USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 275 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 3 HIS : no HD1:sc= 0.839 K(o=2.2,f=-4!) USER MOD Set 1.2: A 29 GLN : amide:sc= 1.31 K(o=2.2,f=0.86) USER MOD Single : A 1 SER N :NH3+ -170:sc= 0 (180deg=-0.0992) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 6 THR OG1 : rot -42:sc= 0.58 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 10 ASN : amide:sc= -0.0283 K(o=-0.028,f=-1.1) USER MOD Single : A 14 HIS : no HD1:sc= 0.662 K(o=0.66,f=-3.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0107 K(o=-0.011,f=-0.84) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 154:sc= 0.285 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 167:sc= 0.824 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.319 0.012 -3.249 1.00 49.53 N ATOM 2 CA SER A 1 -4.440 1.091 -4.221 1.00 50.07 C ATOM 3 C SER A 1 -3.930 2.408 -3.649 1.00 50.51 C ATOM 4 O SER A 1 -3.271 3.184 -4.342 1.00 49.49 O ATOM 5 CB SER A 1 -5.881 1.234 -4.669 1.00 50.05 C ATOM 6 OG SER A 1 -6.372 0.054 -5.244 1.00 49.34 O ATOM 0 H1 SER A 1 -4.512 -0.898 -3.714 1.00 49.53 H new ATOM 0 H2 SER A 1 -3.355 0.004 -2.858 1.00 49.53 H new ATOM 0 H3 SER A 1 -5.003 0.159 -2.480 1.00 49.53 H new ATOM 0 HA SER A 1 -3.824 0.839 -5.084 1.00 50.07 H new ATOM 0 HB2 SER A 1 -6.501 1.506 -3.815 1.00 50.05 H new ATOM 0 HB3 SER A 1 -5.957 2.048 -5.390 1.00 50.05 H new ATOM 0 HG SER A 1 -7.304 0.187 -5.518 1.00 49.34 H new ATOM 12 N GLN A 2 -4.239 2.655 -2.380 1.00 49.53 N ATOM 13 CA GLN A 2 -3.825 3.885 -1.717 1.00 50.07 C ATOM 14 C GLN A 2 -2.330 4.126 -1.884 1.00 50.51 C ATOM 15 O GLN A 2 -1.904 5.224 -2.238 1.00 49.49 O ATOM 16 CB GLN A 2 -4.177 3.836 -0.227 1.00 49.82 C ATOM 17 CG GLN A 2 -3.801 5.089 0.544 1.00 49.82 C ATOM 18 CD GLN A 2 -4.194 5.009 2.006 1.00 50.55 C ATOM 19 OE1 GLN A 2 -4.718 3.991 2.468 1.00 49.45 O ATOM 20 NE2 GLN A 2 -3.950 6.086 2.744 1.00 49.38 N ATOM 0 H GLN A 2 -4.775 2.019 -1.790 1.00 49.53 H new ATOM 0 HA GLN A 2 -4.362 4.710 -2.186 1.00 50.07 H new ATOM 0 HB2 GLN A 2 -5.249 3.668 -0.124 1.00 49.82 H new ATOM 0 HB3 GLN A 2 -3.675 2.981 0.225 1.00 49.82 H new ATOM 0 HG2 GLN A 2 -2.726 5.250 0.468 1.00 49.82 H new ATOM 0 HG3 GLN A 2 -4.285 5.952 0.087 1.00 49.82 H new ATOM 0 HE21 GLN A 2 -3.515 6.906 2.321 1.00 49.38 H new ATOM 0 HE22 GLN A 2 -4.198 6.093 3.733 1.00 49.38 H new ATOM 29 N HIS A 3 -1.537 3.091 -1.626 1.00 49.53 N ATOM 30 CA HIS A 3 -0.093 3.168 -1.810 1.00 50.07 C ATOM 31 C HIS A 3 0.377 2.207 -2.895 1.00 50.51 C ATOM 32 O HIS A 3 1.553 2.195 -3.259 1.00 49.49 O ATOM 33 CB HIS A 3 0.637 2.871 -0.496 1.00 49.92 C ATOM 34 CG HIS A 3 0.281 3.808 0.616 1.00 50.22 C ATOM 35 ND1 HIS A 3 0.611 5.147 0.594 1.00 49.30 N ATOM 36 CD2 HIS A 3 -0.376 3.601 1.781 1.00 49.95 C ATOM 37 CE1 HIS A 3 0.172 5.724 1.700 1.00 50.25 C ATOM 38 NE2 HIS A 3 -0.430 4.807 2.436 1.00 49.64 N ATOM 0 H HIS A 3 -1.871 2.188 -1.289 1.00 49.53 H new ATOM 0 HA HIS A 3 0.145 4.184 -2.125 1.00 50.07 H new ATOM 0 HB2 HIS A 3 0.409 1.851 -0.187 1.00 49.92 H new ATOM 0 HB3 HIS A 3 1.712 2.919 -0.669 1.00 49.92 H new ATOM 0 HD2 HIS A 3 -0.782 2.663 2.130 1.00 49.95 H new ATOM 0 HE1 HIS A 3 0.286 6.767 1.957 1.00 50.25 H new ATOM 0 HE2 HIS A 3 -0.865 4.969 3.344 1.00 49.64 H new ATOM 46 N GLY A 4 -0.549 1.405 -3.408 1.00 49.53 N ATOM 47 CA GLY A 4 -0.244 0.479 -4.492 1.00 49.98 C ATOM 48 C GLY A 4 -0.127 1.210 -5.824 1.00 50.51 C ATOM 49 O GLY A 4 0.553 0.748 -6.740 1.00 49.49 O ATOM 0 H GLY A 4 -1.518 1.377 -3.090 1.00 49.53 H new ATOM 0 HA2 GLY A 4 0.689 -0.042 -4.277 1.00 49.98 H new ATOM 0 HA3 GLY A 4 -1.025 -0.279 -4.557 1.00 49.98 H new ATOM 53 N ARG A 5 -0.796 2.355 -5.925 1.00 49.53 N ATOM 54 CA ARG A 5 -0.737 3.171 -7.131 1.00 50.07 C ATOM 55 C ARG A 5 0.585 3.923 -7.224 1.00 50.51 C ATOM 56 O ARG A 5 1.026 4.288 -8.314 1.00 49.49 O ATOM 57 CB ARG A 5 -1.924 4.118 -7.242 1.00 49.82 C ATOM 58 CG ARG A 5 -3.248 3.447 -7.571 1.00 49.82 C ATOM 59 CD ARG A 5 -4.402 4.378 -7.654 1.00 50.20 C ATOM 60 NE ARG A 5 -5.663 3.745 -8.006 1.00 49.30 N ATOM 61 CZ ARG A 5 -6.858 4.367 -8.005 1.00 50.64 C ATOM 62 NH1 ARG A 5 -6.966 5.625 -7.638 1.00 49.20 N1+ ATOM 63 NH2 ARG A 5 -7.924 3.672 -8.360 1.00 49.20 N ATOM 0 H ARG A 5 -1.385 2.738 -5.185 1.00 49.53 H new ATOM 0 HA ARG A 5 -0.795 2.491 -7.981 1.00 50.07 H new ATOM 0 HB2 ARG A 5 -2.030 4.657 -6.300 1.00 49.82 H new ATOM 0 HB3 ARG A 5 -1.708 4.860 -8.011 1.00 49.82 H new ATOM 0 HG2 ARG