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= -2.01 K(o=-2,f=-11!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.0076) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -0.0439 X(o=-0.044,f=0) USER MOD Single : A 343 GLN : amide:sc= -0.607 K(o=-0.61,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 312 5.439 -4.026 -11.564 1.00 54.21 N ATOM 40 CA GLU A 312 5.101 -2.962 -12.502 1.00 41.23 C ATOM 41 C GLU A 312 4.527 -1.752 -11.770 1.00 31.41 C ATOM 42 O GLU A 312 5.087 -0.658 -11.823 1.00 22.15 O ATOM 43 CB GLU A 312 4.097 -3.467 -13.541 1.00 3.31 C ATOM 44 CG GLU A 312 4.488 -4.794 -14.170 1.00 13.41 C ATOM 45 CD GLU A 312 3.588 -5.177 -15.329 1.00 2.20 C ATOM 46 OE1 GLU A 312 3.272 -4.293 -16.152 1.00 73.34 O ATOM 47 OE2 GLU A 312 3.201 -6.361 -15.412 1.00 62.42 O ATOM 0 HA GLU A 312 6.016 -2.657 -13.010 1.00 41.23 H new ATOM 0 HB2 GLU A 312 3.120 -3.572 -13.069 1.00 3.31 H new ATOM 0 HB3 GLU A 312 3.993 -2.719 -14.327 1.00 3.31 H new ATOM 0 HG2 GLU A 312 5.519 -4.737 -14.519 1.00 13.41 H new ATOM 0 HG3 GLU A 312 4.451 -5.576 -13.412 1.00 13.41 H new ATOM 54 N ALA A 313 3.405 -1.959 -11.088 1.00 23.04 N ATOM 55 CA ALA A 313 2.755 -0.887 -10.343 1.00 64.34 C ATOM 56 C ALA A 313 3.711 -0.265 -9.331 1.00 15.23 C ATOM 57 O ALA A 313 3.681 0.944 -9.095 1.00 24.43 O ATOM 58 CB ALA A 313 1.509 -1.411 -9.644 1.00 44.53 C ATOM 0 H ALA A 313 2.927 -2.859 -11.036 1.00 23.04 H new ATOM 0 HA ALA A 313 2.462 -0.111 -11.050 1.00 64.34 H new ATOM 0 HB1 ALA A 313 1.034 -0.600 -9.092 1.00 44.53 H new ATOM 0 HB2 ALA A 313 0.813 -1.802 -10.386 1.00 44.53 H new ATOM 0 HB3 ALA A 313 1.787 -2.207 -8.953 1.00 44.53 H new ATOM 64 N THR A 314 4.557 -1.098 -8.733 1.00 1.42 N ATOM 65 CA THR A 314 5.520 -0.629 -7.744 1.00 33.21 C ATOM 66 C THR A 314 6.460 0.411 -8.342 1.00 11.35 C ATOM 67 O THR A 314 6.853 1.365 -7.670 1.00 1.03 O ATOM 68 CB THR A 314 6.354 -1.793 -7.177 1.00 63.21 C ATOM 69 OG1 THR A 314 5.495 -2.754 -6.553 1.00 0.53 O ATOM 70 CG2 THR A 314 7.375 -1.287 -6.169 1.00 14.23 C ATOM 0 H THR A 314 4.595 -2.101 -8.916 1.00 1.42 H new ATOM 0 HA THR A 314 4.947 -0.174 -6.936 1.00 33.21 H new ATOM 0 HB THR A 314 6.886 -2.265 -8.003 1.00 63.21 H new ATOM 0 HG1 THR A 314 6.033 -3.491 -6.197 1.00 0.53 H new ATOM 0 HG21 THR A 314 7.952 -2.127 -5.782 1.00 14.23 H new ATOM 0 HG22 THR A 314 8.046 -0.579 -6.655 1.00 14.23 H new ATOM 0 HG23 THR A 314 6.859 -0.792 -5.346 1.00 14.23 H new ATOM 78 N ARG A 315 6.816 0.222 -9.608 1.00 3.12 N ATOM 79 CA ARG A 315 7.711 1.145 -10.296 1.00 22.13 C ATOM 80 C ARG A 315 7.113 2.548 -10.344 1.00 21.10 C ATOM 81 O ARG A 315 7.671 3.490 -9.782 1.00 62.20 O ATOM 82 CB ARG A 315 7.995 0.651 -11.715 1.00 71.34 C ATOM 83 CG ARG A 315 9.412 0.932 -12.186 1.00 44.23 C ATOM 84 CD ARG A 315 9.505 2.268 -12.908 1.00 31.34 C ATOM 85 NE ARG A 315 10.543 2.264 -13.935 1.00 52.20 N ATOM 86 CZ ARG A 315 10.950 3.356 -14.572 1.00 5.54 C ATOM 87 NH1 ARG A 315 10.411 4.534 -14.287 1.00 71.33 N ATOM 88 NH2 ARG A 315 11.900 3.273 -15.494 1.00 63.54 N ATOM 0 H ARG A 315 6.499 -0.562 -10.178 1.00 3.12 H new ATOM 0 HA ARG A 315 8.647 1.187 -9.739 1.00 22.13 H new ATOM 0 HB2 ARG A 315 7.813 -0.423 -11.760 1.00 71.34 H new ATOM 0 HB3 ARG A 315 7.293 1.123 -12.402 1.00 71.34 H new ATOM 0 HG2 ARG A 315 10.088 0.932 -11.331 1.00 44.23 H new ATOM 0 HG3 ARG A 315 9.740 0.134 -12.852 1.00 44.23 H new ATOM 0 HD2 ARG A 315 8.543 2.500 -13.365 1.00 31.34 H new ATOM 0 HD3 ARG A 315 9.713 3.057 -12.185 1.00 31.34 H new ATOM 0 HE ARG A 315 10.979 1.374 -14.176 1.00 52.20 H new ATOM 0 HH11 ARG A 315 9.682 4.603 -13.577 1.00 71.33 H new ATOM 0 HH12 ARG A 315 10.726 5.371 -14.778 1.00 71.33 H new ATOM 0 HH21 ARG A 315 12.319 2.370 -15.715 1.00 63.54 H new ATOM 0 HH22 ARG A 315 12.211 4.113 -15.982 1.00 63.54 H new ATOM 102 N GLN A 316 5.976 2.678 -11.019 1.00 