USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 284 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 Set 1.1: A 323 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 327 GLN : amide:sc= 0 X(o=0,f=0.092) USER MOD Single : A 307 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 311 MET CE :methyl 166:sc=-0.00128 (180deg=-0.186) USER MOD Single : A 312 ASN : amide:sc= 0.995 K(o=1,f=-0.0068) USER MOD Single : A 317 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 319 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.27) USER MOD Single : A 322 MET CE :methyl 154:sc= 0 (180deg=-1.03) USER MOD Single : A 331 GLN : amide:sc= -0.0782 K(o=-0.078,f=-3!) USER MOD Single : A 332 SER OG : rot 62:sc= 1.19 USER MOD Single : A 333 SER OG : rot 180:sc= 0 USER MOD Single : A 336 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 337 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 339 MET CE :methyl 174:sc= 0 (180deg=-0.0375) USER MOD Single : A 342 SER OG : rot 166:sc= 1.09 USER MOD Single : A 343 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 344 GLN : amide:sc= -0.025 X(o=-0.025,f=-0.32) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 346 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 307 56.109 30.623 16.765 1.00 0.00 N ATOM 2 CA MET A 307 55.335 31.473 15.816 1.00 0.00 C ATOM 3 C MET A 307 55.675 32.910 16.171 1.00 0.00 C ATOM 4 O MET A 307 55.132 33.422 17.133 1.00 0.00 O ATOM 5 CB MET A 307 53.827 31.222 15.942 1.00 0.00 C ATOM 6 CG MET A 307 53.362 29.941 15.230 1.00 0.00 C ATOM 7 SD MET A 307 52.345 28.838 16.256 1.00 0.00 S ATOM 8 CE MET A 307 53.560 28.149 17.404 1.00 0.00 C ATOM 0 HA MET A 307 55.595 31.243 14.783 1.00 0.00 H new ATOM 0 HB2 MET A 307 53.563 31.159 16.998 1.00 0.00 H new ATOM 0 HB3 MET A 307 53.288 32.075 15.529 1.00 0.00 H new ATOM 0 HG2 MET A 307 52.793 30.219 14.343 1.00 0.00 H new ATOM 0 HG3 MET A 307 54.239 29.392 14.887 1.00 0.00 H new ATOM 0 HE1 MET A 307 53.065 27.458 18.086 1.00 0.00 H new ATOM 0 HE2 MET A 307 54.329 27.618 16.844 1.00 0.00 H new ATOM 0 HE3 MET A 307 54.019 28.956 17.975 1.00 0.00 H new ATOM 20 N GLY A 308 56.704 33.469 15.534 1.00 0.00 N ATOM 21 CA GLY A 308 57.587 34.350 16.306 1.00 0.00 C ATOM 22 C GLY A 308 58.094 33.571 17.532 1.00 0.00 C ATOM 23 O GLY A 308 58.407 32.386 17.401 1.00 0.00 O ATOM 0 H GLY A 308 56.940 33.342 14.550 1.00 0.00 H new ATOM 0 HA2 GLY A 308 58.425 34.680 15.692 1.00 0.00 H new ATOM 0 HA3 GLY A 308 57.050 35.245 16.620 1.00 0.00 H new ATOM 27 N GLY A 309 58.072 34.196 18.713 1.00 0.00 N ATOM 28 CA GLY A 309 58.343 33.542 19.991 1.00 0.00 C ATOM 29 C GLY A 309 57.215 32.623 20.498 1.00 0.00 C ATOM 30 O GLY A 309 56.513 31.972 19.722 1.00 0.00 O ATOM 0 H GLY A 309 57.861 35.190 18.806 1.00 0.00 H new ATOM 0 HA2 GLY A 309 59.256 32.955 19.896 1.00 0.00 H new ATOM 0 HA3 GLY A 309 58.534 34.308 20.742 1.00 0.00 H new ATOM 34 N GLY A 310 57.043 32.579 21.833 1.00 0.00 N ATOM 35 CA GLY A 310 56.125 31.683 22.550 1.00 0.00 C ATOM 36 C GLY A 310 54.636 32.073 22.529 1.00 0.00 C ATOM 37 O GLY A 310 53.827 31.412 23.173 1.00 0.00 O ATOM 0 H GLY A 310 57.561 33.192 22.463 1.00 0.00 H new ATOM 0 HA2 GLY A 310 56.223 30.683 22.127 1.00 0.00 H new ATOM 0 HA3 GLY A 310 56.448 31.622 23.589 1.00 0.00 H new ATOM 41 N MET A 311 54.265 33.148 21.817 1.00 0.00 N ATOM 42 CA MET A 311 52.911 33.706 21.638 1.00 0.00 C ATOM 43 C MET A 311 52.069 34.070 22.884 1.00 0.00 C ATOM 44 O MET A 311 51.129 34.828 22.732 1.00 0.00 O ATOM 45 CB MET A 311 52.098 32.869 20.649 1.00 0.00 C ATOM 46 CG MET A 311 52.588 33.095 19.207 1.00 0.00 C ATOM 47 SD MET A 311 51.356 32.742 17.922 1.00 0.00 S ATOM 48 CE MET A 311 50.210 34.131 18.177 1.00 0.00 C ATOM 0 H MET A 311 54.959 33.696 21.309 1.00 0.00 H new ATOM 0 HA MET A 311 53.137 34.694 21.237 1.00 0.00 H new ATOM 0 HB2 MET A 311 52.182 31.813 20.905 1.00 0.00 H new ATOM 0 HB3 MET A 311 51.043 33.132 20.725 1.00 0.00 H new ATOM 0 HG2 MET A 311 52.911 34.131 19.106 1.00 0.00 H new ATOM 0 HG3 MET A 311 53.464 32.469 19.033 1.00 0.00 H new ATOM 0 HE1 MET A 311 49.537 34.209 17.323 1.00 0.00 H new ATOM 0 HE2 MET A 311 49.628 33.961 19.083 1.00 0.00 H new ATOM 0 HE3 MET A 311 50.777 35.056 18.278 1.00 0.00 H