A 5 -3.150 2.923 -8.522 1.00 49.82 H new ATOM 0 HG3 ARG A 5 -3.458 2.693 -6.812 1.00 49.82 H new ATOM 0 HD2 ARG A 5 -4.518 4.880 -6.693 1.00 50.20 H new ATOM 0 HD3 ARG A 5 -4.179 5.149 -8.392 1.00 50.20 H new ATOM 0 HE ARG A 5 -5.641 2.761 -8.272 1.00 49.30 H new ATOM 0 HH11 ARG A 5 -6.137 6.145 -7.348 1.00 49.20 H new ATOM 0 HH12 ARG A 5 -7.878 6.081 -7.643 1.00 49.20 H new ATOM 0 HH21 ARG A 5 -7.829 2.692 -8.625 1.00 49.20 H new ATOM 0 HH22 ARG A 5 -8.842 4.116 -8.369 1.00 49.20 H new ATOM 77 N THR A 6 1.214 4.150 -6.077 1.00 49.53 N ATOM 78 CA THR A 6 2.478 4.874 -6.025 1.00 50.07 C ATOM 79 C THR A 6 3.657 3.941 -6.273 1.00 50.51 C ATOM 80 O THR A 6 3.503 2.720 -6.282 1.00 49.49 O ATOM 81 CB THR A 6 2.671 5.578 -4.670 1.00 50.14 C ATOM 82 OG1 THR A 6 2.846 4.598 -3.639 1.00 49.34 O ATOM 83 CG2 THR A 6 1.464 6.444 -4.342 1.00 49.73 C ATOM 0 H THR A 6 0.868 3.842 -5.168 1.00 49.53 H new ATOM 0 HA THR A 6 2.441 5.627 -6.813 1.00 50.07 H new ATOM 0 HB THR A 6 3.555 6.213 -4.731 1.00 50.14 H new ATOM 0 HG1 THR A 6 2.217 3.860 -3.779 1.00 49.34 H new ATOM 0 HG21 THR A 6 1.618 6.934 -3.381 1.00 49.73 H new ATOM 0 HG22 THR A 6 1.336 7.199 -5.118 1.00 49.73 H new ATOM 0 HG23 THR A 6 0.571 5.820 -4.292 1.00 49.73 H new ATOM 91 N GLN A 7 4.833 4.524 -6.476 1.00 49.53 N ATOM 92 CA GLN A 7 6.032 3.749 -6.771 1.00 50.07 C ATOM 93 C GLN A 7 6.443 2.893 -5.580 1.00 50.51 C ATOM 94 O GLN A 7 6.447 3.360 -4.440 1.00 49.49 O ATOM 95 CB GLN A 7 7.186 4.675 -7.165 1.00 49.82 C ATOM 96 CG GLN A 7 8.467 3.949 -7.538 1.00 49.82 C ATOM 97 CD GLN A 7 9.539 4.893 -8.048 1.00 50.55 C ATOM 98 OE1 GLN A 7 9.328 6.106 -8.137 1.00 49.45 O ATOM 99 NE2 GLN A 7 10.698 4.341 -8.390 1.00 49.38 N ATOM 0 H GLN A 7 4.982 5.533 -6.442 1.00 49.53 H new ATOM 0 HA GLN A 7 5.801 3.089 -7.607 1.00 50.07 H new ATOM 0 HB2 GLN A 7 6.872 5.290 -8.008 1.00 49.82 H new ATOM 0 HB3 GLN A 7 7.393 5.352 -6.336 1.00 49.82 H new ATOM 0 HG2 GLN A 7 8.844 3.412 -6.667 1.00 49.82 H new ATOM 0 HG3 GLN A 7 8.249 3.203 -8.303 1.00 49.82 H new ATOM 0 HE21 GLN A 7 10.829 3.333 -8.300 1.00 49.38 H new ATOM 0 HE22 GLN A 7 11.457 4.925 -8.742 1.00 49.38 H new ATOM 108 N ASP A 8 6.786 1.639 -5.850 1.00 49.53 N ATOM 109 CA ASP A 8 7.260 0.734 -4.809 1.00 50.07 C ATOM 110 C ASP A 8 8.507 1.284 -4.127 1.00 50.51 C ATOM 111 O ASP A 8 9.538 1.487 -4.767 1.00 49.49 O ATOM 112 CB ASP A 8 7.549 -0.651 -5.393 1.00 49.72 C ATOM 113 CG ASP A 8 6.306 -1.447 -5.768 1.00 50.62 C ATOM 114 OD1 ASP A 8 5.232 -1.047 -5.387 1.00 49.24 O ATOM 115 OD2 ASP A 8 6.422 -2.353 -6.559 1.00 49.24 O1- ATOM 0 H ASP A 8 6.745 1.225 -6.781 1.00 49.53 H new ATOM 0 HA ASP A 8 6.472 0.646 -4.061 1.00 50.07 H new ATOM 0 HB2 ASP A 8 8.173 -0.535 -6.279 1.00 49.72 H new ATOM 0 HB3 ASP A 8 8.128 -1.224 -4.669 1.00 49.72 H new ATOM 120 N GLU A 9 8.405 1.523 -2.824 1.00 49.53 N ATOM 121 CA GLU A 9 9.540 1.999 -2.041 1.00 50.07 C ATOM 122 C GLU A 9 10.323 0.837 -1.444 1.00 50.51 C ATOM 123 O GLU A 9 9.761 -0.220 -1.156 1.00 49.49 O ATOM 124 CB GLU A 9 9.067 2.941 -0.931 1.00 49.82 C ATOM 125 CG GLU A 9 8.356 4.191 -1.428 1.00 49.72 C ATOM 126 CD GLU A 9 8.018 5.114 -0.291 1.00 50.62 C ATOM 127 OE1 GLU A 9 7.602 4.634 0.737 1.00 49.24 O ATOM 128 OE2 GLU A 9 8.280 6.288 -0.406 1.00 49.24 O1- ATOM 0 H GLU A 9 7.547 1.395 -2.287 1.00 49.53 H new ATOM 0 HA GLU A 9 10.202 2.547 -2.712 1.00 50.07 H new ATOM 0 HB2 GLU A 9 8.395 2.394 -0.269 1.00 49.82 H new ATOM 0 HB3 GLU A 9 9.928 3.241 -0.334 1.00 49.82 H new ATOM 0 HG2 GLU A 9 8.990 4.712 -2.146 1.00 49.72 H new ATOM 0 HG3 GLU A 9 7.444 3.909 -1.954 1.00 49.72 H new ATOM 135 N ASN A 10 11.623 1.039 -1.260 1.00 49.53 N ATOM 136 CA ASN A 10 12.455 0.077 -0.548 1.00 50.07 C ATOM 137 C ASN A 10 12.302 0.227 0.960 1.00 50.51 C ATOM 138 O ASN A 10 12.420 1.328 1.500 1.00 49.49 O ATOM 139 CB ASN A 10 13.915 0.205 -0.942 1.00 49.82 C ATOM 140 CG ASN A 10 14.204 -0.246 -2.347 1.00 50.55 C ATOM 141 OD1 ASN A 10 13.491 -1.085 -2.910 1.00 49.45 O ATOM 142 ND2 ASN A 10 15.292 0.243 -2.885 1.00 49.38 N ATOM 0 H ASN A 10 12.124 1.862 -1.595 1.00 49.53 H new ATOM 0 HA ASN A 10 12.112 -0.917 -0.833 1.00 50.07 H new ATOM 0 HB2 ASN A 10 14.221 1.245 -0.834 1.00 49.82 H new ATOM 0 HB3 ASN A 10 14.521 -0.380 -0.250 1.00 49.82 H new ATOM 0 HD21 ASN A 10 15.587 -0.067 -3.811 1.00 49.38 H new ATOM 0 HD22 ASN A 10 15.845 0.934 -2.378 1.00 49.38 H new ATOM 149 N PRO A 11 12.038 -0.885 1.637 1.00 49.71 N ATOM 150 CA PRO A 11 11.886 -0.882 