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=-0.38) USER MOD Single : A 320 GLN : amide:sc= -2.35 K(o=-2.4,f=-9.6!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.057) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.011) USER MOD Single : A 343 GLN : amide:sc= -0.0756 X(o=-0.076,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 312 7.090 -3.453 -11.236 1.00 54.00 N ATOM 40 CA GLU A 312 6.270 -2.600 -12.088 1.00 14.41 C ATOM 41 C GLU A 312 5.596 -1.502 -11.270 1.00 55.53 C ATOM 42 O GLU A 312 5.894 -0.319 -11.434 1.00 51.03 O ATOM 43 CB GLU A 312 5.211 -3.432 -12.814 1.00 63.33 C ATOM 44 CG GLU A 312 5.764 -4.694 -13.456 1.00 3.04 C ATOM 45 CD GLU A 312 6.966 -4.421 -14.339 1.00 40.21 C ATOM 46 OE1 GLU A 312 7.984 -5.130 -14.191 1.00 54.32 O ATOM 47 OE2 GLU A 312 6.889 -3.499 -15.178 1.00 4.24 O ATOM 0 HA GLU A 312 6.923 -2.133 -12.825 1.00 14.41 H new ATOM 0 HB2 GLU A 312 4.429 -3.707 -12.106 1.00 63.33 H new ATOM 0 HB3 GLU A 312 4.743 -2.818 -13.583 1.00 63.33 H new ATOM 0 HG2 GLU A 312 6.044 -5.401 -12.675 1.00 3.04 H new ATOM 0 HG3 GLU A 312 4.982 -5.168 -14.049 1.00 3.04 H new ATOM 54 N ALA A 313 4.684 -1.902 -10.390 1.00 24.43 N ATOM 55 CA ALA A 313 3.969 -0.954 -9.545 1.00 53.15 C ATOM 56 C ALA A 313 4.938 -0.043 -8.800 1.00 12.04 C ATOM 57 O ALA A 313 4.661 1.139 -8.591 1.00 74.31 O ATOM 58 CB ALA A 313 3.074 -1.693 -8.562 1.00 74.52 C ATOM 0 H ALA A 313 4.423 -2.877 -10.244 1.00 24.43 H new ATOM 0 HA ALA A 313 3.347 -0.331 -10.187 1.00 53.15 H new ATOM 0 HB1 ALA A 313 2.546 -0.972 -7.938 1.00 74.52 H new ATOM 0 HB2 ALA A 313 2.350 -2.296 -9.111 1.00 74.52 H new ATOM 0 HB3 ALA A 313 3.683 -2.341 -7.932 1.00 74.52 H new ATOM 64 N THR A 314 6.076 -0.600 -8.398 1.00 44.32 N ATOM 65 CA THR A 314 7.086 0.162 -7.674 1.00 31.13 C ATOM 66 C THR A 314 7.631 1.302 -8.526 1.00 64.22 C ATOM 67 O THR A 314 7.936 2.380 -8.016 1.00 54.31 O ATOM 68 CB THR A 314 8.255 -0.736 -7.229 1.00 24.43 C ATOM 69 OG1 THR A 314 7.769 -1.802 -6.406 1.00 33.25 O ATOM 70 CG2 THR A 314 9.295 0.068 -6.463 1.00 50.33 C ATOM 0 H THR A 314 6.321 -1.576 -8.562 1.00 44.32 H new ATOM 0 HA THR A 314 6.598 0.574 -6.791 1.00 31.13 H new ATOM 0 HB THR A 314 8.724 -1.151 -8.121 1.00 24.43 H new ATOM 0 HG1 THR A 314 8.519 -2.369 -6.129 1.00 33.25 H new ATOM 0 HG21 THR A 314 10.111 -0.588 -6.159 1.00 50.33 H new ATOM 0 HG22 THR A 314 9.685 0.860 -7.102 1.00 50.33 H new ATOM 0 HG23 THR A 314 8.835 0.509 -5.578 1.00 50.33 H new ATOM 78 N ARG A 315 7.752 1.057 -9.827 1.00 23.43 N ATOM 79 CA ARG A 315 8.262 2.063 -10.750 1.00 10.21 C ATOM 80 C ARG A 315 7.376 3.305 -10.743 1.00 54.35 C ATOM 81 O ARG A 315 7.818 4.393 -10.374 1.00 62.44 O ATOM 82 CB ARG A 315 8.346 1.491 -12.166 1.00 42.12 C ATOM 83 CG ARG A 315 8.835 2.493 -13.200 1.00 22.34 C ATOM 84 CD ARG A 315 10.279 2.896 -12.945 1.00 1.02 C ATOM 85 NE ARG A 315 11.218 1.849 -13.340 1.00 13.20 N ATOM 86 CZ ARG A 315 12.535 2.017 -13.371 1.00 21.33 C ATOM 87 NH1 ARG A 315 13.066 3.183 -13.031 1.00 65.10 N ATOM 88 NH2 ARG A 315 13.324 1.016 -13.741 1.00 52.24 N ATOM 0 H ARG A 315 7.504 0.170 -10.265 1.00 23.43 H new ATOM 0 HA ARG A 315 9.261 2.348 -10.421 1.00 10.21 H new ATOM 0 HB2 ARG A 315 9.015 0.630 -12.162 1.00 42.12 H new ATOM 0 HB3 ARG A 315 7.361 1.128 -12.461 1.00 42.12 H new ATOM 0 HG2 ARG A 315 8.747 2.061 -14.197 1.00 22.34 H new ATOM 0 HG3 ARG A 315 8.200 3.379 -13.179 1.00 22.34 H new ATOM 0 HD2 ARG A 315 10.503 3.810 -13.495 1.00 1.02 H new ATOM 0 HD3 ARG A 315 10.411 3.121 -11.887 1.00 1.02 H new ATOM 0 HE ARG A 315 10.842 0.939 -13.607 1.00 13.20 H new ATOM 0 HH11 ARG A 315 12.463 3.954 -12.745 1.00 65.10 H new ATOM 0 HH12 ARG A 315 14.078 3.309 -13.056 1.00 65.10 H new ATOM 0 HH21 ARG A 315 12.919 0.117 -14.002 1.00 52.24 H new ATOM 0 HH22 ARG A 315 14.335 1.146 -13.765 1.00 52.24 H new ATOM 102 N GLN