new ATOM 58 N ASN A 312 52.418 33.633 24.103 1.00 0.00 N ATOM 59 CA ASN A 312 51.571 33.624 25.316 1.00 0.00 C ATOM 60 C ASN A 312 51.077 35.008 25.843 1.00 0.00 C ATOM 61 O ASN A 312 50.515 35.059 26.938 1.00 0.00 O ATOM 62 CB ASN A 312 52.352 32.843 26.400 1.00 0.00 C ATOM 63 CG ASN A 312 51.481 31.949 27.284 1.00 0.00 C ATOM 64 OD1 ASN A 312 51.735 30.774 27.416 1.00 0.00 O ATOM 65 ND2 ASN A 312 50.452 32.461 27.907 1.00 0.00 N ATOM 0 H ASN A 312 53.348 33.255 24.284 1.00 0.00 H new ATOM 0 HA ASN A 312 50.630 33.144 25.046 1.00 0.00 H new ATOM 0 HB2 ASN A 312 53.108 32.227 25.913 1.00 0.00 H new ATOM 0 HB3 ASN A 312 52.881 33.555 27.033 1.00 0.00 H new ATOM 0 HD21 ASN A 312 49.869 31.870 28.500 1.00 0.00 H new ATOM 0 HD22 ASN A 312 50.232 33.451 27.800 1.00 0.00 H new ATOM 72 N PHE A 313 51.317 36.109 25.133 1.00 0.00 N ATOM 73 CA PHE A 313 50.764 37.448 25.444 1.00 0.00 C ATOM 74 C PHE A 313 50.872 38.447 24.275 1.00 0.00 C ATOM 75 O PHE A 313 50.232 39.495 24.281 1.00 0.00 O ATOM 76 CB PHE A 313 51.494 38.031 26.665 1.00 0.00 C ATOM 77 CG PHE A 313 50.942 39.329 27.251 1.00 0.00 C ATOM 78 CD1 PHE A 313 49.554 39.601 27.274 1.00 0.00 C ATOM 79 CD2 PHE A 313 51.836 40.264 27.807 1.00 0.00 C ATOM 80 CE1 PHE A 313 49.079 40.805 27.812 1.00 0.00 C ATOM 81 CE2 PHE A 313 51.352 41.460 28.367 1.00 0.00 C ATOM 82 CZ PHE A 313 49.973 41.739 28.349 1.00 0.00 C ATOM 0 H PHE A 313 51.913 36.107 24.305 1.00 0.00 H new ATOM 0 HA PHE A 313 49.702 37.305 25.645 1.00 0.00 H new ATOM 0 HB2 PHE A 313 51.492 37.277 27.452 1.00 0.00 H new ATOM 0 HB3 PHE A 313 52.535 38.200 26.388 1.00 0.00 H new ATOM 0 HD1 PHE A 313 48.858 38.878 26.875 1.00 0.00 H new ATOM 0 HD2 PHE A 313 52.897 40.062 27.803 1.00 0.00 H new ATOM 0 HE1 PHE A 313 48.019 41.013 27.812 1.00 0.00 H new ATOM 0 HE2 PHE A 313 52.039 42.165 28.811 1.00 0.00 H new ATOM 0 HZ PHE A 313 49.605 42.672 28.749 1.00 0.00 H new ATOM 92 N GLY A 314 51.747 38.211 23.289 1.00 0.00 N ATOM 93 CA GLY A 314 52.050 39.176 22.215 1.00 0.00 C ATOM 94 C GLY A 314 52.922 40.365 22.664 1.00 0.00 C ATOM 95 O GLY A 314 53.804 40.787 21.912 1.00 0.00 O ATOM 0 H GLY A 314 52.271 37.339 23.210 1.00 0.00 H new ATOM 0 HA2 GLY A 314 52.557 38.653 21.404 1.00 0.00 H new ATOM 0 HA3 GLY A 314 51.113 39.559 21.810 1.00 0.00 H new ATOM 99 N ALA A 315 52.721 40.893 23.880 1.00 0.00 N ATOM 100 CA ALA A 315 53.394 42.105 24.357 1.00 0.00 C ATOM 101 C ALA A 315 54.698 41.871 25.138 1.00 0.00 C ATOM 102 O ALA A 315 55.439 42.825 25.378 1.00 0.00 O ATOM 103 CB ALA A 315 52.408 42.923 25.196 1.00 0.00 C ATOM 0 H ALA A 315 52.082 40.487 24.563 1.00 0.00 H new ATOM 0 HA ALA A 315 53.705 42.648 23.465 1.00 0.00 H new ATOM 0 HB1 ALA A 315 52.899 43.827 25.556 1.00 0.00 H new ATOM 0 HB2 ALA A 315 51.548 43.196 24.584 1.00 0.00 H new ATOM 0 HB3 ALA A 315 52.074 42.329 26.046 1.00 0.00 H new ATOM 109 N PHE A 316 55.004 40.634 25.542 1.00 0.00 N ATOM 110 CA PHE A 316 56.290 40.310 26.180 1.00 0.00 C ATOM 111 C PHE A 316 56.716 38.857 25.952 1.00 0.00 C ATOM 112 O PHE A 316 57.847 38.600 25.548 1.00 0.00 O ATOM 113 CB PHE A 316 56.249 40.666 27.672 1.00 0.00 C ATOM 114 CG PHE A 316 57.497 41.381 28.127 1.00 0.00 C ATOM 115 CD1 PHE A 316 58.630 40.652 28.559 1.00 0.00 C ATOM 116 CD2 PHE A 316 57.560 42.792 28.086 1.00 0.00 C ATOM 117 CE1 PHE A 316 59.796 41.335 28.961 1.00 0.00 C ATOM 118 CE2 PHE A 316 58.725 43.463 28.478 1.00 0.00 C ATOM 119 CZ PHE A 316 59.838 42.735 28.921 1.00 0.00 C ATOM 0 H PHE A 316 54.378 39.836 25.439 1.00 0.00 H new ATOM 0 HA PHE A 316 57.055 40.921 25.701 1.00 0.00 H new ATOM 0 HB2 PHE A 316 55.381 41.295 27.869 1.00 0.00 H new ATOM 0 HB3 PHE A 316 56.122 39.755 28.257 1.00 0.00 H new ATOM 0 HD1 PHE A 316 58.602 39.573 28.581 1.00 0.00 H new ATOM 0 HD2 PHE A 316 56.703 43.357 27.750 1.00 0.00 H new ATOM 0 HE1 PHE A 316 60.657 40.779 29.300 1.00 0.00 H new ATOM 0 HE2 PHE A 316 58.766 44.542 28.439 1.00 0.00 H new ATOM 0 HZ PHE A 316 60.732 43.255 29.233 1.00 0.00 H new ATOM 129 N SER A 317 55.792 37.901 26.100 1.00 0.00 N ATOM 130 CA SER A 317 56.003 36.439 26.003 1.00 0.00 C ATOM 131 C SER A 317 56.336 35.906 24.591 1.00 0.00 C ATOM 132 O SER A 317 56.080 34.742 24.263 1.00 0.00 O ATOM 133 CB SER A 317 54.779 35.695 