3.088 1.00 50.02 C ATOM 151 C PRO A 11 13.208 -0.575 3.779 1.00 50.51 C ATOM 152 O PRO A 11 13.231 -0.114 4.920 1.00 49.49 O ATOM 153 CB PRO A 11 11.376 -2.295 3.415 1.00 49.82 C ATOM 154 CG PRO A 11 11.860 -3.155 2.279 1.00 49.82 C ATOM 155 CD PRO A 11 11.745 -2.200 1.051 1.00 50.00 C ATOM 0 HA PRO A 11 11.200 -0.111 3.439 1.00 50.02 H new ATOM 0 HB2 PRO A 11 11.768 -2.645 4.370 1.00 49.82 H new ATOM 0 HB3 PRO A 11 10.289 -2.315 3.490 1.00 49.82 H new ATOM 0 HG2 PRO A 11 12.885 -3.492 2.435 1.00 49.82 H new ATOM 0 HG3 PRO A 11 11.246 -4.047 2.157 1.00 49.82 H new ATOM 0 HD2 PRO A 11 12.455 -2.461 0.267 1.00 50.00 H new ATOM 0 HD3 PRO A 11 10.751 -2.232 0.605 1.00 50.00 H new ATOM 163 N VAL A 12 14.309 -0.832 3.081 1.00 49.53 N ATOM 164 CA VAL A 12 15.637 -0.561 3.617 1.00 50.07 C ATOM 165 C VAL A 12 15.856 0.933 3.819 1.00 50.51 C ATOM 166 O VAL A 12 16.567 1.348 4.733 1.00 49.49 O ATOM 167 CB VAL A 12 16.742 -1.111 2.696 1.00 49.91 C ATOM 168 CG1 VAL A 12 18.112 -0.661 3.180 1.00 49.73 C ATOM 169 CG2 VAL A 12 16.675 -2.629 2.629 1.00 49.73 C ATOM 0 H VAL A 12 14.307 -1.228 2.141 1.00 49.53 H new ATOM 0 HA VAL A 12 15.695 -1.067 4.581 1.00 50.07 H new ATOM 0 HB VAL A 12 16.582 -0.714 1.693 1.00 49.91 H new ATOM 0 HG11 VAL A 12 18.881 -1.059 2.517 1.00 49.73 H new ATOM 0 HG12 VAL A 12 18.159 0.428 3.178 1.00 49.73 H new ATOM 0 HG13 VAL A 12 18.279 -1.029 4.192 1.00 49.73 H new ATOM 0 HG21 VAL A 12 17.463 -2.999 1.974 1.00 49.73 H new ATOM 0 HG22 VAL A 12 16.809 -3.044 3.628 1.00 49.73 H new ATOM 0 HG23 VAL A 12 15.705 -2.933 2.237 1.00 49.73 H new ATOM 179 N VAL A 13 15.239 1.737 2.961 1.00 49.53 N ATOM 180 CA VAL A 13 15.290 3.188 3.097 1.00 50.07 C ATOM 181 C VAL A 13 14.588 3.646 4.370 1.00 50.51 C ATOM 182 O VAL A 13 15.062 4.549 5.061 1.00 49.49 O ATOM 183 CB VAL A 13 14.649 3.893 1.887 1.00 49.91 C ATOM 184 CG1 VAL A 13 14.532 5.389 2.143 1.00 49.73 C ATOM 185 CG2 VAL A 13 15.461 3.631 0.628 1.00 49.73 C ATOM 0 H VAL A 13 14.697 1.408 2.162 1.00 49.53 H new ATOM 0 HA VAL A 13 16.344 3.462 3.148 1.00 50.07 H new ATOM 0 HB VAL A 13 13.647 3.488 1.742 1.00 49.91 H new ATOM 0 HG11 VAL A 13 14.077 5.872 1.278 1.00 49.73 H new ATOM 0 HG12 VAL A 13 13.911 5.560 3.022 1.00 49.73 