USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 292 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 309 SER OG : rot 180:sc= 0 USER MOD Single : A 310 GLN : amide:sc= -0.508 K(o=-0.51,f=-1.5) USER MOD Single : A 314 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 316 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.4) 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= -0.191 X(o=-0.19,f=0) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.028) USER MOD Single : A 343 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 309 4.474 -9.057 -1.875 1.00 14.14 N ATOM 2 CA SER A 309 5.381 -8.175 -2.599 1.00 52.41 C ATOM 3 C SER A 309 4.658 -7.476 -3.747 1.00 31.21 C ATOM 4 O SER A 309 4.000 -8.121 -4.563 1.00 12.21 O ATOM 5 CB SER A 309 6.573 -8.966 -3.139 1.00 63.41 C ATOM 6 OG SER A 309 7.383 -8.160 -3.977 1.00 62.43 O ATOM 0 HA SER A 309 5.742 -7.417 -1.904 1.00 52.41 H new ATOM 0 HB2 SER A 309 7.168 -9.345 -2.308 1.00 63.41 H new ATOM 0 HB3 SER A 309 6.216 -9.832 -3.697 1.00 63.41 H new ATOM 0 HG SER A 309 8.139 -8.689 -4.308 1.00 62.43 H new ATOM 12 N GLN A 310 4.786 -6.154 -3.802 1.00 22.44 N ATOM 13 CA GLN A 310 4.145 -5.368 -4.848 1.00 52.24 C ATOM 14 C GLN A 310 5.158 -4.475 -5.557 1.00 2.35 C ATOM 15 O GLN A 310 4.976 -3.261 -5.643 1.00 43.23 O ATOM 16 CB GLN A 310 3.020 -4.515 -4.258 1.00 62.14 C ATOM 17 CG GLN A 310 3.451 -3.685 -3.060 1.00 31.33 C ATOM 18 CD GLN A 310 3.381 -4.460 -1.758 1.00 42.14 C ATOM 19 OE1 GLN A 310 4.406 -4.862 -1.206 1.00 52.22 O ATOM 20 NE2 GLN A 310 2.169 -4.674 -1.260 1.00 51.45 N ATOM 0 H GLN A 310 5.328 -5.606 -3.134 1.00 22.44 H new ATOM 0 HA GLN A 310 3.723 -6.058 -5.578 1.00 52.24 H new ATOM 0 HB2 GLN A 310 2.636 -3.850 -5.031 1.00 62.14 H new ATOM 0 HB3 GLN A 310 2.198 -5.167 -3.961 1.00 62.14 H new ATOM 0 HG2 GLN A 310 4.471 -3.333 -3.215 1.00 31.33 H new ATOM 0 HG3 GLN A 310 2.816 -2.802 -2.987 1.00 31.33 H new ATOM 0 HE21 GLN A 310 1.347 -4.323 -1.751 1.00 51.45 H new ATOM 0 HE22 GLN A 310 2.060 -5.190 -0.387 1.00 51.45 H new ATOM 29 N ALA A 311 6.226 -5.084 -6.061 1.00 20.31 N ATOM 30 CA ALA A 311 7.268 -4.344 -6.763 1.00 35.53 C ATOM 31 C ALA A 311 6.679 -3.504 -7.891 1.00 33.31 C ATOM 32 O ALA A 311 7.136 -2.392 -8.152 1.00 12.05 O ATOM 33 CB ALA A 311 8.318 -5.301 -7.307 1.00 44.42 C ATOM 0 H ALA A 311 6.393 -6.088 -5.996 1.00 20.31 H new ATOM 0 HA ALA A 311 7.742 -3.668 -6.052 1.00 35.53 H new ATOM 0 HB1 ALA A 311 9.090 -4.736 -7.829 1.00 44.42 H new ATOM 0 HB2 ALA A 311 8.768 -5.854 -6.483 1.00 44.42 H new ATOM 0 HB3 ALA A 311 7.849 -6.000 -8.000 1.00 44.42 H new ATOM 39 N GLU A 312 5.663 -4.045 -8.557 1.00 10.51 N ATOM 40 CA GLU A 312 5.014 -3.344 -9.658 1.00 54.44 C ATOM 41 C GLU A 312 4.416 -2.022 -9.185 1.00 50.32 C ATOM 42 O GLU A 312 4.872 -0.947 -9.576 1.00 33.35 O ATOM 43 CB GLU A 312 3.920 -4.219 -10.275 1.00 1.40 C ATOM 44 CG GLU A 312 4.370 -5.640 -10.566 1.00 22.40 C ATOM 45 CD GLU A 312 5.621 -5.693 -11.421 1.00 43.21 C ATOM 46 OE1 GLU A 312 6.723 -5.843 -10.851 1.00 54.14 O ATOM 47 OE2 GLU A 312 5.500 -5.584 -12.659 1.00 14.50 O ATOM 0 H GLU A 312 5.273 -4.965 -8.353 1.00 10.51 H new ATOM 0 HA GLU A 312 5.769 -3.131 -10.414 1.00 54.44 H new ATOM 0 HB2 GLU A 312 3.066 -4.249 -9.599 1.00 1.40 H new ATOM 0 HB3 GLU A 312 3.577 -3.758 -11.202 1.00 1.40 H new ATOM 0 HG2 GLU A 312 4.555 -6.158 -9.625 1.00 22.40 H new ATOM 0 HG3 GLU A 312 3.566 -6.175 -11.072 1.00 22.40 H new ATOM 54 N ALA A 313 3.392 -2.110 -8.342 1.00 43.02 N ATOM 55 CA ALA A 313 2.733 -0.922 -7.814 1.00 72.23 C ATOM 56 C ALA A 313 3.743 0.036 -7.192 1.00 31.43 C ATOM 57 O ALA A 313 3.613 1.255 -7.308 1.00 73.35 O ATOM 58 CB ALA A 313 1.676 -1.315 -6.793 1.00 21.33 C ATOM 0 H ALA A 313 3.001 -2.992 -8.010 1.00 43.02 H new ATOM 0 HA ALA A 313 2.248 -0.407 -8.643 1.00 72.23 H new ATOM 0 HB1 ALA A 313 1.192 -0.418 -6.407 1.00 21.33 H new ATOM 0 HB2 ALA A 313 0.931 -1.954 -7.268 1.00 21.33 H new ATOM 0 HB3 ALA A 313 2.147 -1.855 -5.972 1.00 21.33 H new ATOM 64 N THR A 314 4.751 -0.523 -6.528 1.00 75.24 N ATOM 65 CA THR A 314 5.782 0.281 -5.886 1.00 11.25 C ATOM 66 C THR A 314 6.558 1.101 -6.910 1.00 11.11 C ATOM 67 O THR A 314 6.931 2.245 -6.649 1.00 60.03 O ATOM 68 CB THR A 314 6.769 -0.598 -5.095 1.00 33.23 C ATOM 69 OG1 THR A 314 6.059 -1.392 -4.137 1.00 52.22 O ATOM 70 CG2 THR A 314 7.805 0.258 -4.383 1.00 25.43 C ATOM 0 H THR A 314 4.874 -1.530 -6.421 1.00 75.24 H new ATOM 0 HA THR A 314 5.273 0.954 -5.196 1.00 11.25 H new ATOM 0 HB THR A 314 7.283 -1.252 -5.799 1.00 33.23 H new ATOM 0 HG1 THR A 314 5.783 -2.236 -4.552 1.00 52.22 H new ATOM 0 HG21 THR A 314 8.491 -0.385 -3.831 1.00 25.43 H new ATOM 0 HG22 THR A 314 8.363 0.839 -5.117 1.00 25.43 H new ATOM 0 HG23 THR A 314 7.304 0.934 -3.690 1.00 25.43 H new ATOM 78 N ARG A 315 6.797 0.510 -8.076 1.00 23.43 N ATOM 79 CA ARG A 315 7.530 1.186 -9.139 1.00 72.14 C ATOM 80 C ARG A 315 6.809 2.460 -9.570 1.00 44.14 C ATOM 81 O ARG A 315 7.341 3.561 -9.431 1.00 52.44 O ATOM 82 CB ARG A 315 7.703 0.254 -10.340 1.00 42.33 C ATOM 83 CG ARG A 315 8.786 0.703 -11.308 1.00 2.01 C ATOM 84 CD ARG A 315 10.175 0.375 -10.781 1.00 55.12 C ATOM 85 NE ARG A 315 11.224 0.795 -11.706 1.00 0.22 N ATOM 86 CZ ARG A 315 12.521 0.699 -11.438 1.00 5.25 C ATOM 87 NH1 ARG A 315 12.927 0.200 -10.278 1.00 71.22 N ATOM 88 NH2 ARG A 315 13.416 1.103 -12.330 1.00 64.22 N ATOM 0 H ARG A 315 6.494 -0.436 -8.308 1.00 23.43 H new ATOM 0 HA ARG A 315 8.513 1.457 -8.754 1.00 72.14 H new ATOM 0 HB2 ARG A 315 7.941 -0.747 -9.981 1.00 42.33 H new ATOM 0 HB3 ARG A 315 6.756 0.184 -10.875 1.00 42.33 H new ATOM 0 HG2 ARG A 315 8.638 0.217 -12.273 1.00 2.01 H new ATOM 0 HG3 ARG A 315 8.703 1.777 -11.476 1.00 2.01 H new ATOM 0 HD2 ARG A 315 10.323 0.865 -9.819 1.00 55.12 H new ATOM 0 HD3 ARG A 315 10.253 -0.698 -10.608 1.00 55.12 H new ATOM 0 HE ARG A 315 10.945 1.183 -12.607 1.00 0.22 H new ATOM 0 HH11 ARG A 315 12.242 -0.111 -9.589 1.00 71.22 H new ATOM 0 HH12 ARG A 315 13.924 0.127 -10.075 1.00 71.22 H new ATOM 0 HH21 ARG A 315 13.108 1.488 -13.223 1.00 64.22 H new ATOM 0 HH22 ARG A 315 14.412 1.029 -12.123 1.00 64.22 H new ATOM 102 N GLN A 316 5.598 2.301 -10.094 1.00 22.20 N ATOM 103 CA GLN A 316 4.806 3.439 -10.546 1.00 64.53 C ATOM 104 C GLN A 316 4.695 4.494 -9.451 1.00 31.00 C ATOM 105 O GLN A 316 4.713 5.693 -9.727 1.00 13.10 O ATOM 106 CB GLN A 316 3.411 2.979 -10.972 1.00 31.32 C ATOM 107 CG GLN A 316 2.658 2.231 -9.883 1.00 3.21 C ATOM 108 CD GLN A 316 1.268 1.811 -10.318 1.00 21.24 C ATOM 109 OE1 GLN A 316 0.988 0.622 -10.478 1.00 1.52 O ATOM 110 NE2 GLN A 316 0.388 2.786 -10.511 1.00 32.00 N ATOM 0 H GLN A 316 5.144 1.396 -10.216 1.00 22.20 H new ATOM 0 HA GLN A 316 5.311 3.884 -11.403 1.00 64.53 H new ATOM 0 HB2 GLN A 316 2.827 3.849 -11.274 1.00 31.32 H new ATOM 0 HB3 GLN A 316 3.501 2.336 -11.847 1.00 31.32 H new ATOM 0 HG2 GLN A 316 3.227 1.347 -9.595 1.00 3.21 H new ATOM 0 HG3 GLN A 316 2.582 2.864 -8.999 1.00 3.21 H new ATOM 0 HE21 GLN A 316 0.663 3.757 -10.367 1.00 32.00 H new ATOM 0 HE22 GLN A 316 -0.563 2.564 -10.804 1.00 32.00 H new ATOM 119 N ALA A 317 4.580 4.039 -8.208 1.00 15.35 N ATOM 120 CA ALA A 317 4.467 4.944 -7.071 1.00 13.44 C ATOM 121 C ALA A 317 5.782 5.673 -6.816 1.00 61.31 C ATOM 122 O ALA A 317 5.791 6.825 -6.383 1.00 60.51 O ATOM 123 CB ALA A 317 4.036 4.180 -5.828 1.00 34.31 C ATOM 0 H ALA A 317 4.563 3.049 -7.963 1.00 15.35 H new ATOM 0 HA ALA A 317 3.708 5.690 -7.307 1.00 13.44 H new ATOM 0 HB1 ALA A 317 3.956 4.869 -4.987 1.00 34.31 H new ATOM 0 HB2 ALA A 317 3.068 3.711 -6.006 1.00 34.31 H new ATOM 0 HB3 ALA A 317 4.775 3.412 -5.599 1.00 34.31 H new ATOM 129 N ALA A 318 6.892 4.993 -7.087 1.00 75.01 N ATOM 130 CA ALA A 318 8.213 5.576 -6.889 1.00 15.24 C ATOM 131 C ALA A 318 8.490 6.670 -7.915 1.00 33.33 C ATOM 132 O ALA A 318 9.174 7.650 -7.622 1.00 35.14 O ATOM 133 CB ALA A 318 9.282 4.497 -6.962 1.00 65.04 C ATOM 0 H ALA A 318 6.902 4.038 -7.444 1.00 75.01 H new ATOM 0 HA ALA A 318 8.238 6.030 -5.898 1.00 15.24 H new ATOM 0 HB1 ALA A 318 10.264 4.947 -6.812 1.00 65.04 H new ATOM 0 HB2 ALA A 318 9.102 3.753 -6.186 1.00 65.04 H new ATOM 0 HB3 ALA A 318 9.248 4.017 -7.940 1.00 65.04 H new ATOM 139 N ALA A 319 7.955 6.494 -9.119 1.00 10.24 N ATOM 140 CA ALA A 319 8.144 7.467 -10.188 1.00 21.14 C ATOM 141 C ALA A 319 7.109 8.584 -10.103 1.00 60.41 C ATOM 142 O ALA A 319 