26.562 1.00 0.00 C ATOM 134 OG SER A 317 54.225 36.399 27.671 1.00 0.00 O ATOM 0 H SER A 317 54.819 38.132 26.302 1.00 0.00 H new ATOM 0 HA SER A 317 56.894 36.243 26.600 1.00 0.00 H new ATOM 0 HB2 SER A 317 54.026 35.585 25.782 1.00 0.00 H new ATOM 0 HB3 SER A 317 55.067 34.690 26.870 1.00 0.00 H new ATOM 0 HG SER A 317 53.446 35.911 28.012 1.00 0.00 H new ATOM 140 N ILE A 318 56.806 36.782 23.695 1.00 0.00 N ATOM 141 CA ILE A 318 57.142 36.500 22.295 1.00 0.00 C ATOM 142 C ILE A 318 58.131 37.560 21.775 1.00 0.00 C ATOM 143 O ILE A 318 59.131 37.199 21.164 1.00 0.00 O ATOM 144 CB ILE A 318 55.879 36.355 21.389 1.00 0.00 C ATOM 145 CG1 ILE A 318 56.043 36.935 19.966 1.00 0.00 C ATOM 146 CG2 ILE A 318 54.581 36.889 22.021 1.00 0.00 C ATOM 147 CD1 ILE A 318 55.031 36.407 18.934 1.00 0.00 C ATOM 0 H ILE A 318 56.971 37.758 23.940 1.00 0.00 H new ATOM 0 HA ILE A 318 57.631 35.527 22.250 1.00 0.00 H new ATOM 0 HB ILE A 318 55.784 35.273 21.296 1.00 0.00 H new ATOM 0 HG12 ILE A 318 55.955 38.020 20.019 1.00 0.00 H new ATOM 0 HG13 ILE A 318 57.050 36.714 19.613 1.00 0.00 H new ATOM 0 HG21 ILE A 318 53.753 36.749 21.325 1.00 0.00 H new ATOM 0 HG22 ILE A 318 54.375 36.346 22.943 1.00 0.00 H new ATOM 0 HG23 ILE A 318 54.694 37.950 22.242 1.00 0.00 H new ATOM 0 HD11 ILE A 318 55.224 36.870 17.966 1.00 0.00 H new ATOM 0 HD12 ILE A 318 55.132 35.325 18.846 1.00 0.00 H new ATOM 0 HD13 ILE A 318 54.019 36.652 19.258 1.00 0.00 H new ATOM 159 N ASN A 319 57.843 38.841 22.009 1.00 0.00 N ATOM 160 CA ASN A 319 58.657 39.990 21.601 1.00 0.00 C ATOM 161 C ASN A 319 58.433 41.155 22.602 1.00 0.00 C ATOM 162 O ASN A 319 57.349 41.205 23.199 1.00 0.00 O ATOM 163 CB ASN A 319 58.220 40.455 20.193 1.00 0.00 C ATOM 164 CG ASN A 319 58.551 39.500 19.061 1.00 0.00 C ATOM 165 OD1 ASN A 319 57.684 39.054 18.338 1.00 0.00 O ATOM 166 ND2 ASN A 319 59.809 39.186 18.846 1.00 0.00 N ATOM 0 H ASN A 319 56.999 39.120 22.510 1.00 0.00 H new ATOM 0 HA ASN A 319 59.709 39.704 21.588 1.00 0.00 H new ATOM 0 HB2 ASN A 319 57.143 40.622 20.202 1.00 0.00 H new ATOM 0 HB3 ASN A 319 58.690 41.416 19.984 1.00 0.00 H new ATOM 0 HD21 ASN A 319 60.055 38.568 18.073 1.00 0.00 H new ATOM 0 HD22 ASN A 319 60.539 39.560 19.453 1.00 0.00 H new ATOM 173 N PRO A 320 59.369 42.110 22.734 1.00 0.00 N ATOM 174 CA PRO A 320 59.198 43.304 23.571 1.00 0.00 C ATOM 175 C PRO A 320 58.158 44.248 22.929 1.00 0.00 C ATOM 176 O PRO A 320 58.474 44.982 22.000 1.00 0.00 O ATOM 177 CB PRO A 320 60.589 43.932 23.665 1.00 0.00 C ATOM 178 CG PRO A 320 61.258 43.524 22.349 1.00 0.00 C ATOM 179 CD PRO A 320 60.682 42.136 22.081 1.00 0.00 C ATOM 0 HA PRO A 320 58.818 43.079 24.567 1.00 0.00 H new ATOM 0 HB2 PRO A 320 60.534 45.016 23.767 1.00 0.00 H new ATOM 0 HB3 PRO A 320 61.140 43.558 24.528 1.00 0.00 H new ATOM 0 HG2 PRO A 320 61.022 44.220 21.544 1.00 0.00 H new ATOM 0 HG3 PRO A 320 62.344 43.499 22.440 1.00 0.00 H new ATOM 0 HD2 PRO A 320 60.589 41.952 21.011 1.00 0.00 H new ATOM 0 HD3 PRO A 320 61.333 41.359 22.483 1.00 0.00 H new ATOM 187 N ALA A 321 56.906 44.169 23.392 1.00 0.00 N ATOM 188 CA ALA A 321 55.710 44.873 22.894 1.00 0.00 C ATOM 189 C ALA A 321 55.322 44.661 21.411 1.00 0.00 C ATOM 190 O ALA A 321 54.148 44.856 21.079 1.00 0.00 O ATOM 191 CB ALA A 321 55.773 46.337 23.330 1.00 0.00 C ATOM 0 H ALA A 321 56.681 43.567 24.184 1.00 0.00 H new ATOM 0 HA ALA A 321 54.858 44.387 23.369 1.00 0.00 H new ATOM 0 HB1 ALA A 321 54.891 46.864 22.965 1.00 0.00 H new ATOM 0 HB2 ALA A 321 55.804 46.392 24.418 1.00 0.00 H new ATOM 0 HB3 ALA A 321 56.669 46.801 22.918 1.00 0.00 H new ATOM 197 N MET A 322 56.230 44.221 20.528 1.00 0.00 N ATOM 198 CA MET A 322 56.065 44.249 19.059 1.00 0.00 C ATOM 199 C MET A 322 54.765 43.621 18.559 1.00 0.00 C ATOM 200 O MET A 322 54.038 44.264 17.804 1.00 0.00 O ATOM 201 CB MET A 322 57.238 43.529 18.344 1.00 0.00 C ATOM 202 CG MET A 322 58.658 44.003 18.669 1.00 0.00 C ATOM 203 SD MET A 322 59.309 45.383 17.690 1.00 0.00 S ATOM 204 CE MET A 322 58.465 46.804 18.420 1.00 0.00 C ATOM 0 H MET A 322 57.124 43.825 20.818 1.00 0.00 H new ATOM 0 HA MET A 322 56.045 45.311 18.815 1.00 0.00 H new ATOM 0 HB2 MET A 322 57.175 42.467 18.580 1.00 0.00 H new ATOM 0 HB3 MET A 322 57.088 43.626 