A 316 6.123 3.134 -11.155 1.00 4.42 N ATOM 103 CA GLN A 316 5.176 4.242 -11.197 1.00 50.04 C ATOM 104 C GLN A 316 5.124 4.966 -9.856 1.00 23.10 C ATOM 105 O GLN A 316 4.976 6.186 -9.804 1.00 5.53 O ATOM 106 CB GLN A 316 3.782 3.734 -11.570 1.00 40.55 C ATOM 107 CG GLN A 316 3.259 2.652 -10.640 1.00 25.01 C ATOM 108 CD GLN A 316 1.855 2.205 -10.995 1.00 40.10 C ATOM 109 OE1 GLN A 316 1.497 2.119 -12.170 1.00 50.20 O ATOM 110 NE2 GLN A 316 1.050 1.917 -9.979 1.00 3.43 N ATOM 0 H GLN A 316 5.741 2.240 -11.464 1.00 4.42 H new ATOM 0 HA GLN A 316 5.514 4.947 -11.956 1.00 50.04 H new ATOM 0 HB2 GLN A 316 3.086 4.573 -11.566 1.00 40.55 H new ATOM 0 HB3 GLN A 316 3.807 3.345 -12.588 1.00 40.55 H new ATOM 0 HG2 GLN A 316 3.929 1.793 -10.675 1.00 25.01 H new ATOM 0 HG3 GLN A 316 3.270 3.023 -9.615 1.00 25.01 H new ATOM 0 HE21 GLN A 316 1.388 2.002 -9.020 1.00 3.43 H new ATOM 0 HE22 GLN A 316 0.094 1.611 -10.157 1.00 3.43 H new ATOM 119 N ALA A 317 5.247 4.205 -8.773 1.00 74.14 N ATOM 120 CA ALA A 317 5.215 4.774 -7.432 1.00 4.21 C ATOM 121 C ALA A 317 6.464 5.605 -7.159 1.00 45.31 C ATOM 122 O ALA A 317 6.413 6.602 -6.440 1.00 1.25 O ATOM 123 CB ALA A 317 5.076 3.671 -6.393 1.00 60.15 C ATOM 0 H ALA A 317 5.370 3.193 -8.799 1.00 74.14 H new ATOM 0 HA ALA A 317 4.349 5.433 -7.364 1.00 4.21 H new ATOM 0 HB1 ALA A 317 5.053 4.111 -5.396 1.00 60.15 H new ATOM 0 HB2 ALA A 317 4.151 3.121 -6.568 1.00 60.15 H new ATOM 0 HB3 ALA A 317 5.923 2.990 -6.470 1.00 60.15 H new ATOM 129 N ALA A 318 7.586 5.188 -7.738 1.00 35.31 N ATOM 130 CA ALA A 318 8.847 5.895 -7.558 1.00 24.31 C ATOM 131 C ALA A 318 8.833 7.237 -8.282 1.00 61.52 C ATOM 132 O ALA A 318 9.440 8.205 -7.826 1.00 53.21 O ATOM 133 CB ALA A 318 10.006 5.040 -8.049 1.00 62.24 C ATOM 0 H ALA A 318 7.646 4.364 -8.336 1.00 35.31 H new ATOM 0 HA ALA A 318 8.978 6.088 -6.493 1.00 24.31 H new ATOM 0 HB1 ALA A 318 10.942 5.581 -7.909 1.00 62.24 H new ATOM 0 HB2 ALA A 318 10.036 4.109 -7.483 1.00 62.24 H new ATOM 0 HB3 ALA A 318 9.871 4.817 -9.107 1.00 62.24 H new ATOM 139 N ALA A 319 8.137 7.286 -9.414 1.00 24.45 N ATOM 140 CA ALA A 319 8.043 8.509 -10.200 1.00 45.20 C ATOM 141 C ALA A 319 6.916 9.403 -9.693 1.00 64.51 C ATOM 142 O ALA A 319 7.110 10.599 -9.479 1.00 73.11 O ATOM 143 CB ALA A 319 7.836 8.177 -11.670 1.00 75.02 C ATOM 0 H ALA A 319 7.630 6.492 -9.806 1.00 24.45 H new ATOM 0 HA ALA A 319 8.980 9.054 -10.091 1.00 45.20 H new ATOM 0 HB1 ALA A 319 7.767 9.100 -12.245 1.00 75.02 H new ATOM 0 HB2 ALA A 319 8.677 7.586 -12.031 1.00 75.02 H new ATOM 0 HB3 ALA A 319 6.915 7.607 -11.788 1.00 75.02 H new ATOM 149 N GLN A 320 5.740 8.813 -9.504 1.00 41.40 N ATOM 150 CA GLN A 320 4.582 9.558 -9.023 1.00 70.45 C ATOM 151 C GLN A 320 4.924 10.342 -7.761 1.00 64.11 C ATOM 152 O GLN A 320 4.369 11.412 -7.515 1.00 3.01 O ATOM 153 CB GLN A 320 3.417 8.606 -8.747 1.00 13.14 C ATOM 154 CG GLN A 320 3.530 7.876 -7.418 1.00 61.32 C ATOM 155 CD GLN A 320 2.877 8.633 -6.279 1.00 21.45 C ATOM 156 OE1 GLN A 320 3.542 9.357 -5.538 1.00 1.42 O ATOM 157 NE2 GLN A 320 1.568 8.468 -6.132 1.00 14.21 N ATOM 0 H GLN A 320 5.564 7.823 -9.676 1.00 41.40 H new ATOM 0 HA GLN A 320 4.289 10.266 -9.799 1.00 70.45 H new ATOM 0 HB2 GLN A 320 2.485 9.171 -8.764 1.00 13.14 H new ATOM 0 HB3 GLN A 320 3.360 7.873 -9.551 1.00 13.14 H new ATOM 0 HG2 GLN A 320 3.068 6.893 -7.508 1.00 61.32 H new ATOM 0 HG3 GLN A 320 4.582 7.714 -7.185 1.00 61.32 H new ATOM 0 HE21 GLN A 320 1.056 7.858 -6.769 1.00 14.21 H new ATOM 0 HE22 GLN A 320 1.074 8.951 -5.382 1.00 14.21 H new ATOM 166 N GLU A 321 5.842 9.801 -6.965 1.00 53.40 N ATOM 167 CA GLU A 321 6.256 10.451 -5.727 1.00 45.23 C ATOM 168 C GLU A 321 7.229 11.593 -6.011 1.00 75.33 C ATOM 169 O GLU A 321 7.206 12.622 -5.338 1.00 12.31 O ATOM 170 CB GLU A 321 6.906 9.436 -4.785 1.00 64.21 C ATOM 171 CG GLU A 321 