72.23 N ATOM 103 CA GLN A 316 5.303 3.966 -11.142 1.00 24.14 C ATOM 104 C GLN A 316 5.014 4.562 -9.768 1.00 24.33 C ATOM 105 O GLN A 316 5.090 5.775 -9.579 1.00 14.44 O ATOM 106 CB GLN A 316 4.001 3.812 -11.928 1.00 54.33 C ATOM 107 CG GLN A 316 3.006 2.863 -11.279 1.00 42.12 C ATOM 108 CD GLN A 316 1.720 2.735 -12.071 1.00 32.22 C ATOM 109 OE1 GLN A 316 1.641 1.966 -13.029 1.00 61.51 O ATOM 110 NE2 GLN A 316 0.702 3.489 -11.673 1.00 40.55 N ATOM 0 H GLN A 316 5.501 1.907 -11.489 1.00 72.23 H new ATOM 0 HA GLN A 316 5.966 4.644 -11.680 1.00 24.14 H new ATOM 0 HB2 GLN A 316 3.536 4.791 -12.040 1.00 54.33 H new ATOM 0 HB3 GLN A 316 4.232 3.452 -12.931 1.00 54.33 H new ATOM 0 HG2 GLN A 316 3.463 1.879 -11.174 1.00 42.12 H new ATOM 0 HG3 GLN A 316 2.776 3.216 -10.274 1.00 42.12 H new ATOM 0 HE21 GLN A 316 0.811 4.113 -10.873 1.00 40.55 H new ATOM 0 HE22 GLN A 316 -0.189 3.444 -12.167 1.00 40.55 H new ATOM 119 N ALA A 317 4.683 3.700 -8.812 1.00 63.41 N ATOM 120 CA ALA A 317 4.385 4.141 -7.455 1.00 74.33 C ATOM 121 C ALA A 317 5.639 4.653 -6.756 1.00 1.10 C ATOM 122 O ALA A 317 5.567 5.532 -5.897 1.00 64.42 O ATOM 123 CB ALA A 317 3.759 3.006 -6.657 1.00 41.42 C ATOM 0 H ALA A 317 4.614 2.692 -8.952 1.00 63.41 H new ATOM 0 HA ALA A 317 3.673 4.964 -7.515 1.00 74.33 H new ATOM 0 HB1 ALA A 317 3.542 3.349 -5.646 1.00 41.42 H new ATOM 0 HB2 ALA A 317 2.834 2.689 -7.139 1.00 41.42 H new ATOM 0 HB3 ALA A 317 4.452 2.166 -6.614 1.00 41.42 H new ATOM 129 N ALA A 318 6.787 4.098 -7.129 1.00 25.10 N ATOM 130 CA ALA A 318 8.058 4.500 -6.538 1.00 71.01 C ATOM 131 C ALA A 318 8.569 5.793 -7.164 1.00 5.01 C ATOM 132 O ALA A 318 9.225 6.597 -6.502 1.00 62.10 O ATOM 133 CB ALA A 318 9.088 3.391 -6.696 1.00 52.31 C ATOM 0 H ALA A 318 6.863 3.369 -7.838 1.00 25.10 H new ATOM 0 HA ALA A 318 7.896 4.681 -5.475 1.00 71.01 H new ATOM 0 HB1 ALA A 318 10.032 3.705 -6.250 1.00 52.31 H new ATOM 0 HB2 ALA A 318 8.732 2.490 -6.196 1.00 52.31 H new ATOM 0 HB3 ALA A 318 9.239 3.182 -7.755 1.00 52.31 H new ATOM 139 N ALA A 319 8.266 5.986 -8.443 1.00 50.33 N ATOM 140 CA ALA A 319 8.694 7.182 -9.158 1.00 3.53 C ATOM 141 C ALA A 319 7.747 8.348 -8.895 1.00 34.13 C ATOM 142 O ALA A 319 8.184 9.477 -8.676 1.00 11.22 O ATOM 143 CB ALA A 319 8.787 6.901 -10.650 1.00 55.21 C ATOM 0 H ALA A 319 7.725 5.329 -9.006 1.00 50.33 H new ATOM 0 HA ALA A 319 9.682 7.460 -8.790 1.00 3.53 H new ATOM 0 HB1 ALA A 319 9.108 7.803 -11.171 1.00 55.21 H new ATOM 0 HB2 ALA A 319 9.510 6.104 -10.826 1.00 55.21 H new ATOM 0 HB3 ALA A 319 7.810 6.594 -11.024 1.00 55.21 H new ATOM 149 N GLN A 320 6.448 8.066 -8.919 1.00 20.44 N ATOM 150 CA GLN A 320 5.439 9.092 -8.684 1.00 23.11 C ATOM 151 C GLN A 320 5.732 9.859 -7.398 1.00 73.25 C ATOM 152 O GLN A 320 5.435 11.048 -7.294 1.00 1.41 O ATOM 153 CB GLN A 320 4.047 8.462 -8.610 1.00 65.44 C ATOM 154 CG GLN A 320 3.779 7.730 -7.305 1.00 41.20 C ATOM 155 CD GLN A 320 3.078 8.601 -6.281 1.00 51.34 C ATOM 156 OE1 GLN A 320 3.720 9.337 -5.531 1.00 70.03 O ATOM 157 NE2 GLN A 320 1.753 8.523 -6.245 1.00 71.12 N ATOM 0 H GLN A 320 6.070 7.136 -9.099 1.00 20.44 H new ATOM 0 HA GLN A 320 5.469 9.793 -9.519 1.00 23.11 H new ATOM 0 HB2 GLN A 320 3.297 9.242 -8.740 1.00 65.44 H new ATOM 0 HB3 GLN A 320 3.928 7.764 -9.439 1.00 65.44 H new ATOM 0 HG2 GLN A 320 3.169 6.849 -7.506 1.00 41.20 H new ATOM 0 HG3 GLN A 320 4.723 7.377 -6.890 1.00 41.20 H new ATOM 0 HE21 GLN A 320 1.261 7.900 -6.885 1.00 71.12 H new ATOM 0 HE22 GLN A 320 1.227 9.087 -5.577 1.00 71.12 H new ATOM 166 N GLU A 321 6.315 9.169 -6.423 1.00 74.11 N ATOM 167 CA GLU A 321 6.645 9.786 -5.144 1.00 45.11 C ATOM 168 C GLU A 321 7.844 10.720 -5.285 1.00 23.25 C ATOM 169 O GLU A 321 7.883 11.791 -4.681 1.00 53.40 O ATOM 170 CB GLU A 321 6.942 8.712 -4.096 1.00 30.24 C ATOM 171 CG GLU A 321 7.086 9.260 -2.686 1.00 12.30 C