17.269 1.00 0.00 H new ATOM 0 HG2 MET A 322 58.687 44.290 19.720 1.00 0.00 H new ATOM 0 HG3 MET A 322 59.333 43.156 18.551 1.00 0.00 H new ATOM 0 HE1 MET A 322 59.066 47.701 18.269 1.00 0.00 H new ATOM 0 HE2 MET A 322 57.493 46.934 17.944 1.00 0.00 H new ATOM 0 HE3 MET A 322 58.326 46.635 19.488 1.00 0.00 H new ATOM 214 N MET A 323 54.460 42.377 18.941 1.00 0.00 N ATOM 215 CA MET A 323 53.373 41.618 18.311 1.00 0.00 C ATOM 216 C MET A 323 51.998 42.083 18.801 1.00 0.00 C ATOM 217 O MET A 323 51.094 42.283 17.995 1.00 0.00 O ATOM 218 CB MET A 323 53.597 40.106 18.498 1.00 0.00 C ATOM 219 CG MET A 323 52.640 39.261 17.657 1.00 0.00 C ATOM 220 SD MET A 323 51.522 38.215 18.633 1.00 0.00 S ATOM 221 CE MET A 323 49.950 38.650 17.840 1.00 0.00 C ATOM 0 H MET A 323 54.949 41.874 19.682 1.00 0.00 H new ATOM 0 HA MET A 323 53.387 41.817 17.239 1.00 0.00 H new ATOM 0 HB2 MET A 323 54.624 39.859 18.231 1.00 0.00 H new ATOM 0 HB3 MET A 323 53.471 39.851 19.550 1.00 0.00 H new ATOM 0 HG2 MET A 323 52.045 39.923 17.028 1.00 0.00 H new ATOM 0 HG3 MET A 323 53.223 38.627 16.989 1.00 0.00 H new ATOM 0 HE1 MET A 323 49.138 38.097 18.314 1.00 0.00 H new ATOM 0 HE2 MET A 323 49.772 39.720 17.948 1.00 0.00 H new ATOM 0 HE3 MET A 323 49.994 38.394 16.781 1.00 0.00 H new ATOM 231 N ALA A 324 51.838 42.346 20.104 1.00 0.00 N ATOM 232 CA ALA A 324 50.605 42.933 20.620 1.00 0.00 C ATOM 233 C ALA A 324 50.376 44.351 20.099 1.00 0.00 C ATOM 234 O ALA A 324 49.243 44.675 19.756 1.00 0.00 O ATOM 235 CB ALA A 324 50.602 42.910 22.147 1.00 0.00 C ATOM 0 H ALA A 324 52.546 42.161 20.814 1.00 0.00 H new ATOM 0 HA ALA A 324 49.778 42.323 20.255 1.00 0.00 H new ATOM 0 HB1 ALA A 324 49.676 43.351 22.516 1.00 0.00 H new ATOM 0 HB2 ALA A 324 50.677 41.880 22.496 1.00 0.00 H new ATOM 0 HB3 ALA A 324 51.451 43.482 22.521 1.00 0.00 H new ATOM 241 N ALA A 325 51.420 45.187 19.973 1.00 0.00 N ATOM 242 CA ALA A 325 51.276 46.509 19.375 1.00 0.00 C ATOM 243 C ALA A 325 50.890 46.427 17.893 1.00 0.00 C ATOM 244 O ALA A 325 49.958 47.116 17.485 1.00 0.00 O ATOM 245 CB ALA A 325 52.565 47.308 19.592 1.00 0.00 C ATOM 0 H ALA A 325 52.367 44.964 20.279 1.00 0.00 H new ATOM 0 HA ALA A 325 50.456 47.031 19.869 1.00 0.00 H new ATOM 0 HB1 ALA A 325 52.460 48.297 19.146 1.00 0.00 H new ATOM 0 HB2 ALA A 325 52.754 47.410 20.661 1.00 0.00 H new ATOM 0 HB3 ALA A 325 53.400 46.786 19.124 1.00 0.00 H new ATOM 251 N ALA A 326 51.517 45.545 17.104 1.00 0.00 N ATOM 252 CA ALA A 326 51.183 45.367 15.686 1.00 0.00 C ATOM 253 C ALA A 326 49.728 44.891 15.484 1.00 0.00 C ATOM 254 O ALA A 326 49.034 45.427 14.624 1.00 0.00 O ATOM 255 CB ALA A 326 52.187 44.384 15.068 1.00 0.00 C ATOM 0 H ALA A 326 52.268 44.937 17.430 1.00 0.00 H new ATOM 0 HA ALA A 326 51.254 46.331 15.182 1.00 0.00 H new ATOM 0 HB1 ALA A 326 51.953 44.240 14.013 1.00 0.00 H new ATOM 0 HB2 ALA A 326 53.196 44.785 15.165 1.00 0.00 H new ATOM 0 HB3 ALA A 326 52.126 43.427 15.587 1.00 0.00 H new ATOM 261 N GLN A 327 49.243 43.949 16.295 1.00 0.00 N ATOM 262 CA GLN A 327 47.847 43.526 16.266 1.00 0.00 C ATOM 263 C GLN A 327 46.889 44.621 16.774 1.00 0.00 C ATOM 264 O GLN A 327 45.872 44.884 16.139 1.00 0.00 O ATOM 265 CB GLN A 327 47.667 42.198 17.040 1.00 0.00 C ATOM 266 CG GLN A 327 47.464 41.000 16.100 1.00 0.00 C ATOM 267 CD GLN A 327 48.631 40.705 15.155 1.00 0.00 C ATOM 268 OE1 GLN A 327 49.797 40.860 15.474 1.00 0.00 O ATOM 269 NE2 GLN A 327 48.363 40.222 13.967 1.00 0.00 N ATOM 0 H GLN A 327 49.809 43.460 16.989 1.00 0.00 H new ATOM 0 HA GLN A 327 47.579 43.351 15.224 1.00 0.00 H new ATOM 0 HB2 GLN A 327 48.542 42.023 17.665 1.00 0.00 H new ATOM 0 HB3 GLN A 327 46.810 42.282 17.708 1.00 0.00 H new ATOM 0 HG2 GLN A 327 47.274 40.113 16.704 1.00 0.00 H new ATOM 0 HG3 GLN A 327 46.570 41.176 15.502 1.00 0.00 H new ATOM 0 HE21 GLN A 327 47.394 40.084 13.679 1.00 0.00 H new ATOM 0 HE22 GLN A 327 49.123 39.984 13.330 1.00 0.00 H new ATOM 278 N ALA A 328 47.185 45.270 17.899 1.00 0.00 N ATOM 279 CA ALA A 328 46.271 46.223 18.525 1.00 0.00 C ATOM 280 C ALA A 328 46.277 47.622 17.895 1.00 0.00 C ATOM 281 O ALA A 328 45.302 48.363 18.077 1.00 0.00 O ATOM 282 CB ALA A 328 46.538 46.277 20.035 1.00 0.00 C ATOM 0 H ALA A 328 48.064 45.150 18.402 1.00 