7.005 9.916 -3.347 1.00 33.01 C ATOM 172 CD GLU A 321 7.647 8.891 -2.432 1.00 51.12 C ATOM 173 OE1 GLU A 321 6.996 7.865 -2.143 1.00 23.03 O ATOM 174 OE2 GLU A 321 8.799 9.115 -2.006 1.00 30.31 O ATOM 0 H GLU A 321 6.312 8.916 -7.155 1.00 53.40 H new ATOM 0 HA GLU A 321 5.368 10.863 -5.249 1.00 45.23 H new ATOM 0 HB2 GLU A 321 6.332 8.510 -4.811 1.00 64.21 H new ATOM 0 HB3 GLU A 321 7.906 9.202 -5.151 1.00 64.21 H new ATOM 0 HG2 GLU A 321 7.584 10.839 -3.315 1.00 33.01 H new ATOM 0 HG3 GLU A 321 6.007 10.153 -2.978 1.00 33.01 H new ATOM 181 N GLU A 322 8.081 11.401 -7.013 1.00 23.41 N ATOM 182 CA GLU A 322 9.062 12.413 -7.385 1.00 3.41 C ATOM 183 C GLU A 322 8.390 13.590 -8.087 1.00 62.44 C ATOM 184 O GLU A 322 8.549 14.741 -7.682 1.00 51.22 O ATOM 185 CB GLU A 322 10.134 11.808 -8.293 1.00 63.41 C ATOM 186 CG GLU A 322 11.072 12.838 -8.899 1.00 4.23 C ATOM 187 CD GLU A 322 11.526 13.877 -7.892 1.00 1.04 C ATOM 188 OE1 GLU A 322 12.091 13.485 -6.849 1.00 32.40 O ATOM 189 OE2 GLU A 322 11.317 15.081 -8.145 1.00 54.54 O ATOM 0 H GLU A 322 8.112 10.554 -7.581 1.00 23.41 H new ATOM 0 HA GLU A 322 9.533 12.777 -6.472 1.00 3.41 H new ATOM 0 HB2 GLU A 322 10.719 11.089 -7.720 1.00 63.41 H new ATOM 0 HB3 GLU A 322 9.647 11.255 -9.097 1.00 63.41 H new ATOM 0 HG2 GLU A 322 11.945 12.331 -9.311 1.00 4.23 H new ATOM 0 HG3 GLU A 322 10.571 13.336 -9.729 1.00 4.23 H new ATOM 196 N ARG A 323 7.640 13.291 -9.143 1.00 31.52 N ATOM 197 CA ARG A 323 6.945 14.322 -9.903 1.00 41.33 C ATOM 198 C ARG A 323 6.098 15.198 -8.984 1.00 62.31 C ATOM 199 O ARG A 323 5.991 16.408 -9.187 1.00 71.11 O ATOM 200 CB ARG A 323 6.060 13.686 -10.977 1.00 23.23 C ATOM 201 CG ARG A 323 4.934 12.836 -10.412 1.00 54.12 C ATOM 202 CD ARG A 323 4.106 12.202 -11.519 1.00 33.00 C ATOM 203 NE ARG A 323 2.695 12.095 -11.155 1.00 4.21 N ATOM 204 CZ ARG A 323 1.741 11.741 -12.008 1.00 60.51 C ATOM 205 NH1 ARG A 323 2.044 11.459 -13.268 1.00 3.42 N ATOM 206 NH2 ARG A 323 0.480 11.666 -11.601 1.00 62.14 N ATOM 0 H ARG A 323 7.498 12.343 -9.491 1.00 31.52 H new ATOM 0 HA ARG A 323 7.695 14.949 -10.385 1.00 41.33 H new ATOM 0 HB2 ARG A 323 5.633 14.474 -11.598 1.00 23.23 H new ATOM 0 HB3 ARG A 323 6.679 13.068 -11.627 1.00 23.23 H new ATOM 0 HG2 ARG A 323 5.350 12.056 -9.775 1.00 54.12 H new ATOM 0 HG3 ARG A 323 4.292 13.452 -9.783 1.00 54.12 H new ATOM 0 HD2 ARG A 323 4.202 12.795 -12.428 1.00 33.00 H new ATOM 0 HD3 ARG A 323 4.499 11.210 -11.743 1.00 33.00 H new ATOM 0 HE ARG A 323 2.428 12.304 -10.193 1.00 4.21 H new ATOM 0 HH11 ARG A 323 3.012 11.514 -13.584 1.00 3.42 H new ATOM 0 HH12 ARG A 323 1.309 11.187 -13.921 1.00 3.42 H new ATOM 0 HH21 ARG A 323 0.243 11.880 -10.632 1.00 62.14 H new ATOM 0 HH22 ARG A 323 -0.252 11.394 -12.257 1.00 62.14 H new ATOM 220 N LEU A 324 5.498 14.578 -7.974 1.00 2.33 N ATOM 221 CA LEU A 324 4.660 15.300 -7.023 1.00 11.41 C ATOM 222 C LEU A 324 5.509 16.163 -6.094 1.00 54.14 C ATOM 223 O LEU A 324 5.135 17.288 -5.762 1.00 65.25 O ATOM 224 CB LEU A 324 3.823 14.318 -6.202 1.00 22.13 C ATOM 225 CG LEU A 324 2.360 14.170 -6.619 1.00 53.32 C ATOM 226 CD1 LEU A 324 2.261 13.727 -8.071 1.00 32.14 C ATOM 227 CD2 LEU A 324 1.642 13.185 -5.708 1.00 60.25 C ATOM 0 H LEU A 324 5.576 13.577 -7.792 1.00 2.33 H new ATOM 0 HA LEU A 324 3.994 15.953 -7.587 1.00 11.41 H new ATOM 0 HB2 LEU A 324 4.296 13.337 -6.254 1.00 22.13 H new ATOM 0 HB3 LEU A 324 3.852 14.631 -5.158 1.00 22.13 H new ATOM 0 HG LEU A 324 1.875 15.141 -6.523 1.00 53.32 H new ATOM 0 HD11 LEU A 324 1.212 13.627 -8.350 1.00 32.14 H new ATOM 0 HD12 LEU A 324 2.738 14.469 -8.711 1.00 32.14 H new ATOM 0 HD13 LEU A 324 2.762 12.767 -8.193 1.00 32.14 H new ATOM 0 HD21 LEU A 324 0.602 13.093 -6.020 1.00 60.25 H new ATOM 0 HD22 LEU A 324 2.128 12.211 -5.771 1.00 60.25 H new ATOM 0 HD23 LEU A 324 1.682 13.545 -4.680 1.00 60.25 H