7.451 9.764 -10.164 1.00 51.21 O ATOM 143 CB ALA A 319 8.074 6.781 -11.544 1.00 33.01 C ATOM 0 H ALA A 319 7.388 5.687 -9.378 1.00 10.24 H new ATOM 0 HA ALA A 319 9.131 7.913 -10.070 1.00 21.14 H new ATOM 0 HB1 ALA A 319 8.217 7.519 -12.333 1.00 33.01 H new ATOM 0 HB2 ALA A 319 8.856 6.024 -11.610 1.00 33.01 H new ATOM 0 HB3 ALA A 319 7.099 6.307 -11.662 1.00 33.01 H new ATOM 149 N GLN A 320 5.844 8.202 -9.963 1.00 74.12 N ATOM 150 CA GLN A 320 4.759 9.172 -9.872 1.00 2.40 C ATOM 151 C GLN A 320 5.055 10.220 -8.804 1.00 35.14 C ATOM 152 O GLN A 320 4.640 11.372 -8.921 1.00 11.54 O ATOM 153 CB GLN A 320 3.439 8.466 -9.559 1.00 61.30 C ATOM 154 CG GLN A 320 3.275 8.106 -8.091 1.00 54.12 C ATOM 155 CD GLN A 320 2.604 9.206 -7.292 1.00 43.54 C ATOM 156 OE1 GLN A 320 3.272 10.023 -6.658 1.00 0.54 O ATOM 157 NE2 GLN A 320 1.277 9.234 -7.320 1.00 30.23 N ATOM 0 H GLN A 320 5.545 7.228 -9.910 1.00 74.12 H new ATOM 0 HA GLN A 320 4.673 9.675 -10.835 1.00 2.40 H new ATOM 0 HB2 GLN A 320 2.612 9.109 -9.862 1.00 61.30 H new ATOM 0 HB3 GLN A 320 3.372 7.557 -10.157 1.00 61.30 H new ATOM 0 HG2 GLN A 320 2.687 7.192 -8.008 1.00 54.12 H new ATOM 0 HG3 GLN A 320 4.254 7.895 -7.661 1.00 54.12 H new ATOM 0 HE21 GLN A 320 0.763 8.537 -7.859 1.00 30.23 H new ATOM 0 HE22 GLN A 320 0.771 9.953 -6.803 1.00 30.23 H new ATOM 166 N GLU A 321 5.773 9.810 -7.763 1.00 1.42 N ATOM 167 CA GLU A 321 6.122 10.715 -6.673 1.00 63.54 C ATOM 168 C GLU A 321 7.312 11.591 -7.054 1.00 53.40 C ATOM 169 O GLU A 321 7.320 12.793 -6.788 1.00 31.31 O ATOM 170 CB GLU A 321 6.445 9.921 -5.406 1.00 30.43 C ATOM 171 CG GLU A 321 6.642 10.791 -4.176 1.00 43.11 C ATOM 172 CD GLU A 321 5.599 11.885 -4.062 1.00 52.44 C ATOM 173 OE1 GLU A 321 5.883 13.024 -4.489 1.00 4.04 O ATOM 174 OE2 GLU A 321 4.497 11.602 -3.547 1.00 51.20 O ATOM 0 H GLU A 321 6.124 8.859 -7.651 1.00 1.42 H new ATOM 0 HA GLU A 321 5.264 11.360 -6.481 1.00 63.54 H new ATOM 0 HB2 GLU A 321 5.638 9.214 -5.215 1.00 30.43 H new ATOM 0 HB3 GLU A 321 7.349 9.335 -5.575 1.00 30.43 H new ATOM 0 HG2 GLU A 321 6.606 10.166 -3.284 1.00 43.11 H new ATOM 0 HG3 GLU A 321 7.634 11.242 -4.210 1.00 43.11 H new ATOM 181 N GLU A 322 8.314 10.981 -7.678 1.00 23.52 N ATOM 182 CA GLU A 322 9.509 11.705 -8.094 1.00 3.44 C ATOM 183 C GLU A 322 9.154 12.828 -9.064 1.00 44.03 C ATOM 184 O GLU A 322 9.443 13.997 -8.810 1.00 1.42 O ATOM 185 CB GLU A 322 10.511 10.750 -8.746 1.00 1.14 C ATOM 186 CG GLU A 322 11.457 10.091 -7.756 1.00 13.24 C ATOM 187 CD GLU A 322 12.471 11.062 -7.182 1.00 53.15 C ATOM 188 OE1 GLU A 322 12.557 11.164 -5.941 1.00 2.43 O ATOM 189 OE2 GLU A 322 13.177 11.720 -7.975 1.00 22.52 O ATOM 0 H GLU A 322 8.322 9.987 -7.907 1.00 23.52 H new ATOM 0 HA GLU A 322 9.963 12.145 -7.206 1.00 3.44 H new ATOM 0 HB2 GLU A 322 9.965 9.975 -9.284 1.00 1.14 H new ATOM 0 HB3 GLU A 322 11.096 11.299 -9.484 1.00 1.14 H new ATOM 0 HG2 GLU A 322 10.878 9.653 -6.943 1.00 13.24 H new ATOM 0 HG3 GLU A 322 11.982 9.273 -8.250 1.00 13.24 H new ATOM 196 N ARG A 323 8.527 12.463 -10.178 1.00 2.32 N ATOM 197 CA ARG A 323 8.134 13.438 -11.188 1.00 4.41 C ATOM 198 C ARG A 323 7.339 14.580 -10.561 1.00 44.12 C ATOM 199 O ARG A 323 7.717 15.747 -10.670 1.00 43.44 O ATOM 200 CB ARG A 323 7.304 12.765 -12.282 1.00 30.21 C ATOM 201 CG ARG A 323 7.974 11.543 -12.890 1.00 13.32 C ATOM 202 CD ARG A 323 7.164 10.983 -14.049 1.00 43.20 C ATOM 203 NE ARG A 323 7.984 10.776 -15.240 1.00 24.04 N ATOM 204 CZ ARG A 323 8.341 11.753 -16.066 1.00 14.22 C ATOM 205 NH1 ARG A 323 7.951 12.999 -15.832 1.00 21.23 N ATOM 206 NH2 ARG A 323 9.088 11.485 -17.129 1.00 5.54 N ATOM 0 H ARG A 323 8.280 11.499 -10.404 1.00 2.32 H new ATOM 0 HA ARG A 323 9.041 13.850 -11.631 1.00 4.41 H new ATOM 0 HB2 ARG A 323 6.340 12.471 -11.866 1.00 30.21 H new ATOM 0 HB3 ARG A 323 7.103 13.489 -13.071 1.00 30.21 H new ATOM 0 HG2 ARG A 323 8.972 11.809 -13.237 1.00 13.32 H new ATOM 0 HG3 ARG A 323 8.096 10.776 -12.126 1.00 13.32 H new ATOM 0 HD2 ARG A 323 6.712 10.037 -13.751 1.00 43.20 H new ATOM 0 HD3 ARG A 323 6.348 11.666 -14.285 1.00 43.20 H new ATOM 0 HE ARG A 323 8.300 9.829 -15.449 1.00 24.04 H new ATOM 0 HH11 ARG A 323 7.376 13.209 -15.016 1.00 