0.00 H new ATOM 0 HA ALA A 328 45.262 45.853 18.343 1.00 0.00 H new ATOM 0 HB1 ALA A 328 45.855 46.988 20.500 1.00 0.00 H new ATOM 0 HB2 ALA A 328 46.382 45.289 20.468 1.00 0.00 H new ATOM 0 HB3 ALA A 328 47.566 46.592 20.212 1.00 0.00 H new ATOM 288 N ALA A 329 47.298 48.001 17.120 1.00 0.00 N ATOM 289 CA ALA A 329 47.433 49.318 16.479 1.00 0.00 C ATOM 290 C ALA A 329 46.190 49.701 15.675 1.00 0.00 C ATOM 291 O ALA A 329 45.619 50.772 15.876 1.00 0.00 O ATOM 292 CB ALA A 329 48.684 49.306 15.581 1.00 0.00 C ATOM 0 H ALA A 329 48.081 47.381 16.913 1.00 0.00 H new ATOM 0 HA ALA A 329 47.540 50.073 17.258 1.00 0.00 H new ATOM 0 HB1 ALA A 329 48.796 50.277 15.099 1.00 0.00 H new ATOM 0 HB2 ALA A 329 49.565 49.098 16.188 1.00 0.00 H new ATOM 0 HB3 ALA A 329 48.578 48.534 14.819 1.00 0.00 H new ATOM 298 N LEU A 330 45.732 48.810 14.795 1.00 0.00 N ATOM 299 CA LEU A 330 44.488 48.984 14.026 1.00 0.00 C ATOM 300 C LEU A 330 43.254 48.423 14.753 1.00 0.00 C ATOM 301 O LEU A 330 42.161 48.979 14.582 1.00 0.00 O ATOM 302 CB LEU A 330 44.660 48.510 12.576 1.00 0.00 C ATOM 303 CG LEU A 330 45.486 47.222 12.309 1.00 0.00 C ATOM 304 CD1 LEU A 330 44.892 45.979 12.955 1.00 0.00 C ATOM 305 CD2 LEU A 330 45.568 46.984 10.797 1.00 0.00 C ATOM 0 H LEU A 330 46.216 47.936 14.590 1.00 0.00 H new ATOM 0 HA LEU A 330 44.280 50.052 13.958 1.00 0.00 H new ATOM 0 HB2 LEU A 330 43.665 48.358 12.157 1.00 0.00 H new ATOM 0 HB3 LEU A 330 45.122 49.322 12.015 1.00 0.00 H new ATOM 0 HG LEU A 330 46.469 47.384 12.750 1.00 0.00 H new ATOM 0 HD11 LEU A 330 45.519 45.116 12.728 1.00 0.00 H new ATOM 0 HD12 LEU A 330 44.843 46.118 14.035 1.00 0.00 H new ATOM 0 HD13 LEU A 330 43.888 45.811 12.565 1.00 0.00 H new ATOM 0 HD21 LEU A 330 46.147 46.081 10.602 1.00 0.00 H new ATOM 0 HD22 LEU A 330 44.563 46.865 10.392 1.00 0.00 H new ATOM 0 HD23 LEU A 330 46.053 47.836 10.320 1.00 0.00 H new ATOM 317 N GLN A 331 43.402 47.409 15.610 1.00 0.00 N ATOM 318 CA GLN A 331 42.278 46.849 16.362 1.00 0.00 C ATOM 319 C GLN A 331 41.692 47.846 17.372 1.00 0.00 C ATOM 320 O GLN A 331 40.492 47.784 17.651 1.00 0.00 O ATOM 321 CB GLN A 331 42.687 45.553 17.077 1.00 0.00 C ATOM 322 CG GLN A 331 41.541 44.546 17.189 1.00 0.00 C ATOM 323 CD GLN A 331 41.346 43.765 15.898 1.00 0.00 C ATOM 324 OE1 GLN A 331 41.144 44.312 14.825 1.00 0.00 O ATOM 325 NE2 GLN A 331 41.444 42.453 15.926 1.00 0.00 N ATOM 0 H GLN A 331 44.296 46.957 15.800 1.00 0.00 H new ATOM 0 HA GLN A 331 41.499 46.625 15.634 1.00 0.00 H new ATOM 0 HB2 GLN A 331 43.516 45.093 16.539 1.00 0.00 H new ATOM 0 HB3 GLN A 331 43.050 45.795 18.076 1.00 0.00 H new ATOM 0 HG2 GLN A 331 41.745 43.853 18.006 1.00 0.00 H new ATOM 0 HG3 GLN A 331 40.619 45.071 17.439 1.00 0.00 H new ATOM 0 HE21 GLN A 331 41.613 41.973 16.810 1.00 0.00 H new ATOM 0 HE22 GLN A 331 41.351 41.916 15.064 1.00 0.00 H new ATOM 334 N SER A 332 42.483 48.798 17.861 1.00 0.00 N ATOM 335 CA SER A 332 42.033 49.876 18.749 1.00 0.00 C ATOM 336 C SER A 332 40.931 50.720 18.097 1.00 0.00 C ATOM 337 O SER A 332 39.994 51.116 18.783 1.00 0.00 O ATOM 338 CB SER A 332 43.200 50.798 19.134 1.00 0.00 C ATOM 339 OG SER A 332 44.185 50.069 19.833 1.00 0.00 O ATOM 0 H SER A 332 43.479 48.846 17.648 1.00 0.00 H new ATOM 0 HA SER A 332 41.634 49.399 19.644 1.00 0.00 H new ATOM 0 HB2 SER A 332 43.633 51.242 18.238 1.00 0.00 H new ATOM 0 HB3 SER A 332 42.836 51.618 19.753 1.00 0.00 H new ATOM 0 HG SER A 332 44.548 49.369 19.251 1.00 0.00 H new ATOM 345 N SER A 333 40.995 50.947 16.773 1.00 0.00 N ATOM 346 CA SER A 333 39.958 51.672 16.016 1.00 0.00 C ATOM 347 C SER A 333 38.629 50.919 16.018 1.00 0.00 C ATOM 348 O SER A 333 37.591 51.456 16.418 1.00 0.00 O ATOM 349 CB SER A 333 40.458 51.908 14.582 1.00 0.00 C ATOM 350 OG SER A 333 39.555 52.738 13.892 1.00 0.00 O ATOM 0 H SER A 333 41.773 50.631 16.194 1.00 0.00 H new ATOM 0 HA SER A 333 39.775 52.632 16.499 1.00 0.00 H new ATOM 0 HB2 SER A 333 41.446 52.368 14.603 1.00 0.00 H new ATOM 0 HB3 SER A 333 40.561 50.956 14.062 1.00 0.00 H new ATOM 0 HG SER A 333 39.879 52.887 12.979 1.00 0.00 H new ATOM 356 N TRP A 334 38.651 49.631 15.666 1.00 0.00 N ATOM 357 CA TRP A 334 37.462 48.768 15.680 1.00 0.00 C ATOM 358 C TRP A 334 36.912 48.572 17.103 