new ATOM 239 N ALA A 325 6.653 15.629 -5.680 1.00 60.15 N ATOM 240 CA ALA A 325 7.557 16.351 -4.794 1.00 52.41 C ATOM 241 C ALA A 325 8.021 17.658 -5.429 1.00 60.34 C ATOM 242 O ALA A 325 8.199 18.664 -4.743 1.00 25.12 O ATOM 243 CB ALA A 325 8.753 15.482 -4.437 1.00 30.41 C ATOM 0 H ALA A 325 6.976 14.698 -5.944 1.00 60.15 H new ATOM 0 HA ALA A 325 7.013 16.594 -3.881 1.00 52.41 H new ATOM 0 HB1 ALA A 325 9.419 16.035 -3.775 1.00 30.41 H new ATOM 0 HB2 ALA A 325 8.409 14.578 -3.934 1.00 30.41 H new ATOM 0 HB3 ALA A 325 9.289 15.209 -5.346 1.00 30.41 H new ATOM 249 N ASP A 326 8.216 17.635 -6.743 1.00 75.42 N ATOM 250 CA ASP A 326 8.659 18.818 -7.471 1.00 70.24 C ATOM 251 C ASP A 326 7.595 19.910 -7.433 1.00 11.23 C ATOM 252 O ASP A 326 7.862 21.037 -7.013 1.00 52.22 O ATOM 253 CB ASP A 326 8.985 18.458 -8.922 1.00 25.34 C ATOM 254 CG ASP A 326 9.693 19.582 -9.652 1.00 41.00 C ATOM 255 OD1 ASP A 326 9.661 19.591 -10.900 1.00 74.12 O ATOM 256 OD2 ASP A 326 10.280 20.453 -8.976 1.00 21.44 O ATOM 0 H ASP A 326 8.074 16.810 -7.326 1.00 75.42 H new ATOM 0 HA ASP A 326 9.560 19.196 -6.987 1.00 70.24 H new ATOM 0 HB2 ASP A 326 9.611 17.566 -8.940 1.00 25.34 H new ATOM 0 HB3 ASP A 326 8.063 18.211 -9.448 1.00 25.34 H new ATOM 261 N LEU A 327 6.389 19.570 -7.874 1.00 31.04 N ATOM 262 CA LEU A 327 5.284 20.522 -7.891 1.00 13.14 C ATOM 263 C LEU A 327 4.963 21.009 -6.481 1.00 52.01 C ATOM 264 O LEU A 327 4.677 22.187 -6.271 1.00 52.30 O ATOM 265 CB LEU A 327 4.043 19.882 -8.516 1.00 41.32 C ATOM 266 CG LEU A 327 3.066 20.840 -9.199 1.00 11.12 C ATOM 267 CD1 LEU A 327 2.489 21.822 -8.191 1.00 1.11 C ATOM 268 CD2 LEU A 327 3.753 21.582 -10.336 1.00 72.01 C ATOM 0 H LEU A 327 6.151 18.642 -8.225 1.00 31.04 H new ATOM 0 HA LEU A 327 5.585 21.380 -8.492 1.00 13.14 H new ATOM 0 HB2 LEU A 327 4.369 19.144 -9.249 1.00 41.32 H new ATOM 0 HB3 LEU A 327 3.506 19.341 -7.737 1.00 41.32 H new ATOM 0 HG LEU A 327 2.246 20.256 -9.617 1.00 11.12 H new ATOM 0 HD11 LEU A 327 1.796 22.496 -8.695 1.00 1.11 H new ATOM 0 HD12 LEU A 327 1.960 21.274 -7.411 1.00 1.11 H new ATOM 0 HD13 LEU A 327 3.297 22.401 -7.743 1.00 1.11 H new ATOM 0 HD21 LEU A 327 3.043 22.259 -10.810 1.00 72.01 H new ATOM 0 HD22 LEU A 327 4.592 22.155 -9.942 1.00 72.01 H new ATOM 0 HD23 LEU A 327 4.117 20.864 -11.071 1.00 72.01 H new ATOM 280 N ALA A 328 5.015 20.094 -5.518 1.00 54.25 N ATOM 281 CA ALA A 328 4.734 20.431 -4.128 1.00 53.35 C ATOM 282 C ALA A 328 5.584 21.610 -3.667 1.00 24.34 C ATOM 283 O ALA A 328 5.077 22.555 -3.064 1.00 11.24 O ATOM 284 CB ALA A 328 4.972 19.224 -3.234 1.00 74.41 C ATOM 0 H ALA A 328 5.249 19.114 -5.675 1.00 54.25 H new ATOM 0 HA ALA A 328 3.686 20.722 -4.055 1.00 53.35 H new ATOM 0 HB1 ALA A 328 4.758 19.490 -2.199 1.00 74.41 H new ATOM 0 HB2 ALA A 328 4.317 18.409 -3.542 1.00 74.41 H new ATOM 0 HB3 ALA A 328 6.011 18.907 -3.320 1.00 74.41 H new ATOM 290 N SER A 329 6.881 21.546 -3.953 1.00 72.10 N ATOM 291 CA SER A 329 7.803 22.606 -3.563 1.00 12.13 C ATOM 292 C SER A 329 7.640 23.827 -4.463 1.00 73.34 C ATOM 293 O SER A 329 7.726 24.966 -4.005 1.00 11.11 O ATOM 294 CB SER A 329 9.246 22.103 -3.623 1.00 4.12 C ATOM 295 OG SER A 329 10.140 23.051 -3.066 1.00 4.20 O ATOM 0 H SER A 329 7.317 20.771 -4.453 1.00 72.10 H new ATOM 0 HA SER A 329 7.570 22.898 -2.539 1.00 12.13 H new ATOM 0 HB2 SER A 329 9.328 21.160 -3.083 1.00 4.12 H new ATOM 0 HB3 SER A 329 9.522 21.903 -4.658 1.00 4.12 H new ATOM 0 HG SER A 329 11.056 22.705 -3.115 1.00 4.20 H new ATOM 301 N ASP A 330 7.404 23.579 -5.747 1.00 52.40 N ATOM 302 CA ASP A 330 7.227 24.657 -6.713 1.00 42.15 C ATOM 303 C ASP A 330 6.156 25.637 -6.245 1.00 3.32 C ATOM 304 O ASP A 330 6.444 26.804 -5.972 1.00 75.32 O ATOM 305 CB ASP A 330 6.851 24.087 -8.082 1.00 11.20 C ATOM 306 CG ASP A 330 6.512 25.170 -9.087 1.00 11.50 C ATOM 307 OD1 ASP