21.23 H new ATOM 0 HH12 ARG A 323 8.226 13.748 -16.468 1.00 21.23 H new ATOM 0 HH21 ARG A 323 9.389 10.528 -17.313 1.00 5.54 H new ATOM 0 HH22 ARG A 323 9.362 12.236 -17.763 1.00 5.54 H new ATOM 220 N LEU A 324 6.237 14.236 -9.905 1.00 74.24 N ATOM 221 CA LEU A 324 5.387 15.232 -9.261 1.00 62.42 C ATOM 222 C LEU A 324 6.206 16.136 -8.346 1.00 44.21 C ATOM 223 O LEU A 324 5.938 17.332 -8.237 1.00 40.21 O ATOM 224 CB LEU A 324 4.280 14.545 -8.460 1.00 20.42 C ATOM 225 CG LEU A 324 2.932 14.399 -9.166 1.00 53.22 C ATOM 226 CD1 LEU A 324 3.045 13.438 -10.340 1.00 13.35 C ATOM 227 CD2 LEU A 324 1.866 13.927 -8.188 1.00 75.05 C ATOM 0 H LEU A 324 5.910 13.275 -9.805 1.00 74.24 H new ATOM 0 HA LEU A 324 4.935 15.847 -10.040 1.00 62.42 H new ATOM 0 HB2 LEU A 324 4.628 13.552 -8.176 1.00 20.42 H new ATOM 0 HB3 LEU A 324 4.126 15.105 -7.538 1.00 20.42 H new ATOM 0 HG LEU A 324 2.637 15.376 -9.550 1.00 53.22 H new ATOM 0 HD11 LEU A 324 2.076 13.347 -10.830 1.00 13.35 H new ATOM 0 HD12 LEU A 324 3.777 13.818 -11.052 1.00 13.35 H new ATOM 0 HD13 LEU A 324 3.363 12.460 -9.980 1.00 13.35 H new ATOM 0 HD21 LEU A 324 0.913 13.829 -8.708 1.00 75.05 H new ATOM 0 HD22 LEU A 324 2.155 12.961 -7.774 1.00 75.05 H new ATOM 0 HD23 LEU A 324 1.766 14.653 -7.381 1.00 75.05 H new ATOM 239 N ALA A 325 7.208 15.557 -7.692 1.00 72.20 N ATOM 240 CA ALA A 325 8.069 16.311 -6.790 1.00 10.30 C ATOM 241 C ALA A 325 8.725 17.484 -7.510 1.00 50.34 C ATOM 242 O ALA A 325 8.917 18.553 -6.930 1.00 34.01 O ATOM 243 CB ALA A 325 9.128 15.401 -6.187 1.00 22.32 C ATOM 0 H ALA A 325 7.443 14.568 -7.770 1.00 72.20 H new ATOM 0 HA ALA A 325 7.450 16.711 -5.987 1.00 10.30 H new ATOM 0 HB1 ALA A 325 9.764 15.978 -5.515 1.00 22.32 H new ATOM 0 HB2 ALA A 325 8.644 14.599 -5.629 1.00 22.32 H new ATOM 0 HB3 ALA A 325 9.736 14.973 -6.984 1.00 22.32 H new ATOM 249 N ASP A 326 9.068 17.278 -8.777 1.00 72.40 N ATOM 250 CA ASP A 326 9.702 18.319 -9.577 1.00 65.31 C ATOM 251 C ASP A 326 8.749 19.489 -9.801 1.00 65.53 C ATOM 252 O ASP A 326 9.165 20.648 -9.812 1.00 53.25 O ATOM 253 CB ASP A 326 10.159 17.751 -10.922 1.00 55.21 C ATOM 254 CG ASP A 326 11.280 18.561 -11.542 1.00 51.41 C ATOM 255 OD1 ASP A 326 10.994 19.377 -12.443 1.00 11.31 O ATOM 256 OD2 ASP A 326 12.444 18.379 -11.127 1.00 72.01 O ATOM 0 H ASP A 326 8.917 16.399 -9.272 1.00 72.40 H new ATOM 0 HA ASP A 326 10.572 18.683 -9.031 1.00 65.31 H new ATOM 0 HB2 ASP A 326 10.491 16.722 -10.784 1.00 55.21 H new ATOM 0 HB3 ASP A 326 9.312 17.723 -11.608 1.00 55.21 H new ATOM 261 N LEU A 327 7.471 19.177 -9.981 1.00 14.04 N ATOM 262 CA LEU A 327 6.458 20.202 -10.206 1.00 13.41 C ATOM 263 C LEU A 327 6.082 20.893 -8.899 1.00 1.31 C ATOM 264 O LEU A 327 5.882 22.107 -8.862 1.00 65.00 O ATOM 265 CB LEU A 327 5.213 19.585 -10.846 1.00 12.50 C ATOM 266 CG LEU A 327 4.194 20.571 -11.418 1.00 52.45 C ATOM 267 CD1 LEU A 327 4.838 21.449 -12.480 1.00 64.13 C ATOM 268 CD2 LEU A 327 2.997 19.828 -11.993 1.00 71.21 C ATOM 0 H LEU A 327 7.111 18.223 -9.976 1.00 14.04 H new ATOM 0 HA LEU A 327 6.876 20.948 -10.883 1.00 13.41 H new ATOM 0 HB2 LEU A 327 5.533 18.919 -11.647 1.00 12.50 H new ATOM 0 HB3 LEU A 327 4.713 18.969 -10.099 1.00 12.50 H new ATOM 0 HG LEU A 327 3.844 21.212 -10.609 1.00 52.45 H new ATOM 0 HD11 LEU A 327 4.097 22.144 -12.875 1.00 64.13 H new ATOM 0 HD12 LEU A 327 5.662 22.009 -12.038 1.00 64.13 H new ATOM 0 HD13 LEU A 327 5.217 20.824 -13.288 1.00 64.13 H new ATOM 0 HD21 LEU A 327 2.282 20.546 -12.396 1.00 71.21 H new ATOM 0 HD22 LEU A 327 3.330 19.162 -12.789 1.00 71.21 H new ATOM 0 HD23 LEU A 327 2.520 19.243 -11.207 1.00 71.21 H new ATOM 280 N ALA A 328 5.990 20.112 -7.828 1.00 32.12 N ATOM 281 CA ALA A 328 5.643 20.649 -6.518 1.00 52.10 C ATOM 282 C ALA A 328 6.553 21.814 -6.144 1.00 13.12 C ATOM 283 O ALA A 328 6.102 22.808 -5.574 1.00 62.10 O ATOM 284 CB ALA A 328 5.720 19.556 -5.462 1.00 51.31 C ATOM 0 H ALA A 328 6.151 19.105 -7.842 1.00 32.12 H new ATOM 0 HA ALA A 328 4.620 21.022 -6.565 1.00 52.10 H new ATOM 0 HB1 ALA A 328 5.458 19.971 -4.489 1.00 51.31 H new ATOM 0 HB2 ALA A 328 5.023 18.756 -5.714 1.00 51.31 H new ATOM 0 HB3 ALA A 328 6.733 19.156 -5.425 1.00 51.31 H new