1.00 0.00 C ATOM 359 O TRP A 334 35.701 48.615 17.325 1.00 0.00 O ATOM 360 CB TRP A 334 37.809 47.435 15.006 1.00 0.00 C ATOM 361 CG TRP A 334 38.411 47.564 13.635 1.00 0.00 C ATOM 362 CD1 TRP A 334 39.600 47.047 13.237 1.00 0.00 C ATOM 363 CD2 TRP A 334 37.876 48.267 12.466 1.00 0.00 C ATOM 364 NE1 TRP A 334 39.846 47.394 11.927 1.00 0.00 N ATOM 365 CE2 TRP A 334 38.829 48.155 11.397 1.00 0.00 C ATOM 366 CE3 TRP A 334 36.700 48.987 12.187 1.00 0.00 C ATOM 367 CZ2 TRP A 334 38.619 48.740 10.141 1.00 0.00 C ATOM 368 CZ3 TRP A 334 36.470 49.572 10.932 1.00 0.00 C ATOM 369 CH2 TRP A 334 37.424 49.453 9.904 1.00 0.00 C ATOM 0 H TRP A 334 39.499 49.152 15.361 1.00 0.00 H new ATOM 0 HA TRP A 334 36.662 49.251 15.118 1.00 0.00 H new ATOM 0 HB2 TRP A 334 38.505 46.891 15.644 1.00 0.00 H new ATOM 0 HB3 TRP A 334 36.904 46.832 14.935 1.00 0.00 H new ATOM 0 HD1 TRP A 334 40.256 46.452 13.855 1.00 0.00 H new ATOM 0 HE1 TRP A 334 40.682 47.120 11.411 1.00 0.00 H new ATOM 0 HE3 TRP A 334 35.953 49.093 12.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 334 39.363 48.646 9.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 334 35.555 50.117 10.754 1.00 0.00 H new ATOM 0 HH2 TRP A 334 37.243 49.904 8.940 1.00 0.00 H new ATOM 380 N GLY A 335 37.806 48.465 18.094 1.00 0.00 N ATOM 381 CA GLY A 335 37.487 48.388 19.519 1.00 0.00 C ATOM 382 C GLY A 335 36.773 49.624 20.066 1.00 0.00 C ATOM 383 O GLY A 335 35.992 49.475 21.004 1.00 0.00 O ATOM 0 H GLY A 335 38.809 48.429 17.915 1.00 0.00 H new ATOM 0 HA2 GLY A 335 36.861 47.513 19.694 1.00 0.00 H new ATOM 0 HA3 GLY A 335 38.410 48.237 20.079 1.00 0.00 H new ATOM 387 N MET A 336 36.939 50.814 19.473 1.00 0.00 N ATOM 388 CA MET A 336 36.177 52.001 19.875 1.00 0.00 C ATOM 389 C MET A 336 34.674 51.824 19.644 1.00 0.00 C ATOM 390 O MET A 336 33.863 52.307 20.439 1.00 0.00 O ATOM 391 CB MET A 336 36.639 53.280 19.152 1.00 0.00 C ATOM 392 CG MET A 336 38.130 53.552 19.317 1.00 0.00 C ATOM 393 SD MET A 336 38.596 55.301 19.284 1.00 0.00 S ATOM 394 CE MET A 336 40.378 55.106 19.539 1.00 0.00 C ATOM 0 H MET A 336 37.597 50.979 18.711 1.00 0.00 H new ATOM 0 HA MET A 336 36.371 52.114 20.942 1.00 0.00 H new ATOM 0 HB2 MET A 336 36.406 53.195 18.091 1.00 0.00 H new ATOM 0 HB3 MET A 336 36.076 54.131 19.535 1.00 0.00 H new ATOM 0 HG2 MET A 336 38.460 53.121 20.262 1.00 0.00 H new ATOM 0 HG3 MET A 336 38.669 53.033 18.524 1.00 0.00 H new ATOM 0 HE1 MET A 336 40.853 56.087 19.550 1.00 0.00 H new ATOM 0 HE2 MET A 336 40.557 54.606 20.491 1.00 0.00 H new ATOM 0 HE3 MET A 336 40.798 54.508 18.730 1.00 0.00 H new ATOM 404 N MET A 337 34.280 51.100 18.589 1.00 0.00 N ATOM 405 CA MET A 337 32.875 50.753 18.355 1.00 0.00 C ATOM 406 C MET A 337 32.430 49.563 19.211 1.00 0.00 C ATOM 407 O MET A 337 31.334 49.610 19.769 1.00 0.00 O ATOM 408 CB MET A 337 32.616 50.518 16.858 1.00 0.00 C ATOM 409 CG MET A 337 32.874 51.803 16.053 1.00 0.00 C ATOM 410 SD MET A 337 32.337 51.755 14.325 1.00 0.00 S ATOM 411 CE MET A 337 33.626 50.722 13.597 1.00 0.00 C ATOM 0 H MET A 337 34.920 50.742 17.880 1.00 0.00 H new ATOM 0 HA MET A 337 32.264 51.600 18.667 1.00 0.00 H new ATOM 0 HB2 MET A 337 33.261 49.719 16.493 1.00 0.00 H new ATOM 0 HB3 MET A 337 31.587 50.190 16.709 1.00 0.00 H new ATOM 0 HG2 MET A 337 32.369 52.631 16.550 1.00 0.00 H new ATOM 0 HG3 MET A 337 33.942 52.020 16.078 1.00 0.00 H new ATOM 0 HE1 MET A 337 33.435 50.599 12.531 1.00 0.00 H new ATOM 0 HE2 MET A 337 34.597 51.197 13.739 1.00 0.00 H new ATOM 0 HE3 MET A 337 33.626 49.745 14.081 1.00 0.00 H new ATOM 421 N GLY A 338 33.299 48.557 19.383 1.00 0.00 N ATOM 422 CA GLY A 338 33.056 47.408 20.268 1.00 0.00 C ATOM 423 C GLY A 338 32.743 47.832 21.707 1.00 0.00 C ATOM 424 O GLY A 338 31.640 47.602 22.174 1.00 0.00 O ATOM 0 H GLY A 338 34.200 48.517 18.907 1.00 0.00 H new ATOM 0 HA2 GLY A 338 32.225 46.821 19.877 1.00 0.00 H new ATOM 0 HA3 GLY A 338 33.933 46.760 20.266 1.00 0.00 H new ATOM 428 N MET A 339 33.650 48.555 22.368 1.00 0.00 N ATOM 429 CA MET A 339 33.476 48.956 23.773 1.00 0.00 C ATOM 430 C MET A 339 32.184 49.755 24.035 1.00 0.00 C ATOM 431 O MET A 339 31.589 49.614 25.095 1.00 0.00 O ATOM 432 CB MET A 339 34.687 49.754 24.264 1.00 0.00 C ATOM 433 CG MET A 339 