H new ATOM 0 HG13 VAL A 13 15.524 5.808 2.312 1.00 49.73 H new ATOM 0 HG21 VAL A 13 14.994 4.136 -0.218 1.00 49.73 H new ATOM 0 HG22 VAL A 13 16.474 4.010 0.763 1.00 49.73 H new ATOM 0 HG23 VAL A 13 15.497 2.559 0.435 1.00 49.73 H new ATOM 195 N HIS A 14 13.457 3.020 4.675 1.00 49.53 N ATOM 196 CA HIS A 14 12.708 3.335 5.885 1.00 50.07 C ATOM 197 C HIS A 14 13.372 2.733 7.116 1.00 50.51 C ATOM 198 O HIS A 14 13.179 3.211 8.234 1.00 49.49 O ATOM 199 CB HIS A 14 11.263 2.838 5.772 1.00 49.92 C ATOM 200 CG HIS A 14 10.431 3.620 4.804 1.00 50.22 C ATOM 201 ND1 HIS A 14 10.011 4.909 5.056 1.00 49.30 N ATOM 202 CD2 HIS A 14 9.941 3.295 3.585 1.00 49.95 C ATOM 203 CE1 HIS A 14 9.298 5.344 4.032 1.00 50.25 C ATOM 204 NE2 HIS A 14 9.241 4.384 3.126 1.00 49.64 N ATOM 0 H HIS A 14 13.038 2.290 4.099 1.00 49.53 H new ATOM 0 HA HIS A 14 12.700 4.419 5.996 1.00 50.07 H new ATOM 0 HB2 HIS A 14 11.271 1.791 5.468 1.00 49.92 H new ATOM 0 HB3 HIS A 14 10.796 2.880 6.756 1.00 49.92 H new ATOM 0 HD2 HIS A 14 10.075 2.355 3.070 1.00 49.95 H new ATOM 0 HE1 HIS A 14 8.840 6.319 3.950 1.00 50.25 H new ATOM 0 HE2 HIS A 14 8.756 4.442 2.231 1.00 49.64 H new ATOM 212 N PHE A 15 14.154 1.680 6.904 1.00 49.53 N ATOM 213 CA PHE A 15 14.986 1.118 7.963 1.00 50.07 C ATOM 214 C PHE A 15 16.136 2.052 8.315 1.00 50.51 C ATOM 215 O PHE A 15 16.467 2.229 9.487 1.00 49.49 O ATOM 216 CB PHE A 15 15.528 -0.251 7.546 1.00 49.82 C ATOM 217 CG PHE A 15 14.467 -1.301 7.385 1.00 50.00 C ATOM 218 CD1 PHE A 15 13.193 -1.103 7.898 1.00 49.88 C ATOM 219 CD2 PHE A 15 14.739 -2.488 6.724 1.00 49.88 C ATOM 220 CE1 PHE A 15 12.215 -2.069 7.751 1.00 49.88 C ATOM 221 CE2 PHE A 15 13.764 -3.455 6.575 1.00 49.88 C ATOM 222 CZ PHE A 15 12.500 -3.245 7.090 1.00 49.88 C ATOM 0 H PHE A 15 14.229 1.198 6.008 1.00 49.53 H new ATOM 0 HA PHE A 15 14.363 0.998 8.849 1.00 50.07 H new ATOM 0 HB2 PHE A 15 16.068 -0.146 6.605 1.00 49.82 H new ATOM 0 HB3 PHE A 15 16.249 -0.588 8.291 1.00 49.82 H new ATOM 0 HD1 PHE A 15 12.963 -0.185 8.418 1.00 49.88 H new ATOM 0 HD2 PHE A 15 15.726 -2.659 6.320 1.00 49.88 H new ATOM 0 HE1 PHE A 15 11.227 -1.902 8.154 1.00 49.88 H new ATOM 0 HE2 PHE A 15 13.990 -4.375 6.056 1.00 49.88 H new ATOM 0 HZ PHE A 15 