A 330 5.447 25.069 -9.731 1.00 43.33 O ATOM 308 OD2 ASP A 330 7.312 26.119 -9.230 1.00 12.12 O ATOM 0 H ASP A 330 7.331 22.642 -6.143 1.00 52.40 H new ATOM 0 HA ASP A 330 8.172 25.194 -6.798 1.00 42.15 H new ATOM 0 HB2 ASP A 330 7.679 23.488 -8.463 1.00 11.20 H new ATOM 0 HB3 ASP A 330 5.998 23.418 -7.972 1.00 11.20 H new ATOM 313 N LEU A 331 4.921 25.157 -6.154 1.00 61.03 N ATOM 314 CA LEU A 331 3.806 25.991 -5.720 1.00 31.15 C ATOM 315 C LEU A 331 4.116 26.662 -4.385 1.00 53.34 C ATOM 316 O LEU A 331 3.725 27.806 -4.148 1.00 41.23 O ATOM 317 CB LEU A 331 2.533 25.151 -5.597 1.00 51.55 C ATOM 318 CG LEU A 331 2.499 24.147 -4.445 1.00 63.11 C ATOM 319 CD1 LEU A 331 1.949 24.798 -3.186 1.00 34.43 C ATOM 320 CD2 LEU A 331 1.671 22.928 -4.824 1.00 55.21 C ATOM 0 H LEU A 331 4.666 24.194 -6.375 1.00 61.03 H new ATOM 0 HA LEU A 331 3.651 26.767 -6.469 1.00 31.15 H new ATOM 0 HB2 LEU A 331 1.685 25.827 -5.488 1.00 51.55 H new ATOM 0 HB3 LEU A 331 2.389 24.607 -6.531 1.00 51.55 H new ATOM 0 HG LEU A 331 3.519 23.819 -4.243 1.00 63.11 H new ATOM 0 HD11 LEU A 331 1.932 24.068 -2.377 1.00 34.43 H new ATOM 0 HD12 LEU A 331 2.583 25.638 -2.904 1.00 34.43 H new ATOM 0 HD13 LEU A 331 0.936 25.155 -3.374 1.00 34.43 H new ATOM 0 HD21 LEU A 331 1.658 22.224 -3.992 1.00 55.21 H new ATOM 0 HD22 LEU A 331 0.651 23.238 -5.053 1.00 55.21 H new ATOM 0 HD23 LEU A 331 2.110 22.448 -5.699 1.00 55.21 H new ATOM 332 N LEU A 332 4.822 25.945 -3.518 1.00 55.21 N ATOM 333 CA LEU A 332 5.187 26.472 -2.208 1.00 13.23 C ATOM 334 C LEU A 332 6.096 27.689 -2.344 1.00 42.13 C ATOM 335 O LEU A 332 5.723 28.802 -1.970 1.00 21.44 O ATOM 336 CB LEU A 332 5.882 25.392 -1.377 1.00 62.05 C ATOM 337 CG LEU A 332 5.966 25.652 0.127 1.00 63.10 C ATOM 338 CD1 LEU A 332 4.632 25.359 0.795 1.00 53.33 C ATOM 339 CD2 LEU A 332 7.072 24.814 0.752 1.00 44.21 C ATOM 0 H LEU A 332 5.153 24.997 -3.698 1.00 55.21 H new ATOM 0 HA LEU A 332 4.273 26.780 -1.700 1.00 13.23 H new ATOM 0 HB2 LEU A 332 5.359 24.449 -1.534 1.00 62.05 H new ATOM 0 HB3 LEU A 332 6.894 25.262 -1.760 1.00 62.05 H new ATOM 0 HG LEU A 332 6.203 26.705 0.281 1.00 63.10 H new ATOM 0 HD11 LEU A 332 4.711 25.550 1.865 1.00 53.33 H new ATOM 0 HD12 LEU A 332 3.862 26.002 0.368 1.00 53.33 H new ATOM 0 HD13 LEU A 332 4.365 24.315 0.631 1.00 53.33 H new ATOM 0 HD21 LEU A 332 7.117 25.012 1.823 1.00 44.21 H new ATOM 0 HD22 LEU A 332 6.865 23.757 0.587 1.00 44.21 H new ATOM 0 HD23 LEU A 332 8.027 25.072 0.294 1.00 44.21 H new ATOM 351 N LEU A 333 7.290 27.471 -2.885 1.00 11.13 N ATOM 352 CA LEU A 333 8.253 28.551 -3.073 1.00 71.45 C ATOM 353 C LEU A 333 7.624 29.715 -3.831 1.00 53.31 C ATOM 354 O LEU A 333 7.859 30.879 -3.505 1.00 74.53 O ATOM 355 CB LEU A 333 9.480 28.039 -3.830 1.00 3.14 C ATOM 356 CG LEU A 333 10.663 29.004 -3.922 1.00 15.55 C ATOM 357 CD1 LEU A 333 11.389 29.087 -2.588 1.00 64.33 C ATOM 358 CD2 LEU A 333 11.617 28.575 -5.026 1.00 2.00 C ATOM 0 H LEU A 333 7.614 26.557 -3.201 1.00 11.13 H new ATOM 0 HA LEU A 333 8.561 28.906 -2.090 1.00 71.45 H new ATOM 0 HB2 LEU A 333 9.822 27.122 -3.350 1.00 3.14 H new ATOM 0 HB3 LEU A 333 9.173 27.774 -4.842 1.00 3.14 H new ATOM 0 HG LEU A 333 10.281 29.995 -4.166 1.00 15.55 H new ATOM 0 HD11 LEU A 333 12.228 29.778 -2.673 1.00 64.33 H new ATOM 0 HD12 LEU A 333 10.701 29.443 -1.821 1.00 64.33 H new ATOM 0 HD13 LEU A 333 11.759 28.099 -2.313 1.00 64.33 H new ATOM 0 HD21 LEU A 333 12.452 29.273 -5.077 1.00 2.00 H new ATOM 0 HD22 LEU A 333 11.993 27.574 -4.813 1.00 2.00 H new ATOM 0 HD23 LEU A 333 11.090 28.570 -5.980 1.00 2.00 H new ATOM 370 N GLN A 334 6.822 29.393 -4.841 1.00 41.53 N ATOM 371 CA GLN A 334 6.158 30.414 -5.644 1.00 31.33 C ATOM 372 C GLN A 334 5.366 31.371 -4.760 1.00 12.33 C ATOM 373 O GLN A 334 5.300 32.571 -5.030 1.00 23.24 O ATOM 374 CB GLN A 334 5.229 29.761 -6.669 1.00 