35.955 48.892 24.379 1.00 0.00 C ATOM 434 SD MET A 339 37.240 49.590 25.446 1.00 0.00 S ATOM 435 CE MET A 339 36.527 49.229 27.079 1.00 0.00 C ATOM 0 H MET A 339 34.522 48.879 21.951 1.00 0.00 H new ATOM 0 HA MET A 339 33.390 48.026 24.336 1.00 0.00 H new ATOM 0 HB2 MET A 339 34.875 50.581 23.579 1.00 0.00 H new ATOM 0 HB3 MET A 339 34.460 50.191 25.236 1.00 0.00 H new ATOM 0 HG2 MET A 339 35.678 47.909 24.760 1.00 0.00 H new ATOM 0 HG3 MET A 339 36.369 48.742 23.382 1.00 0.00 H new ATOM 0 HE1 MET A 339 37.243 49.498 27.856 1.00 0.00 H new ATOM 0 HE2 MET A 339 35.612 49.807 27.212 1.00 0.00 H new ATOM 0 HE3 MET A 339 36.298 48.166 27.149 1.00 0.00 H new ATOM 445 N LEU A 340 31.719 50.552 23.067 1.00 0.00 N ATOM 446 CA LEU A 340 30.461 51.301 23.191 1.00 0.00 C ATOM 447 C LEU A 340 29.228 50.408 22.917 1.00 0.00 C ATOM 448 O LEU A 340 28.220 50.515 23.627 1.00 0.00 O ATOM 449 CB LEU A 340 30.490 52.506 22.232 1.00 0.00 C ATOM 450 CG LEU A 340 31.604 53.532 22.521 1.00 0.00 C ATOM 451 CD1 LEU A 340 31.607 54.608 21.442 1.00 0.00 C ATOM 452 CD2 LEU A 340 31.451 54.221 23.884 1.00 0.00 C ATOM 0 H LEU A 340 32.200 50.697 22.179 1.00 0.00 H new ATOM 0 HA LEU A 340 30.371 51.655 24.218 1.00 0.00 H new ATOM 0 HB2 LEU A 340 30.608 52.139 21.212 1.00 0.00 H new ATOM 0 HB3 LEU A 340 29.526 53.013 22.278 1.00 0.00 H new ATOM 0 HG LEU A 340 32.540 52.973 22.530 1.00 0.00 H new ATOM 0 HD11 LEU A 340 32.396 55.331 21.651 1.00 0.00 H new ATOM 0 HD12 LEU A 340 31.784 54.148 20.470 1.00 0.00 H new ATOM 0 HD13 LEU A 340 30.643 55.116 21.432 1.00 0.00 H new ATOM 0 HD21 LEU A 340 32.266 54.931 24.026 1.00 0.00 H new ATOM 0 HD22 LEU A 340 30.499 54.750 23.919 1.00 0.00 H new ATOM 0 HD23 LEU A 340 31.480 53.472 24.675 1.00 0.00 H new ATOM 464 N ALA A 341 29.316 49.506 21.933 1.00 0.00 N ATOM 465 CA ALA A 341 28.251 48.567 21.596 1.00 0.00 C ATOM 466 C ALA A 341 28.114 47.416 22.606 1.00 0.00 C ATOM 467 O ALA A 341 27.033 46.852 22.744 1.00 0.00 O ATOM 468 CB ALA A 341 28.494 48.054 20.176 1.00 0.00 C ATOM 0 H ALA A 341 30.142 49.410 21.343 1.00 0.00 H new ATOM 0 HA ALA A 341 27.297 49.093 21.645 1.00 0.00 H new ATOM 0 HB1 ALA A 341 27.708 47.350 19.904 1.00 0.00 H new ATOM 0 HB2 ALA A 341 28.486 48.893 19.480 1.00 0.00 H new ATOM 0 HB3 ALA A 341 29.461 47.554 20.130 1.00 0.00 H new ATOM 474 N SER A 342 29.155 47.092 23.365 1.00 0.00 N ATOM 475 CA SER A 342 29.140 46.052 24.392 1.00 0.00 C ATOM 476 C SER A 342 28.665 46.592 25.750 1.00 0.00 C ATOM 477 O SER A 342 27.785 46.000 26.363 1.00 0.00 O ATOM 478 CB SER A 342 30.497 45.354 24.441 1.00 0.00 C ATOM 479 OG SER A 342 30.765 44.859 23.139 1.00 0.00 O ATOM 0 H SER A 342 30.059 47.558 23.282 1.00 0.00 H new ATOM 0 HA SER A 342 28.403 45.295 24.125 1.00 0.00 H new ATOM 0 HB2 SER A 342 31.275 46.049 24.755 1.00 0.00 H new ATOM 0 HB3 SER A 342 30.484 44.540 25.166 1.00 0.00 H new ATOM 0 HG SER A 342 31.709 44.603 23.074 1.00 0.00 H new ATOM 485 N GLN A 343 29.136 47.791 26.166 1.00 0.00 N ATOM 486 CA GLN A 343 28.808 48.416 27.462 1.00 0.00 C ATOM 487 C GLN A 343 27.313 48.570 27.789 1.00 0.00 C ATOM 488 O GLN A 343 26.942 48.454 28.947 1.00 0.00 O ATOM 489 CB GLN A 343 29.455 49.819 27.505 1.00 0.00 C ATOM 490 CG GLN A 343 30.891 49.809 28.073 1.00 0.00 C ATOM 491 CD GLN A 343 30.909 49.836 29.596 1.00 0.00 C ATOM 492 OE1 GLN A 343 31.068 48.829 30.261 1.00 0.00 O ATOM 493 NE2 GLN A 343 30.737 50.984 30.215 1.00 0.00 N ATOM 0 H GLN A 343 29.765 48.358 25.598 1.00 0.00 H new ATOM 0 HA GLN A 343 29.198 47.728 28.213 1.00 0.00 H new ATOM 0 HB2 GLN A 343 29.472 50.235 26.498 1.00 0.00 H new ATOM 0 HB3 GLN A 343 28.836 50.479 28.112 1.00 0.00 H new ATOM 0 HG2 GLN A 343 31.413 48.919 27.721 1.00 0.00 H new ATOM 0 HG3 GLN A 343 31.437 50.671 27.690 1.00 0.00 H new ATOM 0 HE21 GLN A 343 30.602 51.839 29.676 1.00 0.00 H new ATOM 0 HE22 GLN A 343 30.739 51.019 31.234 1.00 0.00 H new ATOM 502 N GLN A 344 26.471 48.876 26.791 1.00 0.00 N ATOM 503 CA GLN A 344 25.011 49.081 26.993 1.00 0.00 C ATOM 504 C GLN A 344 24.125 48.477 25.881 1.00 0.00 C ATOM 505 O GLN A 344 22.908 48.581 25.958 1.00 0.00 O ATOM 506 CB GLN A 344 24.714 50.580 27.192 1.00 0.00 C ATOM 507 CG GLN A 344 25.091 51.128 28.591 1.00 0.00 C ATOM 508 CD GLN A 