11.736 -4.000 6.975 1.00 49.88 H new ATOM 232 N PHE A 16 16.741 2.649 7.293 1.00 49.53 N ATOM 233 CA PHE A 16 17.713 3.717 7.497 1.00 50.07 C ATOM 234 C PHE A 16 17.110 4.868 8.290 1.00 50.51 C ATOM 235 O PHE A 16 17.730 5.389 9.216 1.00 49.49 O ATOM 236 CB PHE A 16 18.239 4.223 6.152 1.00 49.82 C ATOM 237 CG PHE A 16 19.190 5.381 6.271 1.00 50.00 C ATOM 238 CD1 PHE A 16 20.519 5.174 6.606 1.00 49.88 C ATOM 239 CD2 PHE A 16 18.755 6.679 6.048 1.00 49.88 C ATOM 240 CE1 PHE A 16 21.394 6.238 6.715 1.00 49.88 C ATOM 241 CE2 PHE A 16 19.628 7.744 6.155 1.00 49.88 C ATOM 242 CZ PHE A 16 20.949 7.523 6.490 1.00 49.88 C ATOM 0 H PHE A 16 16.575 2.411 6.315 1.00 49.53 H new ATOM 0 HA PHE A 16 18.543 3.307 8.072 1.00 50.07 H new ATOM 0 HB2 PHE A 16 18.741 3.404 5.637 1.00 49.82 H new ATOM 0 HB3 PHE A 16 17.394 4.521 5.530 1.00 49.82 H new ATOM 0 HD1 PHE A 16 20.875 4.170 6.784 1.00 49.88 H new ATOM 0 HD2 PHE A 16 17.722 6.859 5.788 1.00 49.88 H new ATOM 0 HE1 PHE A 16 22.427 6.063 6.977 1.00 49.88 H new ATOM 0 HE2 PHE A 16 19.277 8.750 5.977 1.00 49.88 H new ATOM 0 HZ PHE A 16 21.632 8.355 6.576 1.00 49.88 H new ATOM 252 N LYS A 17 15.895 5.261 7.922 1.00 49.53 N ATOM 253 CA LYS A 17 15.164 6.284 8.661 1.00 50.07 C ATOM 254 C LYS A 17 14.922 5.856 10.102 1.00 50.51 C ATOM 255 O LYS A 17 14.982 6.673 11.021 1.00 49.49 O ATOM 256 CB LYS A 17 13.833 6.593 7.972 1.00 49.82 C ATOM 257 CG LYS A 17 13.967 7.337 6.649 1.00 49.82 C ATOM 258 CD LYS A 17 12.606 7.595 6.021 1.00 49.82 C ATOM 259 CE LYS A 17 12.739 8.318 4.689 1.00 50.21 C ATOM 260 NZ LYS A 17 11.414 8.609 4.078 1.00 49.70 N1+ ATOM 0 H LYS A 17 15.395 4.886 7.116 1.00 49.53 H new ATOM 0 HA LYS A 17 15.774 7.187 8.673 1.00 50.07 H new ATOM 0 HB2 LYS A 17 13.303 5.657 7.796 1.00 49.82 H new ATOM 0 HB3 LYS A 17 13.217 7.186 8.648 1.00 49.82 H new ATOM 0 HG2 LYS A 17 14.480 8.285 6.812 1.00 49.82 H new ATOM 0 HG3 LYS A 17 14.582 6.755 5.963 1.00 49.82 H new ATOM 0 HD2 LYS A 17 12.086 6.648 5.873 1.00 49.82 H new ATOM 0 HD3 LYS A 17 11.997 8.190 6.701 1.00 49.82 H new ATOM 0 HE2 LYS A 17 13.283 9.251 4.836 1.00 50.21 H new ATOM 0 HE3 LYS A 17 13.329 7.709 4.003 1.00 50.21 H new ATOM 0 HZ1 LYS A 17 11.550 9.102 3.172 1.00 49.70 H new ATOM 0 