44.44 C ATOM 375 CG GLN A 334 4.848 30.682 -7.817 1.00 41.32 C ATOM 376 CD GLN A 334 6.002 30.943 -8.765 1.00 24.42 C ATOM 377 OE1 GLN A 334 6.358 32.092 -9.027 1.00 70.15 O ATOM 378 NE2 GLN A 334 6.595 29.874 -9.284 1.00 22.21 N ATOM 0 H GLN A 334 6.616 28.434 -5.123 1.00 41.53 H new ATOM 0 HA GLN A 334 6.925 30.984 -6.169 1.00 31.33 H new ATOM 0 HB2 GLN A 334 5.714 28.872 -7.073 1.00 44.44 H new ATOM 0 HB3 GLN A 334 4.322 29.428 -6.165 1.00 44.44 H new ATOM 0 HG2 GLN A 334 4.020 30.241 -8.372 1.00 41.32 H new ATOM 0 HG3 GLN A 334 4.492 31.630 -7.414 1.00 41.32 H new ATOM 0 HE21 GLN A 334 6.267 28.940 -9.039 1.00 22.21 H new ATOM 0 HE22 GLN A 334 7.378 29.987 -9.927 1.00 22.21 H new ATOM 387 N TYR A 335 4.765 30.834 -3.704 1.00 23.22 N ATOM 388 CA TYR A 335 3.975 31.640 -2.781 1.00 51.23 C ATOM 389 C TYR A 335 4.810 32.775 -2.196 1.00 24.52 C ATOM 390 O TYR A 335 4.312 33.879 -1.975 1.00 51.13 O ATOM 391 CB TYR A 335 3.419 30.767 -1.655 1.00 3.10 C ATOM 392 CG TYR A 335 2.168 31.326 -1.017 1.00 12.14 C ATOM 393 CD1 TYR A 335 2.217 32.468 -0.227 1.00 44.21 C ATOM 394 CD2 TYR A 335 0.935 30.712 -1.204 1.00 43.42 C ATOM 395 CE1 TYR A 335 1.077 32.982 0.359 1.00 74.34 C ATOM 396 CE2 TYR A 335 -0.211 31.220 -0.624 1.00 20.24 C ATOM 397 CZ TYR A 335 -0.135 32.354 0.157 1.00 11.22 C ATOM 398 OH TYR A 335 -1.274 32.864 0.738 1.00 71.53 O ATOM 0 H TYR A 335 4.810 29.843 -3.466 1.00 23.22 H new ATOM 0 HA TYR A 335 3.145 32.074 -3.338 1.00 51.23 H new ATOM 0 HB2 TYR A 335 3.203 29.774 -2.049 1.00 3.10 H new ATOM 0 HB3 TYR A 335 4.185 30.646 -0.889 1.00 3.10 H new ATOM 0 HD1 TYR A 335 3.164 32.963 -0.068 1.00 44.21 H new ATOM 0 HD2 TYR A 335 0.872 29.822 -1.813 1.00 43.42 H new ATOM 0 HE1 TYR A 335 1.134 33.870 0.971 1.00 74.34 H new ATOM 0 HE2 TYR A 335 -1.161 30.732 -0.781 1.00 20.24 H new ATOM 0 HH TYR A 335 -2.042 32.306 0.496 1.00 71.53 H new ATOM 408 N LEU A 336 6.085 32.494 -1.947 1.00 33.24 N ATOM 409 CA LEU A 336 6.992 33.490 -1.387 1.00 62.42 C ATOM 410 C LEU A 336 7.642 34.316 -2.492 1.00 63.23 C ATOM 411 O LEU A 336 7.637 35.547 -2.447 1.00 21.21 O ATOM 412 CB LEU A 336 8.070 32.808 -0.543 1.00 4.44 C ATOM 413 CG LEU A 336 7.604 32.207 0.783 1.00 32.44 C ATOM 414 CD1 LEU A 336 7.132 30.775 0.583 1.00 21.30 C ATOM 415 CD2 LEU A 336 8.720 32.263 1.817 1.00 74.24 C ATOM 0 H LEU A 336 6.513 31.585 -2.124 1.00 33.24 H new ATOM 0 HA LEU A 336 6.411 34.159 -0.752 1.00 62.42 H new ATOM 0 HB2 LEU A 336 8.522 32.015 -1.139 1.00 4.44 H new ATOM 0 HB3 LEU A 336 8.854 33.536 -0.333 1.00 4.44 H new ATOM 0 HG LEU A 336 6.765 32.797 1.152 1.00 32.44 H new ATOM 0 HD11 LEU A 336 6.804 30.363 1.538 1.00 21.30 H new ATOM 0 HD12 LEU A 336 6.302 30.761 -0.123 1.00 21.30 H new ATOM 0 HD13 LEU A 336 7.952 30.173 0.191 1.00 21.30 H new ATOM 0 HD21 LEU A 336 8.370 31.831 2.754 1.00 74.24 H new ATOM 0 HD22 LEU A 336 9.579 31.698 1.456 1.00 74.24 H new ATOM 0 HD23 LEU A 336 9.011 33.300 1.982 1.00 74.24 H new ATOM 427 N LEU A 337 8.200 33.632 -3.485 1.00 73.42 N ATOM 428 CA LEU A 337 8.852 34.302 -4.605 1.00 22.05 C ATOM 429 C LEU A 337 7.924 35.334 -5.237 1.00 3.31 C ATOM 430 O LEU A 337 8.353 36.431 -5.593 1.00 40.44 O ATOM 431 CB LEU A 337 9.286 33.278 -5.655 1.00 41.20 C ATOM 432 CG LEU A 337 10.392 33.726 -6.612 1.00 33.42 C ATOM 433 CD1 LEU A 337 11.152 32.523 -7.149 1.00 30.12 C ATOM 434 CD2 LEU A 337 9.809 34.544 -7.755 1.00 0.24 C ATOM 0 H LEU A 337 8.214 32.613 -3.537 1.00 73.42 H new ATOM 0 HA LEU A 337 9.733 34.818 -4.224 1.00 22.05 H new ATOM 0 HB2 LEU A 337 9.622 32.378 -5.139 1.00 41.20 H new ATOM 0 HB3 LEU A 337 8.413 33.000 -6.245 1.00 41.20 H new ATOM 0 HG LEU A 337 11.091 34.355 -6.061 1.00 33.42 H new ATOM 0 HD11 LEU A 337 11.935 32.861 -7.828 1.00 30.12 H new ATOM 0 HD12 LEU A 337 11.602 31.977 -6.320 1.00 30.12 H new ATOM 0 HD13 LEU A 337 10.465 31.868 -7.685 