344 24.225 50.583 29.732 1.00 0.00 C ATOM 509 OE1 GLN A 344 23.180 49.966 29.561 1.00 0.00 O ATOM 510 NE2 GLN A 344 24.583 50.829 30.973 1.00 0.00 N ATOM 0 H GLN A 344 26.771 48.990 25.823 1.00 0.00 H new ATOM 0 HA GLN A 344 24.744 48.530 27.895 1.00 0.00 H new ATOM 0 HB2 GLN A 344 25.254 51.148 26.435 1.00 0.00 H new ATOM 0 HB3 GLN A 344 23.651 50.753 27.022 1.00 0.00 H new ATOM 0 HG2 GLN A 344 26.134 50.887 28.794 1.00 0.00 H new ATOM 0 HG3 GLN A 344 25.012 52.215 28.577 1.00 0.00 H new ATOM 0 HE21 GLN A 344 25.445 51.340 31.163 1.00 0.00 H new ATOM 0 HE22 GLN A 344 23.998 50.509 31.745 1.00 0.00 H new ATOM 519 N ASN A 345 24.714 47.830 24.866 1.00 0.00 N ATOM 520 CA ASN A 345 23.971 47.071 23.849 1.00 0.00 C ATOM 521 C ASN A 345 24.384 45.580 23.785 1.00 0.00 C ATOM 522 O ASN A 345 23.735 44.822 23.075 1.00 0.00 O ATOM 523 CB ASN A 345 24.088 47.785 22.479 1.00 0.00 C ATOM 524 CG ASN A 345 23.080 48.902 22.295 1.00 0.00 C ATOM 525 OD1 ASN A 345 21.907 48.674 22.083 1.00 0.00 O ATOM 526 ND2 ASN A 345 23.503 50.143 22.299 1.00 0.00 N ATOM 0 H ASN A 345 25.724 47.818 24.726 1.00 0.00 H new ATOM 0 HA ASN A 345 22.920 47.054 24.139 1.00 0.00 H new ATOM 0 HB2 ASN A 345 25.094 48.192 22.374 1.00 0.00 H new ATOM 0 HB3 ASN A 345 23.956 47.052 21.683 1.00 0.00 H new ATOM 0 HD21 ASN A 345 22.848 50.906 22.125 1.00 0.00 H new ATOM 0 HD22 ASN A 345 24.487 50.346 22.476 1.00 0.00 H new ATOM 533 N GLN A 346 25.404 45.145 24.543 1.00 0.00 N ATOM 534 CA GLN A 346 25.923 43.761 24.587 1.00 0.00 C ATOM 535 C GLN A 346 26.196 43.131 23.204 1.00 0.00 C ATOM 536 O GLN A 346 26.066 41.916 23.025 1.00 0.00 O ATOM 537 CB GLN A 346 25.044 42.900 25.510 1.00 0.00 C ATOM 538 CG GLN A 346 25.053 43.404 26.969 1.00 0.00 C ATOM 539 CD GLN A 346 24.244 42.502 27.882 1.00 0.00 C ATOM 540 OE1 GLN A 346 24.748 41.667 28.600 1.00 0.00 O ATOM 541 NE2 GLN A 346 22.935 42.633 27.911 1.00 0.00 N ATOM 0 H GLN A 346 25.912 45.770 25.168 1.00 0.00 H new ATOM 0 HA GLN A 346 26.921 43.804 25.023 1.00 0.00 H new ATOM 0 HB2 GLN A 346 24.020 42.899 25.135 1.00 0.00 H new ATOM 0 HB3 GLN A 346 25.395 41.868 25.483 1.00 0.00 H new ATOM 0 HG2 GLN A 346 26.081 43.458 27.329 1.00 0.00 H new ATOM 0 HG3 GLN A 346 24.649 44.416 27.007 1.00 0.00 H new ATOM 0 HE21 GLN A 346 22.479 43.327 27.319 1.00 0.00 H new ATOM 0 HE22 GLN A 346 22.377 42.041 28.526 1.00 0.00 H new ATOM 550 N SER A 347 26.571 43.950 22.216 1.00 0.00 N ATOM 551 CA SER A 347 26.675 43.549 20.795 1.00 0.00 C ATOM 552 C SER A 347 28.043 42.960 20.404 1.00 0.00 C ATOM 553 O SER A 347 28.433 43.006 19.239 1.00 0.00 O ATOM 554 CB SER A 347 26.277 44.732 19.907 1.00 0.00 C ATOM 555 OG SER A 347 25.620 44.292 18.733 1.00 0.00 O ATOM 0 H SER A 347 26.816 44.927 22.376 1.00 0.00 H new ATOM 0 HA SER A 347 25.979 42.725 20.637 1.00 0.00 H new ATOM 0 HB2 SER A 347 25.623 45.404 20.463 1.00 0.00 H new ATOM 0 HB3 SER A 347 27.165 45.303 19.637 1.00 0.00 H new ATOM 0 HG SER A 347 25.376 45.067 18.185 1.00 0.00 H new ATOM 561 N GLY A 348 28.811 42.452 21.369 1.00 0.00 N ATOM 562 CA GLY A 348 30.179 41.957 21.172 1.00 0.00 C ATOM 563 C GLY A 348 30.965 41.783 22.473 1.00 0.00 C ATOM 564 O GLY A 348 30.373 41.803 23.552 1.00 0.00 O ATOM 0 H GLY A 348 28.493 42.370 22.335 1.00 0.00 H new ATOM 0 HA2 GLY A 348 30.138 41.000 20.652 1.00 0.00 H new ATOM 0 HA3 GLY A 348 30.716 42.649 20.523 1.00 0.00 H new ATOM 568 N PRO A 349 32.291 41.597 22.377 1.00 0.00 N ATOM 569 CA PRO A 349 33.242 41.739 23.478 1.00 0.00 C ATOM 570 C PRO A 349 33.590 43.212 23.791 1.00 0.00 C ATOM 571 O PRO A 349 34.239 43.432 24.830 1.00 0.00 O ATOM 572 CB PRO A 349 34.475 40.956 23.017 1.00 0.00 C ATOM 573 CG PRO A 349 34.502 41.241 21.520 1.00 0.00 C ATOM 574 CD PRO A 349 33.014 41.284 21.142 1.00 0.00 C ATOM 575 OXT PRO A 349 33.223 44.100 22.982 1.00 0.00 O ATOM 0 HA PRO A 349 32.826 41.361 24.412 1.00 0.00 H new ATOM 0 HB2 PRO A 349 35.383 41.299 23.512 1.00 0.00 H new ATOM 0 HB3 PRO A 349 34.381 39.890 23.226 1.00 0.00 H new ATOM 0 HG2 PRO A 349 35.001 42.185 21.299 1.00 0.00 H new ATOM 0 HG3 PRO A 349 35.034 40.463 20.972 1.00 0.00 H new ATOM 0 HD2 PRO A 349 32.827 42.039 20.379 1.00 0.00 H new ATOM 0 HD3 PRO A 349 32.688 40.328 20.731 1.00 0.00 H new TER 583 PRO A 349