ATOM 172 CD GLU A 321 7.959 8.386 -1.806 1.00 54.42 C ATOM 173 OE1 GLU A 321 7.938 7.151 -1.991 1.00 14.32 O ATOM 174 OE2 GLU A 321 8.662 8.937 -0.934 1.00 31.24 O ATOM 0 H GLU A 321 6.568 8.184 -6.494 1.00 74.11 H new ATOM 0 HA GLU A 321 5.785 10.372 -4.819 1.00 45.11 H new ATOM 0 HB2 GLU A 321 6.141 7.972 -4.109 1.00 30.24 H new ATOM 0 HB3 GLU A 321 7.860 8.193 -4.370 1.00 30.24 H new ATOM 0 HG2 GLU A 321 7.511 10.263 -2.732 1.00 12.30 H new ATOM 0 HG3 GLU A 321 6.099 9.353 -2.234 1.00 12.30 H new ATOM 181 N GLU A 322 8.821 10.304 -6.085 1.00 74.40 N ATOM 182 CA GLU A 322 10.021 11.102 -6.303 1.00 61.15 C ATOM 183 C GLU A 322 9.689 12.390 -7.052 1.00 64.53 C ATOM 184 O GLU A 322 9.937 13.489 -6.557 1.00 50.24 O ATOM 185 CB GLU A 322 11.060 10.297 -7.086 1.00 64.15 C ATOM 186 CG GLU A 322 12.320 11.082 -7.411 1.00 41.01 C ATOM 187 CD GLU A 322 13.091 11.487 -6.170 1.00 23.12 C ATOM 188 OE1 GLU A 322 13.766 10.616 -5.581 1.00 43.24 O ATOM 189 OE2 GLU A 322 13.020 12.673 -5.787 1.00 11.12 O ATOM 0 H GLU A 322 8.805 9.419 -6.592 1.00 74.40 H new ATOM 0 HA GLU A 322 10.434 11.365 -5.329 1.00 61.15 H new ATOM 0 HB2 GLU A 322 11.332 9.413 -6.510 1.00 64.15 H new ATOM 0 HB3 GLU A 322 10.611 9.946 -8.015 1.00 64.15 H new ATOM 0 HG2 GLU A 322 12.963 10.480 -8.053 1.00 41.01 H new ATOM 0 HG3 GLU A 322 12.052 11.975 -7.975 1.00 41.01 H new ATOM 196 N ARG A 323 9.128 12.244 -8.248 1.00 63.22 N ATOM 197 CA ARG A 323 8.764 13.394 -9.067 1.00 2.04 C ATOM 198 C ARG A 323 7.906 14.375 -8.274 1.00 11.52 C ATOM 199 O ARG A 323 8.023 15.591 -8.436 1.00 23.13 O ATOM 200 CB ARG A 323 8.013 12.939 -10.319 1.00 35.53 C ATOM 201 CG ARG A 323 6.669 12.292 -10.021 1.00 43.33 C ATOM 202 CD ARG A 323 6.087 11.624 -11.257 1.00 20.22 C ATOM 203 NE ARG A 323 4.631 11.527 -11.192 1.00 23.42 N ATOM 204 CZ ARG A 323 3.815 12.549 -11.425 1.00 64.52 C ATOM 205 NH1 ARG A 323 4.310 13.738 -11.738 1.00 2.23 N ATOM 206 NH2 ARG A 323 2.501 12.381 -11.347 1.00 4.33 N ATOM 0 H ARG A 323 8.916 11.341 -8.671 1.00 63.22 H new ATOM 0 HA ARG A 323 9.682 13.900 -9.367 1.00 2.04 H new ATOM 0 HB2 ARG A 323 7.857 13.798 -10.971 1.00 35.53 H new ATOM 0 HB3 ARG A 323 8.634 12.231 -10.868 1.00 35.53 H new ATOM 0 HG2 ARG A 323 6.787 11.553 -9.228 1.00 43.33 H new ATOM 0 HG3 ARG A 323 5.974 13.047 -9.652 1.00 43.33 H new ATOM 0 HD2 ARG A 323 6.373 12.190 -12.144 1.00 20.22 H new ATOM 0 HD3 ARG A 323 6.512 10.626 -11.364 1.00 20.22 H new ATOM 0 HE ARG A 323 4.218 10.625 -10.955 1.00 23.42 H new ATOM 0 HH11 ARG A 323 5.320 13.870 -11.800 1.00 2.23 H new ATOM 0 HH12 ARG A 323 3.681 14.521 -11.916 1.00 2.23 H new ATOM 0 HH21 ARG A 323 2.117 11.467 -11.108 1.00 4.33 H new ATOM 0 HH22 ARG A 323 1.875 13.166 -11.526 1.00 4.33 H new ATOM 220 N LEU A 324 7.043 13.840 -7.417 1.00 50.43 N ATOM 221 CA LEU A 324 6.164 14.669 -6.599 1.00 71.40 C ATOM 222 C LEU A 324 6.973 15.586 -5.688 1.00 52.40 C ATOM 223 O LEU A 324 6.587 16.728 -5.440 1.00 51.31 O ATOM 224 CB LEU A 324 5.236 13.788 -5.761 1.00 32.04 C ATOM 225 CG LEU A 324 3.776 13.732 -6.211 1.00 14.20 C ATOM 226 CD1 LEU A 324 3.685 13.363 -7.684 1.00 11.35 C ATOM 227 CD2 LEU A 324 2.993 12.741 -5.362 1.00 0.12 C ATOM 0 H LEU A 324 6.933 12.837 -7.271 1.00 50.43 H new ATOM 0 HA LEU A 324 5.564 15.288 -7.266 1.00 71.40 H new ATOM 0 HB2 LEU A 324 5.634 12.773 -5.760 1.00 32.04 H new ATOM 0 HB3 LEU A 324 5.264 14.142 -4.731 1.00 32.04 H new ATOM 0 HG LEU A 324 3.337 14.721 -6.077 1.00 14.20 H new ATOM 0 HD11 LEU A 324 2.638 13.328 -7.986 1.00 11.35 H new ATOM 0 HD12 LEU A 324 4.210 14.110 -8.279 1.00 11.35 H new ATOM 0 HD13 LEU A 324 4.142 12.386 -7.843 1.00 11.35 H new ATOM 0 HD21 LEU A 324 1.956 12.715 -5.697 1.00 0.12 H new ATOM 0 HD22 LEU A 324 3.432 11.749 -5.463 1.00 0.12 H new ATOM 0 HD23 LEU A 324 3.029 13.049 -4.317 1.00 0.12 H new ATOM 239 N ALA A 325 8.098 