1.00 30.12 H new ATOM 0 HD21 LEU A 337 10.610 34.854 -8.426 1.00 0.24 H new ATOM 0 HD22 LEU A 337 9.089 33.939 -8.305 1.00 0.24 H new ATOM 0 HD23 LEU A 337 9.310 35.426 -7.354 1.00 0.24 H new ATOM 446 N GLN A 338 6.652 34.975 -5.370 1.00 54.34 N ATOM 447 CA GLN A 338 5.663 35.872 -5.958 1.00 62.33 C ATOM 448 C GLN A 338 5.624 37.202 -5.214 1.00 44.41 C ATOM 449 O GLN A 338 5.597 38.268 -5.828 1.00 42.03 O ATOM 450 CB GLN A 338 4.279 35.222 -5.938 1.00 74.02 C ATOM 451 CG GLN A 338 3.195 36.079 -6.574 1.00 23.54 C ATOM 452 CD GLN A 338 1.959 35.280 -6.938 1.00 41.33 C ATOM 453 OE1 GLN A 338 0.850 35.602 -6.511 1.00 21.24 O ATOM 454 NE2 GLN A 338 2.144 34.233 -7.733 1.00 33.41 N ATOM 0 H GLN A 338 6.281 34.070 -5.079 1.00 54.34 H new ATOM 0 HA GLN A 338 5.952 36.063 -6.991 1.00 62.33 H new ATOM 0 HB2 GLN A 338 4.328 34.266 -6.460 1.00 74.02 H new ATOM 0 HB3 GLN A 338 4.002 35.008 -4.906 1.00 74.02 H new ATOM 0 HG2 GLN A 338 2.917 36.877 -5.886 1.00 23.54 H new ATOM 0 HG3 GLN A 338 3.592 36.555 -7.470 1.00 23.54 H new ATOM 0 HE21 GLN A 338 3.081 34.003 -8.063 1.00 33.41 H new ATOM 0 HE22 GLN A 338 1.349 33.659 -8.013 1.00 33.41 H new ATOM 463 N GLY A 339 5.622 37.133 -3.886 1.00 75.42 N ATOM 464 CA GLY A 339 5.585 38.339 -3.080 1.00 63.31 C ATOM 465 C GLY A 339 6.679 39.319 -3.454 1.00 52.44 C ATOM 466 O GLY A 339 6.454 40.528 -3.487 1.00 55.44 O ATOM 0 H GLY A 339 5.645 36.263 -3.354 1.00 75.42 H new ATOM 0 HA2 GLY A 339 4.614 38.821 -3.197 1.00 63.31 H new ATOM 0 HA3 GLY A 339 5.684 38.072 -2.028 1.00 63.31 H new ATOM 470 N GLY A 340 7.869 38.797 -3.736 1.00 51.51 N ATOM 471 CA GLY A 340 8.984 39.650 -4.104 1.00 64.32 C ATOM 472 C GLY A 340 8.962 40.032 -5.571 1.00 3.32 C ATOM 473 O GLY A 340 9.303 41.159 -5.930 1.00 62.34 O ATOM 0 H GLY A 340 8.081 37.799 -3.716 1.00 51.51 H new ATOM 0 HA2 GLY A 340 8.962 40.554 -3.496 1.00 64.32 H new ATOM 0 HA3 GLY A 340 9.919 39.137 -3.879 1.00 64.32 H new ATOM 477 N ALA A 341 8.562 39.092 -6.420 1.00 73.11 N ATOM 478 CA ALA A 341 8.496 39.336 -7.856 1.00 4.55 C ATOM 479 C ALA A 341 7.557 40.495 -8.173 1.00 3.32 C ATOM 480 O ALA A 341 7.806 41.273 -9.094 1.00 13.51 O ATOM 481 CB ALA A 341 8.051 38.078 -8.586 1.00 14.24 C ATOM 0 H ALA A 341 8.278 38.154 -6.138 1.00 73.11 H new ATOM 0 HA ALA A 341 9.494 39.607 -8.200 1.00 4.55 H new ATOM 0 HB1 ALA A 341 8.006 38.275 -9.657 1.00 14.24 H new ATOM 0 HB2 ALA A 341 8.763 37.275 -8.394 1.00 14.24 H new ATOM 0 HB3 ALA A 341 7.064 37.781 -8.230 1.00 14.24 H new ATOM 487 N ARG A 342 6.478 40.604 -7.405 1.00 21.51 N ATOM 488 CA ARG A 342 5.501 41.667 -7.606 1.00 32.40 C ATOM 489 C ARG A 342 6.057 43.011 -7.146 1.00 23.21 C ATOM 490 O ARG A 342 5.802 44.043 -7.765 1.00 52.12 O ATOM 491 CB ARG A 342 4.209 41.351 -6.849 1.00 4.10 C ATOM 492 CG ARG A 342 3.479 40.126 -7.375 1.00 12.42 C ATOM 493 CD ARG A 342 2.534 40.486 -8.511 1.00 0.33 C ATOM 494 NE ARG A 342 3.218 40.522 -9.801 1.00 34.02 N ATOM 495 CZ ARG A 342 2.584 40.521 -10.968 1.00 62.44 C ATOM 496 NH1 ARG A 342 1.259 40.486 -11.008 1.00 4.14 N ATOM 497 NH2 ARG A 342 3.276 40.554 -12.100 1.00 43.41 N ATOM 0 H ARG A 342 6.258 39.969 -6.638 1.00 21.51 H new ATOM 0 HA ARG A 342 5.284 41.729 -8.672 1.00 32.40 H new ATOM 0 HB2 ARG A 342 4.443 41.199 -5.795 1.00 4.10 H new ATOM 0 HB3 ARG A 342 3.544 42.213 -6.907 1.00 4.10 H new ATOM 0 HG2 ARG A 342 4.204 39.390 -7.723 1.00 12.42 H new ATOM 0 HG3 ARG A 342 2.916 39.661 -6.566 1.00 12.42 H new ATOM 0 HD2 ARG A 342 1.722 39.760 -8.551 1.00 0.33 H new ATOM 0 HD3 ARG A 342 2.082 41.458 -8.313 1.00 0.33 H new ATOM 0 HE ARG A 342 4.238 40.549 -9.806 1.00 34.02 H new ATOM 0 HH11 ARG A 342 0.723 40.460 -10.141 1.00 4.14 H new ATOM 0 HH12 ARG A 342 0.776 40.485 -11.906 1.00 4.14 H new ATOM 0 HH21 ARG A 342 4.295 40.580 -12.074 1.00 43.41 H new ATOM 0 HH22 ARG A 342 2.788 40.553 -12.996 