ATOM 290 N SER A 329 7.835 21.685 -6.467 1.00 65.32 N ATOM 291 CA SER A 329 8.810 22.725 -6.161 1.00 11.34 C ATOM 292 C SER A 329 8.625 23.930 -7.079 1.00 24.32 C ATOM 293 O SER A 329 8.797 25.075 -6.661 1.00 23.11 O ATOM 294 CB SER A 329 10.232 22.178 -6.298 1.00 0.34 C ATOM 295 OG SER A 329 11.193 23.194 -6.070 1.00 4.14 O ATOM 0 H SER A 329 8.223 20.870 -6.941 1.00 65.32 H new ATOM 0 HA SER A 329 8.650 23.046 -5.132 1.00 11.34 H new ATOM 0 HB2 SER A 329 10.382 21.365 -5.588 1.00 0.34 H new ATOM 0 HB3 SER A 329 10.370 21.760 -7.295 1.00 0.34 H new ATOM 0 HG SER A 329 12.094 22.819 -6.162 1.00 4.14 H new ATOM 301 N ASP A 330 8.275 23.662 -8.332 1.00 33.02 N ATOM 302 CA ASP A 330 8.065 24.723 -9.311 1.00 25.45 C ATOM 303 C ASP A 330 7.098 25.774 -8.774 1.00 65.35 C ATOM 304 O ASP A 330 7.473 26.928 -8.565 1.00 2.22 O ATOM 305 CB ASP A 330 7.530 24.140 -10.619 1.00 65.34 C ATOM 306 CG ASP A 330 7.774 25.055 -11.803 1.00 50.11 C ATOM 307 OD1 ASP A 330 7.256 24.757 -12.900 1.00 24.15 O ATOM 308 OD2 ASP A 330 8.483 26.069 -11.633 1.00 50.33 O ATOM 0 H ASP A 330 8.131 22.719 -8.694 1.00 33.02 H new ATOM 0 HA ASP A 330 9.025 25.203 -9.502 1.00 25.45 H new ATOM 0 HB2 ASP A 330 8.004 23.176 -10.805 1.00 65.34 H new ATOM 0 HB3 ASP A 330 6.460 23.955 -10.520 1.00 65.34 H new ATOM 313 N LEU A 331 5.853 25.367 -8.556 1.00 11.14 N ATOM 314 CA LEU A 331 4.831 26.274 -8.045 1.00 33.13 C ATOM 315 C LEU A 331 5.256 26.877 -6.710 1.00 11.21 C ATOM 316 O LEU A 331 4.970 28.041 -6.423 1.00 22.40 O ATOM 317 CB LEU A 331 3.501 25.536 -7.883 1.00 73.32 C ATOM 318 CG LEU A 331 3.449 24.480 -6.778 1.00 51.02 C ATOM 319 CD1 LEU A 331 2.977 25.098 -5.471 1.00 43.22 C ATOM 320 CD2 LEU A 331 2.541 23.328 -7.183 1.00 62.15 C ATOM 0 H LEU A 331 5.527 24.416 -8.725 1.00 11.14 H new ATOM 0 HA LEU A 331 4.706 27.083 -8.765 1.00 33.13 H new ATOM 0 HB2 LEU A 331 2.721 26.273 -7.691 1.00 73.32 H new ATOM 0 HB3 LEU A 331 3.258 25.054 -8.830 1.00 73.32 H new ATOM 0 HG LEU A 331 4.455 24.088 -6.629 1.00 51.02 H new ATOM 0 HD11 LEU A 331 2.946 24.332 -4.696 1.00 43.22 H new ATOM 0 HD12 LEU A 331 3.666 25.888 -5.173 1.00 43.22 H new ATOM 0 HD13 LEU A 331 1.980 25.518 -5.606 1.00 43.22 H new ATOM 0 HD21 LEU A 331 2.516 22.586 -6.385 1.00 62.15 H new ATOM 0 HD22 LEU A 331 1.533 23.704 -7.360 1.00 62.15 H new ATOM 0 HD23 LEU A 331 2.922 22.867 -8.094 1.00 62.15 H new ATOM 332 N LEU A 332 5.942 26.080 -5.898 1.00 55.10 N ATOM 333 CA LEU A 332 6.409 26.536 -4.593 1.00 70.24 C ATOM 334 C LEU A 332 7.182 27.845 -4.719 1.00 32.12 C ATOM 335 O LEU A 332 6.963 28.783 -3.951 1.00 45.21 O ATOM 336 CB LEU A 332 7.293 25.469 -3.945 1.00 73.21 C ATOM 337 CG LEU A 332 7.394 25.517 -2.420 1.00 42.21 C ATOM 338 CD1 LEU A 332 7.723 24.141 -1.863 1.00 45.01 C ATOM 339 CD2 LEU A 332 8.440 26.534 -1.987 1.00 43.13 C ATOM 0 H LEU A 332 6.187 25.115 -6.120 1.00 55.10 H new ATOM 0 HA LEU A 332 5.537 26.709 -3.962 1.00 70.24 H new ATOM 0 HB2 LEU A 332 6.915 24.488 -4.233 1.00 73.21 H new ATOM 0 HB3 LEU A 332 8.298 25.558 -4.359 1.00 73.21 H new ATOM 0 HG LEU A 332 6.428 25.826 -2.021 1.00 42.21 H new ATOM 0 HD11 LEU A 332 7.791 24.195 -0.776 1.00 45.01 H new ATOM 0 HD12 LEU A 332 6.939 23.438 -2.143 1.00 45.01 H new ATOM 0 HD13 LEU A 332 8.676 23.802 -2.270 1.00 45.01 H new ATOM 0 HD21 LEU A 332 8.499 26.555 -0.899 1.00 43.13 H new ATOM 0 HD22 LEU A 332 9.411 26.255 -2.397 1.00 43.13 H new ATOM 0 HD23 LEU A 332 8.161 27.522 -2.354 1.00 43.13 H new ATOM 351 N LEU A 333 8.084 27.902 -5.692 1.00 1.20 N ATOM 352 CA LEU A 333 8.888 29.098 -5.920 1.00 65.31 C ATOM 353 C LEU A 333 8.010 30.275 -6.329 1.00 53.43 C ATOM 354 O LEU A 333 8.275 31.418 -5.958 1.00 4.13 O ATOM 355 CB LEU A 333 9.939 28.831 -7.000 1.00 11.23 C ATOM 356 CG LEU A 333 11.262 29.582 -6.849 1.00 2.44 C ATOM 357 CD1 LEU A 333 12.015 29.095 -5.620 1.00 43.35 C ATOM 358 CD2 LEU A 333 12.114 29.419 -8.099 1.00 22.52 C ATOM 0 H LEU A 333 8.277 27.135 -6.336 1.00 1.20 H new ATOM 0 HA LEU A 333 9.391 29.351 -4.987 1.00 65.31 H new ATOM 0 HB2 LEU A 333 10.151 27.762 -7.016 1.00 11.23 H new ATOM 0 HB3 LEU A 333 9.508 29.085 -7.969 1.00 11.23 H new ATOM 0 HG LEU A 333 11.043 30.642 -6.719 1.00 2.44 H new