15.080 -5.194 1.00 72.43 N ATOM 240 CA ALA A 325 8.963 15.855 -4.315 1.00 5.14 C ATOM 241 C ALA A 325 9.432 17.137 -4.995 1.00 72.45 C ATOM 242 O ALA A 325 9.520 18.190 -4.364 1.00 73.11 O ATOM 243 CB ALA A 325 10.158 15.020 -3.879 1.00 62.51 C ATOM 0 H ALA A 325 8.431 14.136 -5.388 1.00 72.43 H new ATOM 0 HA ALA A 325 8.386 16.133 -3.433 1.00 5.14 H new ATOM 0 HB1 ALA A 325 10.796 15.612 -3.223 1.00 62.51 H new ATOM 0 HB2 ALA A 325 9.809 14.136 -3.345 1.00 62.51 H new ATOM 0 HB3 ALA A 325 10.727 14.713 -4.757 1.00 62.51 H new ATOM 249 N ASP A 326 9.732 17.040 -6.286 1.00 31.41 N ATOM 250 CA ASP A 326 10.191 18.192 -7.053 1.00 23.22 C ATOM 251 C ASP A 326 9.181 19.332 -6.978 1.00 53.13 C ATOM 252 O ASP A 326 9.552 20.495 -6.814 1.00 12.11 O ATOM 253 CB ASP A 326 10.428 17.799 -8.512 1.00 25.53 C ATOM 254 CG ASP A 326 10.627 19.003 -9.411 1.00 20.20 C ATOM 255 OD1 ASP A 326 9.965 19.070 -10.468 1.00 11.11 O ATOM 256 OD2 ASP A 326 11.444 19.878 -9.057 1.00 51.55 O ATOM 0 H ASP A 326 9.665 16.175 -6.823 1.00 31.41 H new ATOM 0 HA ASP A 326 11.131 18.534 -6.620 1.00 23.22 H new ATOM 0 HB2 ASP A 326 11.305 17.154 -8.574 1.00 25.53 H new ATOM 0 HB3 ASP A 326 9.579 17.218 -8.871 1.00 25.53 H new ATOM 261 N LEU A 327 7.902 18.992 -7.101 1.00 65.22 N ATOM 262 CA LEU A 327 6.837 19.987 -7.049 1.00 3.22 C ATOM 263 C LEU A 327 6.882 20.764 -5.737 1.00 43.52 C ATOM 264 O LEU A 327 6.604 21.963 -5.704 1.00 75.43 O ATOM 265 CB LEU A 327 5.474 19.313 -7.209 1.00 33.44 C ATOM 266 CG LEU A 327 4.943 19.202 -8.638 1.00 62.44 C ATOM 267 CD1 LEU A 327 3.616 18.459 -8.659 1.00 40.42 C ATOM 268 CD2 LEU A 327 4.794 20.582 -9.261 1.00 2.23 C ATOM 0 H LEU A 327 7.578 18.035 -7.237 1.00 65.22 H new ATOM 0 HA LEU A 327 6.987 20.687 -7.870 1.00 3.22 H new ATOM 0 HB2 LEU A 327 5.535 18.310 -6.787 1.00 33.44 H new ATOM 0 HB3 LEU A 327 4.746 19.865 -6.614 1.00 33.44 H new ATOM 0 HG LEU A 327 5.662 18.635 -9.229 1.00 62.44 H new ATOM 0 HD11 LEU A 327 3.254 18.390 -9.685 1.00 40.42 H new ATOM 0 HD12 LEU A 327 3.754 17.456 -8.255 1.00 40.42 H new ATOM 0 HD13 LEU A 327 2.888 18.998 -8.053 1.00 40.42 H new ATOM 0 HD21 LEU A 327 4.415 20.483 -10.278 1.00 2.23 H new ATOM 0 HD22 LEU A 327 4.096 21.175 -8.670 1.00 2.23 H new ATOM 0 HD23 LEU A 327 5.764 21.078 -9.282 1.00 2.23 H new ATOM 280 N ALA A 328 7.237 20.074 -4.658 1.00 43.33 N ATOM 281 CA ALA A 328 7.323 20.701 -3.345 1.00 22.41 C ATOM 282 C ALA A 328 8.183 21.959 -3.392 1.00 50.21 C ATOM 283 O ALA A 328 7.862 22.966 -2.761 1.00 54.00 O ATOM 284 CB ALA A 328 7.880 19.717 -2.326 1.00 73.24 C ATOM 0 H ALA A 328 7.470 19.081 -4.667 1.00 43.33 H new ATOM 0 HA ALA A 328 6.317 20.991 -3.042 1.00 22.41 H new ATOM 0 HB1 ALA A 328 7.939 20.198 -1.350 1.00 73.24 H new ATOM 0 HB2 ALA A 328 7.225 18.848 -2.263 1.00 73.24 H new ATOM 0 HB3 ALA A 328 8.876 19.399 -2.634 1.00 73.24 H new ATOM 290 N SER A 329 9.278 21.895 -4.143 1.00 73.43 N ATOM 291 CA SER A 329 10.186 23.028 -4.269 1.00 5.12 C ATOM 292 C SER A 329 9.575 24.121 -5.141 1.00 30.33 C ATOM 293 O SER A 329 9.762 25.311 -4.886 1.00 33.41 O ATOM 294 CB SER A 329 11.522 22.575 -4.861 1.00 61.25 C ATOM 295 OG SER A 329 12.308 21.903 -3.892 1.00 43.44 O ATOM 0 H SER A 329 9.557 21.070 -4.673 1.00 73.43 H new ATOM 0 HA SER A 329 10.358 23.436 -3.273 1.00 5.12 H new ATOM 0 HB2 SER A 329 11.342 21.915 -5.709 1.00 61.25 H new ATOM 0 HB3 SER A 329 12.067 23.439 -5.240 1.00 61.25 H new ATOM 0 HG SER A 329 13.156 21.622 -4.296 1.00 43.44 H new ATOM 301 N ASP A 330 8.844 23.707 -6.170 1.00 41.30 N ATOM 302 CA ASP A 330 8.203 24.650 -7.080 1.00 64.52 C ATOM 303 C ASP A 330 7.368 25.667 -6.309 1.00 41.14 C ATOM 304 O ASP A 330 7.673 26.861 -6.305 1.00 74.33 O ATOM 305 CB ASP A 330 7.323 23.904 -8.084 1.00 34.53 C ATOM 306 CG ASP A 330 6.725 24.826 -9.127 1.00 51.35 C ATOM 307 OD1 ASP A 330 5.779 24.401 -9.824 1.00 43.21 O ATOM 308 OD2 ASP A 330 7.202 25.974 -9.247 1.00 61.13 O ATOM 0 H ASP A 330 8.680 22.726 -6.395 1.00 41.30 H new ATOM 0 HA ASP A 330 8.984 25.184 -7.621 1.00 64.52 H new ATOM 0 HB2 ASP A 330 7.915 23.135 -8.580 1.00 34.53 H new ATOM 0 HB3 ASP A 330 6.520 23.394 -7.551 1.00 34.53 H new ATOM 313 N LEU A 331 6.314 25.188 -5.659 1.00 74.01 N ATOM 314 CA LEU A 331 5.433 26.056 -4.885 1.00 72.11 C ATOM 315 C LEU A 331 6.231 26.900 -3.897 1.00 1.02 C ATOM 316 O LEU A 331 5.902 28.061 -3.648 1.00 21.45 O ATOM 317 CB LEU A 331 4.392 25.222 -4.137 1.00 34.05 C ATOM 318 CG LEU A 331 4.899 24.451 -2.917 1.00 44.24 C ATOM 319 CD1 LEU A 331 4.747 25.287 -1.656 1.00 42.00 C ATOM 320 CD2 LEU A 331 4.159 23.129 -2.776 1.00 2.20 C ATOM 0 H LEU A 331 6.048 24.203 -5.652 1.00 74.01 H new ATOM 0 HA LEU A 331 4.923 26.726 -5.577 1.00 72.11 H new ATOM 0 HB2 LEU A 331 3.589 25.884 -3.815 1.00 34.05 H new ATOM 0 HB3 LEU A 331 3.956 24.509 -4.837 1.00 34.05 H new ATOM 0 HG LEU A 331 5.958 24.238 -3.061 1.00 44.24 H new ATOM 0 HD11 LEU A 331 5.113 24.722 -0.799 1.00 42.00 H new ATOM 0 HD12 LEU A 331 5.323 26.207 -1.757 1.00 42.00 H new ATOM 0 HD13 LEU A 331 3.696 25.533 -1.507 1.00 42.00 H new ATOM 0 HD21 LEU A 331 4.533 22.594 -1.903 1.00 2.20 H new ATOM 0 HD22 LEU A 331 3.093 23.320 -2.655 1.00 2.20 H new ATOM 0 HD23 LEU A 331 4.321 22.525 -3.668 1.00 2.20 H new ATOM 332 N LEU A 332 7.283 26.311 -3.338 1.00 74.12 N ATOM 333 CA LEU A 332 8.130 27.009 -2.378 1.00 44.42 C ATOM 334 C LEU A 332 8.601 28.347 -2.940 1.00 4.01 C ATOM 335 O LEU A 332 8.310 29.405 -2.380 1.00 25.22 O ATOM 336 CB LEU A 332 9.337 26.145 -2.010 1.00 63.51 C ATOM 337 CG LEU A 332 9.922 26.367 -0.615 1.00 32.13 C ATOM 338 CD1 LEU A 332 10.756 25.169 -0.188 1.00 71.13 C ATOM 339 CD2 LEU A 332 10.756 27.639 -0.583 1.00 24.14 C ATOM 0 H LEU A 332 7.569 25.352 -3.533 1.00 74.12 H new ATOM 0 HA LEU A 332 7.540 27.199 -1.481 1.00 44.42 H new ATOM 0 HB2 LEU A 332 9.049 25.097 -2.099 1.00 63.51 H new ATOM 0 HB3 LEU A 332 10.123 26.323 -2.744 1.00 63.51 H new ATOM 0 HG LEU A 332 9.098 26.479 0.090 1.00 32.13 H new ATOM 0 HD11 LEU A 332 11.164 25.346 0.807 1.00 71.13 H new ATOM 0 HD12 LEU A 332 10.129 24.277 -0.170 1.00 71.13 H new ATOM 0 HD13 LEU A 332 11.573 25.024 -0.895 1.00 71.13 H new ATOM 0 HD21 LEU A 332 11.164 27.781 0.418 1.00 24.14 H new ATOM 0 HD22 LEU A 332 11.573 27.557 -1.300 1.00 24.14 H new ATOM 0 HD23 LEU A 332 10.129 28.492 -0.843 1.00 24.14 H new ATOM 351 N LEU A 333 9.328 28.293 -4.050 1.00 43.44 N ATOM 352 CA LEU A 333 9.838 29.501 -4.690 1.00 41.23 C ATOM 353 C LEU A 333 8.702 30.465 -5.018 1.00 20.14 C ATOM 354 O LEU A 333 8.839 31.677 -4.856 1.00 52.34 O ATOM 355 CB LEU A 333 10.602 29.143 -5.966 1.00 75.44 C ATOM 356 CG LEU A 333 12.062 28.729 -5.781 1.00 51.11 C ATOM 357 CD1 LEU A 333 12.870 29.874 -5.190 1.00 30.20 C ATOM 358 CD2 LEU A 333 12.158 27.494 -4.898 1.00 24.23 C ATOM 0 H LEU A 333 9.578 27.426 -4.526 1.00 43.44 H new ATOM 0 HA LEU A 333 10.517 29.992 -3.993 1.00 41.23 H new ATOM 0 HB2 LEU A 333 10.075 28.330 -6.465 1.00 75.44 H new ATOM 0 HB3 LEU A 333 10.571 30.001 -6.637 1.00 75.44 H new ATOM 0 HG LEU A 333 12.478 28.485 -6.759 1.00 51.11 H new ATOM 0 HD11 LEU A 333 13.907 29.561 -5.065 1.00 30.20 H new ATOM 0 HD12 LEU A 333 12.828 30.733 -5.860 1.00 30.20 H new ATOM 0 HD13 LEU A 333 12.455 30.150 -4.221 1.00 30.20 H new ATOM 0 HD21 LEU A 333 13.204 27.214 -4.777 1.00 24.23 H new ATOM 0 HD22 LEU A 333 11.725 27.711 -3.921 1.00 24.23 H new ATOM 0 HD23 LEU A 333 11.613 26.672 -5.362 1.00 24.23 H new ATOM 370 N GLN A 334 7.581 29.917 -5.476 1.00 23.33 N ATOM 371 CA GLN A 334 6.421 30.728 -5.824 1.00 1.42 C ATOM 372 C GLN A 334 5.960 31.558 -4.631 1.00 14.55 C ATOM 373 O GLN A 334 5.512 32.695 -4.788 1.00 30.42 O ATOM 374 CB GLN A 334 5.278 29.838 -6.314 1.00 