1.00 43.41 H new ATOM 511 N GLN A 343 6.818 42.989 -6.056 1.00 71.22 N ATOM 512 CA GLN A 343 7.409 44.206 -5.513 1.00 51.11 C ATOM 513 C GLN A 343 8.333 44.864 -6.532 1.00 52.44 C ATOM 514 O GLN A 343 8.354 46.088 -6.666 1.00 42.00 O ATOM 515 CB GLN A 343 8.184 43.894 -4.232 1.00 13.35 C ATOM 516 CG GLN A 343 7.291 43.579 -3.042 1.00 71.13 C ATOM 517 CD GLN A 343 6.530 44.792 -2.546 1.00 12.41 C ATOM 518 OE1 GLN A 343 5.299 44.822 -2.575 1.00 42.41 O ATOM 519 NE2 GLN A 343 7.260 45.802 -2.086 1.00 33.11 N ATOM 0 H GLN A 343 7.039 42.142 -5.532 1.00 71.22 H new ATOM 0 HA GLN A 343 6.601 44.900 -5.281 1.00 51.11 H new ATOM 0 HB2 GLN A 343 8.845 43.046 -4.414 1.00 13.35 H new ATOM 0 HB3 GLN A 343 8.818 44.745 -3.984 1.00 13.35 H new ATOM 0 HG2 GLN A 343 6.582 42.799 -3.321 1.00 71.13 H new ATOM 0 HG3 GLN A 343 7.900 43.181 -2.231 1.00 71.13 H new ATOM 0 HE21 GLN A 343 8.278 45.735 -2.080 1.00 33.11 H new ATOM 0 HE22 GLN A 343 6.803 46.645 -1.738 1.00 33.11 H new ATOM 528 N ARG A 344 9.095 44.045 -7.249 1.00 21.32 N ATOM 529 CA ARG A 344 10.022 44.548 -8.255 1.00 64.31 C ATOM 530 C ARG A 344 9.270 45.225 -9.397 1.00 4.31 C ATOM 531 O ARG A 344 9.710 46.247 -9.923 1.00 74.01 O ATOM 532 CB ARG A 344 10.882 43.407 -8.803 1.00 2.04 C ATOM 533 CG ARG A 344 11.617 42.627 -7.725 1.00 32.32 C ATOM 534 CD ARG A 344 12.909 42.026 -8.255 1.00 44.10 C ATOM 535 NE ARG A 344 12.944 40.575 -8.095 1.00 64.25 N ATOM 536 CZ ARG A 344 12.333 39.730 -8.919 1.00 4.13 C ATOM 537 NH1 ARG A 344 11.644 40.190 -9.954 1.00 21.32 N ATOM 538 NH2 ARG A 344 12.412 38.422 -8.707 1.00 54.44 N ATOM 0 H ARG A 344 9.089 43.030 -7.152 1.00 21.32 H new ATOM 0 HA ARG A 344 10.669 45.286 -7.780 1.00 64.31 H new ATOM 0 HB2 ARG A 344 10.247 42.723 -9.366 1.00 2.04 H new ATOM 0 HB3 ARG A 344 11.610 43.816 -9.504 1.00 2.04 H new ATOM 0 HG2 ARG A 344 11.839 43.285 -6.885 1.00 32.32 H new ATOM 0 HG3 ARG A 344 10.974 41.833 -7.346 1.00 32.32 H new ATOM 0 HD2 ARG A 344 13.019 42.277 -9.310 1.00 44.10 H new ATOM 0 HD3 ARG A 344 13.756 42.469 -7.731 1.00 44.10 H new ATOM 0 HE ARG A 344 13.466 40.189 -7.308 1.00 64.25 H new ATOM 0 HH11 ARG A 344 11.582 41.195 -10.119 1.00 21.32 H new ATOM 0 HH12 ARG A 344 11.176 39.539 -10.585 1.00 21.32 H new ATOM 0 HH21 ARG A 344 12.942 38.065 -7.912 1.00 54.44 H new ATOM 0 HH22 ARG A 344 11.943 37.774 -9.339 1.00 54.44 H new ATOM 552 N GLY A 345 8.134 44.648 -9.775 1.00 70.04 N ATOM 553 CA GLY A 345 7.340 45.209 -10.853 1.00 13.24 C ATOM 554 C GLY A 345 6.606 46.469 -10.437 1.00 21.35 C ATOM 555 O GLY A 345 6.906 47.560 -10.923 1.00 12.13 O ATOM 0 H GLY A 345 7.749 43.802 -9.354 1.00 70.04 H new ATOM 0 HA2 GLY A 345 7.989 45.433 -11.700 1.00 13.24 H new ATOM 0 HA3 GLY A 345 6.618 44.467 -11.193 1.00 13.24 H new ATOM 559 N LEU A 346 5.641 46.319 -9.536 1.00 1.11 N ATOM 560 CA LEU A 346 4.861 47.454 -9.055 1.00 74.03 C ATOM 561 C LEU A 346 4.917 47.549 -7.534 1.00 21.51 C ATOM 562 O LEU A 346 5.548 46.725 -6.874 1.00 23.54 O ATOM 563 CB LEU A 346 3.407 47.330 -9.516 1.00 43.53 C ATOM 564 CG LEU A 346 2.635 46.122 -8.986 1.00 22.12 C ATOM 565 CD1 LEU A 346 1.149 46.434 -8.899 1.00 63.12 C ATOM 566 CD2 LEU A 346 2.876 44.906 -9.868 1.00 62.23 C ATOM 0 H LEU A 346 5.380 45.423 -9.124 1.00 1.11 H new ATOM 0 HA LEU A 346 5.293 48.363 -9.473 1.00 74.03 H new ATOM 0 HB2 LEU A 346 2.875 48.234 -9.220 1.00 43.53 H new ATOM 0 HB3 LEU A 346 3.394 47.295 -10.605 1.00 43.53 H new ATOM 0 HG LEU A 346 2.997 45.896 -7.983 1.00 22.12 H new ATOM 0 HD11 LEU A 346 0.616 45.562 -8.520 1.00 63.12 H new ATOM 0 HD12 LEU A 346 0.993 47.276 -8.225 1.00 63.12 H new ATOM 0 HD13 LEU A 346 0.772 46.687 -9.890 1.00 63.12 H new ATOM 0 HD21 LEU A 346 2.319 44.056 -9.475 1.00 62.23 H new ATOM 0 HD22 LEU A 346 2.543 45.121 -10.883 1.00 62.23 H new ATOM 0 HD23 LEU A 346 3.940 44.669 -9.878 1.00 62.23 H new