ATOM 0 HD11 LEU A 333 12.954 29.641 -5.529 1.00 43.35 H new ATOM 0 HD12 LEU A 333 11.408 29.265 -4.731 1.00 43.35 H new ATOM 0 HD13 LEU A 333 12.223 28.030 -5.719 1.00 43.35 H new ATOM 0 HD21 LEU A 333 13.052 29.960 -7.973 1.00 22.52 H new ATOM 0 HD22 LEU A 333 12.324 28.362 -8.261 1.00 22.52 H new ATOM 0 HD23 LEU A 333 11.577 29.818 -8.960 1.00 22.52 H new ATOM 370 N GLN A 334 6.962 29.987 -7.094 1.00 52.45 N ATOM 371 CA GLN A 334 6.043 31.023 -7.552 1.00 42.13 C ATOM 372 C GLN A 334 5.250 31.602 -6.385 1.00 62.03 C ATOM 373 O GLN A 334 4.945 32.794 -6.360 1.00 53.52 O ATOM 374 CB GLN A 334 5.087 30.458 -8.604 1.00 33.44 C ATOM 375 CG GLN A 334 4.448 31.523 -9.481 1.00 21.54 C ATOM 376 CD GLN A 334 4.916 31.450 -10.921 1.00 0.33 C ATOM 377 OE1 GLN A 334 4.114 31.533 -11.851 1.00 52.22 O ATOM 378 NE2 GLN A 334 6.221 31.295 -11.112 1.00 52.14 N ATOM 0 H GLN A 334 6.728 29.046 -7.410 1.00 52.45 H new ATOM 0 HA GLN A 334 6.632 31.824 -8.000 1.00 42.13 H new ATOM 0 HB2 GLN A 334 5.630 29.756 -9.237 1.00 33.44 H new ATOM 0 HB3 GLN A 334 4.301 29.893 -8.103 1.00 33.44 H new ATOM 0 HG2 GLN A 334 3.364 31.412 -9.449 1.00 21.54 H new ATOM 0 HG3 GLN A 334 4.680 32.508 -9.077 1.00 21.54 H new ATOM 0 HE21 GLN A 334 6.850 31.231 -10.311 1.00 52.14 H new ATOM 0 HE22 GLN A 334 6.595 31.240 -12.059 1.00 52.14 H new ATOM 387 N TYR A 335 4.920 30.750 -5.421 1.00 55.40 N ATOM 388 CA TYR A 335 4.159 31.177 -4.252 1.00 63.22 C ATOM 389 C TYR A 335 4.917 32.245 -3.469 1.00 61.24 C ATOM 390 O TYR A 335 4.404 33.339 -3.232 1.00 50.23 O ATOM 391 CB TYR A 335 3.862 29.980 -3.347 1.00 55.20 C ATOM 392 CG TYR A 335 2.830 30.270 -2.280 1.00 3.11 C ATOM 393 CD1 TYR A 335 3.170 30.974 -1.131 1.00 21.52 C ATOM 394 CD2 TYR A 335 1.517 29.840 -2.420 1.00 73.20 C ATOM 395 CE1 TYR A 335 2.232 31.240 -0.153 1.00 14.13 C ATOM 396 CE2 TYR A 335 0.571 30.103 -1.448 1.00 3.11 C ATOM 397 CZ TYR A 335 0.934 30.803 -0.316 1.00 55.31 C ATOM 398 OH TYR A 335 -0.005 31.066 0.655 1.00 10.42 O ATOM 0 H TYR A 335 5.167 29.760 -5.425 1.00 55.40 H new ATOM 0 HA TYR A 335 3.218 31.605 -4.598 1.00 63.22 H new ATOM 0 HB2 TYR A 335 3.515 29.149 -3.960 1.00 55.20 H new ATOM 0 HB3 TYR A 335 4.787 29.658 -2.868 1.00 55.20 H new ATOM 0 HD1 TYR A 335 4.185 31.319 -1.001 1.00 21.52 H new ATOM 0 HD2 TYR A 335 1.230 29.290 -3.304 1.00 73.20 H new ATOM 0 HE1 TYR A 335 2.513 31.787 0.735 1.00 14.13 H new ATOM 0 HE2 TYR A 335 -0.446 29.763 -1.574 1.00 3.11 H new ATOM 0 HH TYR A 335 -0.869 30.691 0.385 1.00 10.42 H new ATOM 408 N LEU A 336 6.142 31.919 -3.071 1.00 12.21 N ATOM 409 CA LEU A 336 6.973 32.850 -2.315 1.00 21.40 C ATOM 410 C LEU A 336 7.376 34.043 -3.176 1.00 20.33 C ATOM 411 O LEU A 336 7.267 35.194 -2.750 1.00 63.45 O ATOM 412 CB LEU A 336 8.222 32.139 -1.792 1.00 23.34 C ATOM 413 CG LEU A 336 9.028 31.350 -2.825 1.00 4.53 C ATOM 414 CD1 LEU A 336 10.223 32.162 -3.302 1.00 73.10 C ATOM 415 CD2 LEU A 336 9.483 30.020 -2.244 1.00 23.44 C ATOM 0 H LEU A 336 6.582 31.018 -3.259 1.00 12.21 H new ATOM 0 HA LEU A 336 6.390 33.216 -1.470 1.00 21.40 H new ATOM 0 HB2 LEU A 336 8.878 32.884 -1.341 1.00 23.34 H new ATOM 0 HB3 LEU A 336 7.921 31.456 -0.997 1.00 23.34 H new ATOM 0 HG LEU A 336 8.386 31.148 -3.682 1.00 4.53 H new ATOM 0 HD11 LEU A 336 10.785 31.585 -4.036 1.00 73.10 H new ATOM 0 HD12 LEU A 336 9.875 33.089 -3.758 1.00 73.10 H new ATOM 0 HD13 LEU A 336 10.867 32.395 -2.454 1.00 73.10 H new ATOM 0 HD21 LEU A 336 10.055 29.472 -2.993 1.00 23.44 H new ATOM 0 HD22 LEU A 336 10.109 30.200 -1.370 1.00 23.44 H new ATOM 0 HD23 LEU A 336 8.612 29.433 -1.952 1.00 23.44 H new ATOM 427 N LEU A 337 7.840 33.761 -4.388 1.00 75.13 N ATOM 428 CA LEU A 337 8.257 34.811 -5.311 1.00 13.10 C ATOM 429 C LEU A 337 7.129 35.811 -5.543 1.00 50.53 C ATOM 430 O LEU A 337 7.344 37.023 -5.505 1.00 70.41 O ATOM 431 CB LEU A 337 8.696 34.202 -6.644 1.00 33.54 C ATOM 432 CG LEU A 337 9.297 35.173 -7.660 1.00 62.40 C ATOM 433 CD1 LEU A 337 10.300 34.458 -8.552 1.00 71.25 C ATOM 434 CD2 LEU A 337 8.201 35.817 -8.496 1.00 32.31 C ATOM 0 H LEU A 337 7.937 32.814 -4.755 1.00 75.13 H new ATOM 0 HA LEU A 337 9.100 35.339 -4.865 1.00 13.10 H new ATOM 0 HB2 LEU A 337 9.429 33.421 -6.440 1.00 33.54 H new ATOM 0 HB3 LEU A 337 7.833 33.718 -7.101 1.00 33.54 H new ATOM 0 HG LEU A 337 9.821 35.960 -7.117 1.00 62.40 H new ATOM 0 HD11 LEU A 337 10.718 35.165 -9.269 1.00 71.25 H new ATOM 0 HD12 LEU A 337 11.102 34.045 -7.940 1.00 71.25 H new ATOM 0 HD13 LEU A 337 9.800 33.651 -9.087 1.00 71.25 H new ATOM 0 HD21 LEU A 337 8.648 36.505 -9.214 1.00 32.31 H new ATOM 0 HD22 LEU A 337 7.649 35.044 -9.030 1.00 32.31 H new ATOM 0 HD23 LEU A 337 7.520 36.364 -7.844 1.00 32.31 H new ATOM 446 N GLN A 338 5.927 35.296 -5.782 1.00 24.12 N ATOM 447 CA GLN A 338 4.766 36.145 -6.019 1.00 33.15 C ATOM 448 C GLN A 338 4.613 37.181 -4.910 1.00 25.35 C ATOM 449 O GLN A 338 4.241 38.326 -5.163 1.00 31.44 O ATOM 450 CB GLN A 338 3.498 35.295 -6.116 1.00 72.22 C ATOM 451 CG GLN A 338 2.239 36.107 -6.376 1.00 23.03 C ATOM 452 CD GLN A 338 1.084 35.254 -6.860 1.00 74.31 C ATOM 453 OE1 GLN A 338 -0.009 35.289 -6.294 1.00 53.20 O ATOM 454 NE2 GLN A 338 1.319 34.480 -7.914 1.00 3.35 N ATOM 0 H GLN A 338 5.732 34.295 -5.817 1.00 24.12 H new ATOM 0 HA GLN A 338 4.918 36.669 -6.963 1.00 33.15 H new ATOM 0 HB2 GLN A 338 3.621 34.564 -6.916 1.00 72.22 H new ATOM 0 HB3 GLN A 338 3.374 34.735 -5.189 1.00 72.22 H new ATOM 0 HG2 GLN A 338 1.947 36.621 -5.460 1.00 23.03 H new ATOM 0 HG3 GLN A 338 2.454 36.876 -7.118 1.00 23.03 H new ATOM 0 HE21 GLN A 338 2.240 34.482 -8.353 1.00 3.35 H new ATOM 0 HE22 GLN A 338 0.579 33.884 -8.284 1.00 3.35 H new ATOM 463 N GLY A 339 4.904 36.770 -3.679 1.00 2.13 N ATOM 464 CA GLY A 339 4.793 37.675 -2.549 1.00 71.43 C ATOM 465 C GLY A 339 5.769 38.831 -2.635 1.00 14.44 C ATOM 466 O GLY A 339 5.367 39.994 -2.611 1.00 4.25 O ATOM 0 H GLY A 339 5.214 35.827 -3.444 1.00 2.13 H new ATOM 0 HA2 GLY A 339 3.776 38.065 -2.498 1.00 71.43 H new ATOM 0 HA3 GLY A 339 4.969 37.122 -1.626 1.00 71.43 H new ATOM 470 N GLY A 340 7.056 38.512 -2.733 1.00 13.30 N ATOM 471 CA GLY A 340 8.072 39.545 -2.819 1.00 14.05 C ATOM 472 C GLY A 340 7.940 40.385 -4.073 1.00 41.23 C ATOM 473 O GLY A 340 8.207 41.586 -4.055 1.00 3.20 O ATOM 0 H GLY A 340 7.413 37.557 -2.754 1.00 13.30 H new ATOM 0 HA2 GLY A 340 8.004 40.191 -1.944 1.00 14.05 H new ATOM 0 HA3 GLY A 340 9.059 39.082 -2.798 1.00 14.05 H new ATOM 477 N ALA A 341 7.529 39.752 -5.167 1.00 54.10 N ATOM 478 CA ALA A 341 7.362 40.449 -6.436 1.00 40.22 C ATOM 479 C ALA A 341 6.460 41.669 -6.278 1.00 64.24 C ATOM 480 O ALA A 341 6.723 42.725 -6.853 1.00 41.24 O ATOM 481 CB ALA A 341 6.797 39.505 -7.487 1.00 32.12 C ATOM 0 H ALA A 341 7.306 38.757 -5.200 1.00 54.10 H new ATOM 0 HA ALA A 341 8.342 40.795 -6.764 1.00 40.22 H new ATOM 0 HB1 ALA A 341 6.678 40.039 -8.430 1.00 32.12 H new ATOM 0 HB2 ALA A 341 7.480 38.667 -7.629 1.00 32.12 H new ATOM 0 HB3 ALA A 341 5.828 39.131 -7.157 1.00 32.12 H new ATOM 487 N ARG A 342 5.397 41.515 -5.497 1.00 13.45 N ATOM 488 CA ARG A 342 4.455 42.604 -5.265 1.00 42.11 C ATOM 489 C ARG A 342 5.061 43.660 -4.345 1.00 14.11 C ATOM 490 O ARG A 342 4.833 44.856 -4.524 1.00 13.23 O ATOM 491 CB ARG A 342 3.159 42.065 -4.657 1.00 51.22 C ATOM 492 CG ARG A 342 2.389 41.140 -5.586 1.00 2.32 C ATOM 493 CD ARG A 342 1.506 41.923 -6.545 1.00 62.11 C ATOM 494 NE ARG A 342 0.444 42.643 -5.848 1.00 1.02 N ATOM 495 CZ ARG A 342 -0.515 43.321 -6.469 1.00 21.51 C ATOM 496 NH1 ARG A 342 -0.545 43.370 -7.794 1.00 31.45 N ATOM 497 NH2 ARG A 342 -1.447 43.950 -5.765 1.00 3.32 N ATOM 0 H ARG A 342 5.166 40.647 -5.014 1.00 13.45 H new ATOM 0 HA ARG A 342 4.232 43.069 -6.225 1.00 42.11 H new ATOM 0 HB2 ARG A 342 3.394 41.529 -3.738 1.00 51.22 H new ATOM 0 HB3 ARG A 342 2.520 42.904 -4.382 1.00 51.22 H new ATOM 0 HG2 ARG A 342 3.089 40.527 -6.153 1.00 2.32 H new ATOM 0 HG3 ARG A 342 1.774 40.460 -4.997 1.00 2.32 H new ATOM 0 HD2 ARG A 342 2.117 42.631 -7.104 1.00 62.11 H new ATOM 0 HD3 ARG A 342 1.065 41.240 -7.271 1.00 62.11 H new ATOM 0 HE ARG A 342 0.438 42.624 -4.828 1.00 1.02 H new ATOM 0 HH11 ARG A 342 0.169 42.886 -8.339 1.00 31.45 H new ATOM 0 HH12 ARG A 342 -1.282 43.891 -8.269 1.00 31.45 H new ATOM 0 HH21 ARG A 342 -1.428 43.913 -4.746 1.00 3.32 H new ATOM 0 HH22 ARG A 342 -2.183 44.470 -6.243 1.00 3.32 H new ATOM 511 N GLN A 343 5.832 