13.14 C ATOM 375 CG GLN A 334 4.157 30.607 -6.994 1.00 72.14 C ATOM 376 CD GLN A 334 4.159 30.431 -8.500 1.00 71.31 C ATOM 377 OE1 GLN A 334 4.203 31.406 -9.251 1.00 30.23 O ATOM 378 NE2 GLN A 334 4.111 29.182 -8.950 1.00 43.43 N ATOM 0 H GLN A 334 7.452 28.915 -5.615 1.00 23.33 H new ATOM 0 HA GLN A 334 6.711 31.407 -6.625 1.00 1.42 H new ATOM 0 HB2 GLN A 334 5.676 29.100 -7.011 1.00 13.14 H new ATOM 0 HB3 GLN A 334 4.868 29.288 -5.467 1.00 13.14 H new ATOM 0 HG2 GLN A 334 3.199 30.275 -6.594 1.00 72.14 H new ATOM 0 HG3 GLN A 334 4.252 31.666 -6.756 1.00 72.14 H new ATOM 0 HE21 GLN A 334 4.076 28.404 -8.292 1.00 43.43 H new ATOM 0 HE22 GLN A 334 4.110 29.001 -9.954 1.00 43.43 H new ATOM 387 N TYR A 335 6.071 30.984 -3.438 1.00 62.11 N ATOM 388 CA TYR A 335 5.663 31.670 -2.218 1.00 33.30 C ATOM 389 C TYR A 335 6.305 33.051 -2.128 1.00 71.32 C ATOM 390 O TYR A 335 5.618 34.072 -2.177 1.00 43.31 O ATOM 391 CB TYR A 335 6.040 30.839 -0.990 1.00 72.13 C ATOM 392 CG TYR A 335 5.360 31.295 0.281 1.00 23.52 C ATOM 393 CD1 TYR A 335 6.101 31.614 1.412 1.00 20.34 C ATOM 394 CD2 TYR A 335 3.977 31.407 0.351 1.00 60.31 C ATOM 395 CE1 TYR A 335 5.484 32.030 2.576 1.00 22.43 C ATOM 396 CE2 TYR A 335 3.352 31.823 1.510 1.00 14.32 C ATOM 397 CZ TYR A 335 4.109 32.133 2.620 1.00 4.02 C ATOM 398 OH TYR A 335 3.491 32.548 3.777 1.00 2.44 O ATOM 0 H TYR A 335 6.440 30.045 -3.290 1.00 62.11 H new ATOM 0 HA TYR A 335 4.580 31.794 -2.246 1.00 33.30 H new ATOM 0 HB2 TYR A 335 5.784 29.796 -1.175 1.00 72.13 H new ATOM 0 HB3 TYR A 335 7.120 30.882 -0.850 1.00 72.13 H new ATOM 0 HD1 TYR A 335 7.178 31.535 1.381 1.00 20.34 H new ATOM 0 HD2 TYR A 335 3.380 31.165 -0.516 1.00 60.31 H new ATOM 0 HE1 TYR A 335 6.075 32.273 3.447 1.00 22.43 H new ATOM 0 HE2 TYR A 335 2.276 31.905 1.547 1.00 14.32 H new ATOM 0 HH TYR A 335 2.521 32.568 3.641 1.00 2.44 H new ATOM 408 N LEU A 336 7.627 33.074 -1.997 1.00 74.32 N ATOM 409 CA LEU A 336 8.364 34.329 -1.901 1.00 62.32 C ATOM 410 C LEU A 336 8.331 35.083 -3.227 1.00 30.43 C ATOM 411 O LEU A 336 8.238 36.311 -3.253 1.00 32.43 O ATOM 412 CB LEU A 336 9.813 34.061 -1.490 1.00 10.34 C ATOM 413 CG LEU A 336 10.541 32.965 -2.269 1.00 13.22 C ATOM 414 CD1 LEU A 336 11.940 33.421 -2.651 1.00 42.50 C ATOM 415 CD2 LEU A 336 10.600 31.681 -1.454 1.00 2.51 C ATOM 0 H LEU A 336 8.210 32.238 -1.955 1.00 74.32 H new ATOM 0 HA LEU A 336 7.885 34.946 -1.141 1.00 62.32 H new ATOM 0 HB2 LEU A 336 10.376 34.988 -1.594 1.00 10.34 H new ATOM 0 HB3 LEU A 336 9.827 33.797 -0.433 1.00 10.34 H new ATOM 0 HG LEU A 336 9.984 32.765 -3.184 1.00 13.22 H new ATOM 0 HD11 LEU A 336 12.443 32.628 -3.205 1.00 42.50 H new ATOM 0 HD12 LEU A 336 11.875 34.313 -3.274 1.00 42.50 H new ATOM 0 HD13 LEU A 336 12.507 33.649 -1.749 1.00 42.50 H new ATOM 0 HD21 LEU A 336 11.121 30.912 -2.024 1.00 2.51 H new ATOM 0 HD22 LEU A 336 11.133 31.866 -0.522 1.00 2.51 H new ATOM 0 HD23 LEU A 336 9.587 31.344 -1.232 1.00 2.51 H new ATOM 427 N LEU A 337 8.406 34.340 -4.326 1.00 14.03 N ATOM 428 CA LEU A 337 8.382 34.938 -5.656 1.00 73.21 C ATOM 429 C LEU A 337 7.168 35.847 -5.823 1.00 5.22 C ATOM 430 O LEU A 337 7.307 37.035 -6.112 1.00 3.32 O ATOM 431 CB LEU A 337 8.366 33.846 -6.727 1.00 71.22 C ATOM 432 CG LEU A 337 8.391 34.328 -8.178 1.00 44.20 C ATOM 433 CD1 LEU A 337 9.428 33.556 -8.979 1.00 71.22 C ATOM 434 CD2 LEU A 337 7.014 34.190 -8.810 1.00 63.24 C ATOM 0 H LEU A 337 8.484 33.323 -4.322 1.00 14.03 H new ATOM 0 HA LEU A 337 9.283 35.540 -5.773 1.00 73.21 H new ATOM 0 HB2 LEU A 337 9.226 33.195 -6.567 1.00 71.22 H new ATOM 0 HB3 LEU A 337 7.474 33.237 -6.583 1.00 71.22 H new ATOM 0 HG LEU A 337 8.668 35.382 -8.186 1.00 44.20 H new ATOM 0 HD11 LEU A 337 9.431 33.913 -10.009 1.00 71.22 H new ATOM 0 HD12 LEU A 337 10.414 33.707 -8.539 1.00 71.22 H new ATOM 0 HD13 LEU A 337 9.183 32.494 -8.964 1.00 71.22 H new ATOM 0 HD21 LEU A 337 7.051 34.538 -9.842 1.00 63.24 H new ATOM 0 HD22 LEU A 337 6.708 33.144 -8.790 1.00 63.24 H new ATOM 0 HD23 LEU A 337 6.295 34.789 -8.251 1.00 63.24 H new ATOM 446 N GLN A 338 5.981 35.281 -5.637 1.00 33.44 N ATOM 447 CA GLN A 338 4.743 36.041 -5.765 1.00 44.40 C ATOM 448 C GLN A 338 4.791 37.306 -4.914 1.00 44.34 C ATOM 449 O GLN A 338 4.300 38.359 -5.321 1.00 23.44 O ATOM 450 CB GLN A 338 3.546 35.182 -5.355 1.00 25.21 C ATOM 451 CG GLN A 338 2.251 35.572 -6.048 1.00 62.12 C ATOM 452 CD GLN A 338 1.125 34.595 -5.774 1.00 20.12 C ATOM 453 OE1 GLN A 338 0.072 34.972 -5.259 1.00 51.22 O ATOM 454 NE2 GLN A 338 1.341 33.330 -6.117 1.00 2.42 N ATOM 0 H GLN A 338 5.850 34.298 -5.397 1.00 33.44 H new ATOM 0 HA GLN A 338 4.631 36.331 -6.810 1.00 44.40 H new ATOM 0 HB2 GLN A 338 3.766 34.138 -5.576 1.00 25.21 H new ATOM 0 HB3 GLN A 338 3.408 35.257 -4.276 1.00 25.21 H new ATOM 0 HG2 GLN A 338 1.952 36.567 -5.718 1.00 62.12 H new ATOM 0 HG3 GLN A 338 2.422 35.631 -7.123 1.00 62.12 H new ATOM 0 HE21 GLN A 338 2.229 33.061 -6.541 1.00 2.42 H new ATOM 0 HE22 GLN A 338 0.619 32.628 -5.956 1.00 2.42 H new ATOM 463 N GLY A 339 5.387 37.195 -3.730 1.00 55.55 N ATOM 464 CA GLY A 339 5.487 38.338 -2.841 1.00 20.41 C ATOM 465 C GLY A 339 6.102 39.547 -3.517 1.00 73.12 C ATOM 466 O GLY A 339 5.619 40.667 -3.359 1.00 41.52 O ATOM 0 H GLY A 339 5.802 36.335 -3.371 1.00 55.55 H new ATOM 0 HA2 GLY A 339 4.494 38.597 -2.474 1.00 20.41 H new ATOM 0 HA3 GLY A 339 6.087 38.067 -1.972 1.00 20.41 H new ATOM 470 N GLY A 340 7.172 39.320 -4.273 1.00 3.44 N ATOM 471 CA GLY A 340 7.838 40.410 -4.962 1.00 55.24 C ATOM 472 C GLY A 340 7.254 40.668 -6.338 1.00 22.14 C ATOM 473 O GLY A 340 7.213 41.808 -6.798 1.00 3.30 O ATOM 0 H GLY A 340 7.589 38.401 -4.421 1.00 3.44 H new ATOM 0 HA2 GLY A 340 7.761 41.317 -4.362 1.00 55.24 H new ATOM 0 HA3 GLY A 340 8.899 40.181 -5.058 1.00 55.24 H new ATOM 477 N ALA A 341 6.803 39.605 -6.996 1.00 1.21 N ATOM 478 CA ALA A 341 6.219 39.722 -8.326 1.00 62.13 C ATOM 479 C ALA A 341 5.085 40.741 -8.341 1.00 1.24 C ATOM 480 O ALA A 341 5.087 41.675 -9.143 1.00 70.33 O ATOM 481 CB ALA A 341 5.719 38.367 -8.804 1.00 62.40 C ATOM 0 H ALA A 341 6.831 38.654 -6.630 1.00 1.21 H new ATOM 0 HA ALA A 341 6.995 40.072 -9.006 1.00 62.13 H new ATOM 0 HB1 ALA A 341 5.285 38.469 -9.799 1.00 62.40 H new ATOM 0 HB2 ALA A 341 6.552 37.665 -8.842 1.00 62.40 H new ATOM 0 HB3 ALA A 341 4.961 37.995 -8.114 1.00 62.40 H new ATOM 487 N ARG A 342 4.118 40.556 -7.448 1.00 72.24 N ATOM 488 CA ARG A 342 2.976 41.459 -7.360 1.00 64.42 C ATOM 489 C ARG A 342 3.438 42.904 -7.197 1.00 33.15 C ATOM 490 O ARG A 342 2.825 43.825 -7.735 1.00 42.15 O ATOM 491 CB ARG A 342 2.076 41.064 -6.188 1.00 71.43 C ATOM 492 CG ARG A 342 2.829 40.860 -4.884 1.00 34.24 C ATOM 493 CD ARG A 342 2.337 41.810 -3.803 1.00 31.43 C ATOM 494 NE ARG A 342 1.337 41.186 -2.939 1.00 43.25 N ATOM 495 CZ ARG A 342 0.483 41.873 -2.189 1.00 2.00 C ATOM 496 NH1 ARG A 342 0.507 43.199 -2.196 1.00 71.31 N ATOM 497 NH2 ARG A 342 -0.397 41.234 -1.430 1.00 34.24 N ATOM 0 H ARG A 342 4.102 39.789 -6.775 1.00 72.24 H new ATOM 0 HA ARG A 342 2.409 41.379 -8.287 1.00 64.42 H new ATOM 0 HB2 ARG A 342 1.321 41.837 -6.045 1.00 71.43 H new ATOM 0 HB3 ARG A 342 1.548 40.145 -6.440 1.00 71.43 H new ATOM 0 HG2 ARG A 342 2.706 39.830 -4.549 1.00 34.24 H new ATOM 0 HG3 ARG A 342 3.895 41.016 -5.050 1.00 34.24 H new ATOM 0 HD2 ARG A 342 3.182 42.141 -3.199 1.00 31.43 H new ATOM 0 HD3 ARG A 342 1.910 42.699 -4.268 1.00 31.43 H new ATOM 0 HE ARG A 342 1.293 40.167 -2.910 1.00 43.25 H new ATOM 0 HH11 ARG A 342 1.183 43.694 -2.778 1.00 71.31 H new ATOM 0 HH12 ARG A 342 -0.150 43.724 -1.619 1.00 71.31 H new ATOM 0 HH21 ARG A 342 -0.418 40.214 -1.422 1.00 34.24 H new ATOM 0 HH22 ARG A 342 -1.053 41.762 -0.854 1.00 34.24 H new ATOM 511 N GLN A 343 4.520 43.093 -6.449 1.00 63.10 N ATOM 512 CA GLN A 343 5.062 44.426 -6.214 1.00 23.02 C ATOM 513 C GLN A 343 5.595 45.033 -7.507 1.00 42.13 C ATOM 514 O GLN A 343 5.413 46.223 -7.767 1.00 62.43 O ATOM 515 CB GLN A 343 6.176 44.369 -5.166 1.00 53.34 C ATOM 516 CG GLN A 343 5.679 44.541 -3.740 1.00 74.21 C ATOM 517 CD GLN A 343 5.301 45.974 -3.422 1.00 3.21 C ATOM 518 OE1 GLN A 343 4.420 46.552 -4.059 1.00 3.41 O ATOM 519 NE2 GLN A 343 5.968 46.556 -2.432 1.00 13.22 N ATOM 0 H GLN A 343 5.038 42.341 -5.996 1.00 63.10 H new ATOM 0 HA GLN A 343 4.255 45.058 -5.843 1.00 23.02 H new ATOM 0 HB2 GLN A 343 6.693 43.413 -5.249 1.00 53.34 H new ATOM 0 HB3 GLN A 343 6.908 45.147 -5.383 1.00 53.34 H new ATOM 0 HG2 GLN A 343 4.814 43.897 -3.581 1.00 74.21 H new ATOM 0 HG3 GLN A 343 6.453 44.211 -3.047 1.00 74.21 H new ATOM 0 HE21 GLN A 343 6.691 46.039 -1.931 1.00 13.22 H new ATOM 0 HE22 GLN A 343 5.758 47.520 -2.173 1.00 13.22 H new ATOM 528 N ARG A 344 6.254 44.208 -8.315 1.00 3.43 N ATOM 529 CA ARG A 344 6.815 44.665 -9.581 1.00 22.34 C ATOM 530 C ARG A 344 5.718 44.859 -10.623 1.00 72.40 C ATOM 531 O ARG A 344 5.778 45.777 -11.439 1.00 63.04 O ATOM 532 CB ARG A 344 7.851 43.663 -10.095 1.00 35.21 C ATOM 533 CG ARG A 344 8.627 44.156 -11.305 1.00 1.23 C ATOM 534 CD ARG A 344 9.522 45.333 -10.950 1.00 2.30 C ATOM 535 NE ARG A 344 10.590 44.951 -10.030 1.00 13.25 N ATOM 536 CZ ARG A 344 11.533 45.787 -9.611 1.00 2.23 C ATOM 537 NH1 ARG A 344 11.541 47.046 -10.028 1.00 31.25 N ATOM 538 NH2 ARG A 344 12.471 45.365 -8.773 1.00 22.14 N ATOM 0 H ARG A 344 6.412 43.220 -8.115 1.00 3.43 H new ATOM 0 HA ARG A 344 7.302 45.625 -9.409 1.00 22.34 H new ATOM 0 HB2 ARG A 344 8.552 43.435 -9.293 1.00 35.21 H new ATOM 0 HB3 ARG A 344 7.347 42.732 -10.352 1.00 35.21 H new ATOM 0 HG2 ARG A 344 9.234 43.344 -11.705 1.00 1.23 H new ATOM 0 HG3 ARG A 344 7.931 44.451 -12.090 1.00 1.23 H new ATOM 0 HD2 ARG A 344 9.958 45.744 -11.860 1.00 2.30 H new ATOM 0 HD3 ARG A 344 8.921 46.123 -10.499 1.00 2.30 H new ATOM 0 HE ARG A 344 10.613 43.989 -9.691 1.00 13.25 H new ATOM 0 HH11 ARG A 344 10.822 47.374 -10.672 1.00 31.25 H new ATOM 0 HH12 ARG A 344 12.267 47.686 -9.704 1.00 31.25 H new ATOM 0 HH21 ARG A 344 12.468 44.398 -8.450 1.00 22.14 H new ATOM 0 HH22 ARG A 344 13.195 46.008 -8.452 1.00 22.14 H new ATOM 552 N GLY A 345 4.715 43.986 -10.589 1.00 21.01 N ATOM 553 CA GLY A 345 3.619 44.078 -11.536 1.00 1.04 C ATOM 554 C GLY A 345 2.992 45.458 -11.564 1.00 72.41 C ATOM 555 O GLY A 345 2.997 46.129 -12.597 1.00 10.13 O ATOM 0 H GLY A 345 4.642 43.217 -9.923 1.00 21.01 H new ATOM 0 HA2 GLY A 345 3.982 43.827 -12.533 1.00 1.04 H new ATOM 0 HA3 GLY A 345 2.858 43.341 -11.279 1.00 1.04 H new ATOM 559 N LEU A 346 2.448 45.882 -10.429 1.00 4.13 N ATOM 560 CA LEU A 346 1.812 47.191 -10.327 1.00 61.04 C ATOM 561 C LEU A 346 2.743 48.289 -10.831 1.00 51.32 C ATOM 562 O LEU A 346 2.301 49.257 -11.450 1.00 33.53 O ATOM 563 CB LEU A 346 1.409 47.473 -8.879 1.00 52.10 C ATOM 564 CG LEU A 346 2.549 47.811 -7.918 1.00 64.23 C ATOM 565 CD1 LEU A 346 2.801 49.310 -7.895 1.00 3.41 C ATOM 566 CD2 LEU A 346 2.238 47.299 -6.520 1.00 31.44 C ATOM 0 H LEU A 346 2.434 45.338 -9.566 1.00 4.13 H new ATOM 0 HA LEU A 346 0.918 47.183 -10.951 1.00 61.04 H new ATOM 0 HB2 LEU A 346 0.700 48.301 -8.875 1.00 52.10 H new ATOM 0 HB3 LEU A 346 0.882 46.600 -8.493 1.00 52.10 H new ATOM 0 HG LEU A 346 3.454 47.317 -8.271 1.00 64.23 H new ATOM 0 HD11 LEU A 346 3.616 49.531 -7.206 1.00 3.41 H new ATOM 0 HD12 LEU A 346 3.070 49.649 -8.895 1.00 3.41 H new ATOM 0 HD13 LEU A 346 1.898 49.826 -7.568 1.00 3.41 H new ATOM 0 HD21 LEU A 346 3.061 47.549 -5.850 1.00 31.44 H new ATOM 0 HD22 LEU A 346 1.321 47.764 -6.158 1.00 31.44 H new ATOM 0 HD23 LEU A 346 2.109 46.217 -6.549 1.00 31.44 H new