG3 GLN A 343 6.445 42.992 -1.927 1.00 30.05 H new ATOM 0 HE21 GLN A 343 7.400 45.331 -1.471 1.00 54.01 H new ATOM 0 HE22 GLN A 343 6.168 46.581 -1.266 1.00 54.01 H new ATOM 528 N ARG A 344 8.813 43.950 -6.329 1.00 25.11 N ATOM 529 CA ARG A 344 9.959 44.435 -7.090 1.00 34.40 C ATOM 530 C ARG A 344 9.513 45.035 -8.420 1.00 13.31 C ATOM 531 O ARG A 344 10.032 46.063 -8.854 1.00 32.31 O ATOM 532 CB ARG A 344 10.951 43.297 -7.339 1.00 52.21 C ATOM 533 CG ARG A 344 12.302 43.769 -7.850 1.00 63.12 C ATOM 534 CD ARG A 344 13.234 44.136 -6.706 1.00 14.25 C ATOM 535 NE ARG A 344 13.069 45.527 -6.291 1.00 20.22 N ATOM 536 CZ ARG A 344 13.583 46.557 -6.954 1.00 15.14 C ATOM 537 NH1 ARG A 344 14.289 46.354 -8.057 1.00 40.01 N ATOM 538 NH2 ARG A 344 13.389 47.794 -6.513 1.00 63.22 N ATOM 0 H ARG A 344 8.854 42.959 -6.089 1.00 25.11 H new ATOM 0 HA ARG A 344 10.449 45.214 -6.505 1.00 34.40 H new ATOM 0 HB2 ARG A 344 11.096 42.743 -6.412 1.00 52.21 H new ATOM 0 HB3 ARG A 344 10.521 42.603 -8.061 1.00 52.21 H new ATOM 0 HG2 ARG A 344 12.758 42.985 -8.454 1.00 63.12 H new ATOM 0 HG3 ARG A 344 12.165 44.633 -8.500 1.00 63.12 H new ATOM 0 HD2 ARG A 344 13.043 43.479 -5.857 1.00 14.25 H new ATOM 0 HD3 ARG A 344 14.267 43.969 -7.012 1.00 14.25 H new ATOM 0 HE ARG A 344 12.530 45.718 -5.446 1.00 20.22 H new ATOM 0 HH11 ARG A 344 14.439 45.405 -8.399 1.00 40.01 H new ATOM 0 HH12 ARG A 344 14.682 47.147 -8.564 1.00 40.01 H new ATOM 0 HH21 ARG A 344 12.845 47.954 -5.665 1.00 63.22 H new ATOM 0 HH22 ARG A 344 13.784 48.585 -7.022 1.00 63.22 H new ATOM 552 N GLY A 345 8.547 44.386 -9.063 1.00 33.23 N ATOM 553 CA GLY A 345 8.048 44.870 -10.337 1.00 33.05 C ATOM 554 C GLY A 345 7.636 46.328 -10.282 1.00 31.33 C ATOM 555 O GLY A 345 7.902 47.091 -11.211 1.00 1.31 O ATOM 0 H GLY A 345 8.101 43.534 -8.724 1.00 33.23 H new ATOM 0 HA2 GLY A 345 8.818 44.742 -11.098 1.00 33.05 H new ATOM 0 HA3 GLY A 345 7.194 44.266 -10.643 1.00 33.05 H new ATOM 559 N LEU A 346 6.983 46.716 -9.192 1.00 23.34 N ATOM 560 CA LEU A 346 6.532 48.092 -9.020 1.00 12.25 C ATOM 561 C LEU A 346 7.718 49.043 -8.899 1.00 1.43 C ATOM 562 O LEU A 346 8.233 49.275 -7.805 1.00 73.54 O ATOM 563 CB LEU A 346 5.643 48.207 -7.780 1.00 1.02 C ATOM 564 CG LEU A 346 4.578 49.304 -7.816 1.00 63.24 C ATOM 565 CD1 LEU A 346 3.612 49.149 -6.652 1.00 62.12 C ATOM 566 CD2 LEU A 346 5.229 50.679 -7.793 1.00 15.41 C ATOM 0 H LEU A 346 6.754 46.097 -8.414 1.00 23.34 H new ATOM 0 HA LEU A 346 5.954 48.372 -9.901 1.00 12.25 H new ATOM 0 HB2 LEU A 346 5.145 47.250 -7.625 1.00 1.02 H new ATOM 0 HB3 LEU A 346 6.282 48.378 -6.914 1.00 1.02 H new ATOM 0 HG LEU A 346 4.014 49.207 -8.744 1.00 63.24 H new ATOM 0 HD11 LEU A 346 2.862 49.938 -6.694 1.00 62.12 H new ATOM 0 HD12 LEU A 346 3.121 48.178 -6.714 1.00 62.12 H new ATOM 0 HD13 LEU A 346 4.160 49.220 -5.712 1.00 62.12 H new ATOM 0 HD21 LEU A 346 4.457 51.448 -7.819 1.00 15.41 H new ATOM 0 HD22 LEU A 346 5.818 50.787 -6.882 1.00 15.41 H new ATOM 0 HD23 LEU A 346 5.879 50.788 -8.661 1.00 15.41 H new