43.208 -3.361 1.00 55.40 N ATOM 512 CA GLN A 343 6.468 44.115 -2.413 1.00 22.44 C ATOM 513 C GLN A 343 7.248 45.204 -3.141 1.00 4.35 C ATOM 514 O GLN A 343 6.887 46.380 -3.088 1.00 4.11 O ATOM 515 CB GLN A 343 7.401 43.339 -1.481 1.00 31.20 C ATOM 516 CG GLN A 343 6.679 42.342 -0.589 1.00 73.33 C ATOM 517 CD GLN A 343 5.783 43.014 0.432 1.00 1.23 C ATOM 518 OE1 GLN A 343 6.157 44.020 1.036 1.00 20.03 O ATOM 519 NE2 GLN A 343 4.592 42.461 0.631 1.00 3.22 N ATOM 0 H GLN A 343 6.031 42.221 -3.200 1.00 55.40 H new ATOM 0 HA GLN A 343 5.685 44.589 -1.821 1.00 22.44 H new ATOM 0 HB2 GLN A 343 8.141 42.808 -2.081 1.00 31.20 H new ATOM 0 HB3 GLN A 343 7.946 44.046 -0.855 1.00 31.20 H new ATOM 0 HG2 GLN A 343 6.080 41.674 -1.208 1.00 73.33 H new ATOM 0 HG3 GLN A 343 7.414 41.725 -0.072 1.00 73.33 H new ATOM 0 HE21 GLN A 343 4.323 41.627 0.108 1.00 3.22 H new ATOM 0 HE22 GLN A 343 3.946 42.870 1.306 1.00 3.22 H new ATOM 528 N ARG A 344 8.319 44.806 -3.819 1.00 24.41 N ATOM 529 CA ARG A 344 9.152 45.749 -4.556 1.00 75.32 C ATOM 530 C ARG A 344 8.453 46.208 -5.833 1.00 31.42 C ATOM 531 O ARG A 344 8.577 47.362 -6.240 1.00 30.21 O ATOM 532 CB ARG A 344 10.499 45.112 -4.900 1.00 61.34 C ATOM 533 CG ARG A 344 10.377 43.783 -5.629 1.00 54.51 C ATOM 534 CD ARG A 344 11.735 43.267 -6.078 1.00 34.11 C ATOM 535 NE ARG A 344 11.720 41.827 -6.320 1.00 74.23 N ATOM 536 CZ ARG A 344 11.691 40.919 -5.351 1.00 72.33 C ATOM 537 NH1 ARG A 344 11.674 41.300 -4.081 1.00 73.35 N ATOM 538 NH2 ARG A 344 11.679 39.626 -5.652 1.00 13.33 N ATOM 0 H ARG A 344 8.631 43.836 -3.873 1.00 24.41 H new ATOM 0 HA ARG A 344 9.321 46.619 -3.922 1.00 75.32 H new ATOM 0 HB2 ARG A 344 11.071 45.804 -5.518 1.00 61.34 H new ATOM 0 HB3 ARG A 344 11.065 44.962 -3.981 1.00 61.34 H new ATOM 0 HG2 ARG A 344 9.906 43.050 -4.974 1.00 54.51 H new ATOM 0 HG3 ARG A 344 9.727 43.901 -6.496 1.00 54.51 H new ATOM 0 HD2 ARG A 344 12.037 43.785 -6.989 1.00 34.11 H new ATOM 0 HD3 ARG A 344 12.481 43.499 -5.318 1.00 34.11 H new ATOM 0 HE ARG A 344 11.732 41.500 -7.286 1.00 74.23 H new ATOM 0 HH11 ARG A 344 11.683 42.293 -3.846 1.00 73.35 H new ATOM 0 HH12 ARG A 344 11.652 40.601 -3.339 1.00 73.35 H new ATOM 0 HH21 ARG A 344 11.692 39.329 -6.628 1.00 13.33 H new ATOM 0 HH22 ARG A 344 11.657 38.929 -4.907 1.00 13.33 H new ATOM 552 N GLY A 345 7.718 45.294 -6.460 1.00 40.34 N ATOM 553 CA GLY A 345 7.011 45.624 -7.684 1.00 63.03 C ATOM 554 C GLY A 345 6.103 46.827 -7.523 1.00 73.41 C ATOM 555 O GLY A 345 6.335 47.875 -8.126 1.00 43.21 O ATOM 0 H GLY A 345 7.600 44.332 -6.142 1.00 40.34 H new ATOM 0 HA2 GLY A 345 7.734 45.822 -8.475 1.00 63.03 H new ATOM 0 HA3 GLY A 345 6.419 44.765 -8.001 1.00 63.03 H new ATOM 559 N LEU A 346 5.064 46.676 -6.709 1.00 52.10 N ATOM 560 CA LEU A 346 4.115 47.759 -6.471 1.00 61.53 C ATOM 561 C LEU A 346 4.837 49.031 -6.040 1.00 64.04 C ATOM 562 O LEU A 346 4.506 50.127 -6.489 1.00 43.45 O ATOM 563 CB LEU A 346 3.100 47.348 -5.403 1.00 41.00 C ATOM 564 CG LEU A 346 1.637 47.675 -5.706 1.00 4.11 C ATOM 565 CD1 LEU A 346 1.433 49.180 -5.788 1.00 32.15 C ATOM 566 CD2 LEU A 346 1.198 47.004 -6.999 1.00 53.31 C ATOM 0 H LEU A 346 4.857 45.815 -6.203 1.00 52.10 H new ATOM 0 HA LEU A 346 3.590 47.961 -7.405 1.00 61.53 H new ATOM 0 HB2 LEU A 346 3.186 46.273 -5.243 1.00 41.00 H new ATOM 0 HB3 LEU A 346 3.373 47.832 -4.465 1.00 41.00 H new ATOM 0 HG LEU A 346 1.022 47.289 -4.893 1.00 4.11 H new ATOM 0 HD11 LEU A 346 0.386 49.394 -6.004 1.00 32.15 H new ATOM 0 HD12 LEU A 346 1.708 49.637 -4.837 1.00 32.15 H new ATOM 0 HD13 LEU A 346 2.058 49.589 -6.581 1.00 32.15 H new ATOM 0 HD21 LEU A 346 0.155 47.247 -7.199 1.00 53.31 H new ATOM 0 HD22 LEU A 346 1.818 47.360 -7.822 1.00 53.31 H new ATOM 0 HD23 LEU A 346 1.307 45.924 -6.903 1.00 53.31 H new ATOM 578 N GLY A 347 5.828 48.876 -5.167 1.00 45.24 N ATOM 579 CA GLY A 347 6.584 50.021 -4.692 1.00 73.41 C ATOM 580 C GLY A 347 7.280 49.749 -3.374 1.00 23.44 C ATOM 581 O GLY A 347 6.886 50.279 -2.335 1.00 45.00 O ATOM 0 H GLY A 347 6.121 47.979 -4.780 1.00 45.24 H new ATOM 0 HA2 GLY A 347 7.326 50.299 -5.441 1.00 73.41 H new ATOM 0 HA3 GLY A 347 5.914 50.873 -4.576 1.00 73.41 H new TER 585 GLY A 347