HZ2 LYS A 17 10.904 7.718 3.914 1.00 49.70 H new ATOM 0 HZ3 LYS A 17 10.860 9.211 4.720 1.00 49.70 H new ATOM 274 N ASN A 18 14.647 4.570 10.293 1.00 49.53 N ATOM 275 CA ASN A 18 14.445 4.020 11.628 1.00 50.07 C ATOM 276 C ASN A 18 15.721 4.098 12.456 1.00 50.51 C ATOM 277 O ASN A 18 15.673 4.262 13.675 1.00 49.49 O ATOM 278 CB ASN A 18 13.944 2.588 11.569 1.00 49.82 C ATOM 279 CG ASN A 18 13.559 2.026 12.909 1.00 50.55 C ATOM 280 OD1 ASN A 18 12.631 2.513 13.566 1.00 49.45 O ATOM 281 ND2 ASN A 18 14.317 1.057 13.354 1.00 49.38 N ATOM 0 H ASN A 18 14.559 3.889 9.539 1.00 49.53 H new ATOM 0 HA ASN A 18 13.682 4.628 12.113 1.00 50.07 H new ATOM 0 HB2 ASN A 18 13.081 2.541 10.904 1.00 49.82 H new ATOM 0 HB3 ASN A 18 14.719 1.959 11.130 1.00 49.82 H new ATOM 0 HD21 ASN A 18 14.155 0.668 14.283 1.00 49.38 H new ATOM 0 HD22 ASN A 18 15.070 0.690 12.772 1.00 49.38 H new ATOM 288 N ILE A 19 16.863 3.980 11.786 1.00 49.53 N ATOM 289 CA ILE A 19 18.156 4.048 12.456 1.00 50.07 C ATOM 290 C ILE A 19 18.474 5.472 12.895 1.00 50.51 C ATOM 291 O ILE A 19 18.903 5.702 14.026 1.00 49.49 O ATOM 292 CB ILE A 19 19.290 3.534 11.551 1.00 49.91 C ATOM 293 CG1 ILE A 19 19.147 2.028 11.320 1.00 49.82 C ATOM 294 CG2 ILE A 19 20.644 3.856 12.162 1.00 49.73 C ATOM 295 CD1 ILE A 19 20.034 1.492 10.220 1.00 49.73 C ATOM 0 H ILE A 19 16.919 3.837 10.778 1.00 49.53 H new ATOM 0 HA ILE A 19 18.088 3.407 13.335 1.00 50.07 H new ATOM 0 HB ILE A 19 19.220 4.038 10.587 1.00 49.91 H new ATOM 0 HG12 ILE A 19 19.378 1.504 12.248 1.00 49.82 H new ATOM 0 HG13 ILE A 19 18.108 1.804 11.078 1.00 49.82 H new ATOM 0 HG21 ILE A 19 21.435 3.486 11.510 1.00 49.73 H new ATOM 0 HG22 ILE A 19 20.744 4.935 12.277 1.00 49.73 H new ATOM 0 HG23 ILE A 19 20.726 3.378 13.138 1.00 49.73 H new ATOM 0 HD11 ILE A 19 19.876 0.419 10.116 1.00 49.73 H new ATOM 0 HD12 ILE A 19 19.789 1.988 9.281 1.00 49.73 H new ATOM 0 HD13 ILE A 19 21.078 1.683 10.469 1.00 49.73 H new ATOM 307 N VAL A 20 18.261 6.425 11.994 1.00 49.53 N ATOM 308 CA VAL A 20 18.720 7.793 12.202 1.00 50.07 C ATOM 309 C VAL A 20 17.656 8.628 12.904 1.00 50.51 C ATOM 310 O VAL A 20 17.949 9.695 13.445 1.00 49.49 O ATOM 311 CB VAL A 20 19.098 8.473 10.873 1.00 49.91 C ATOM 312 CG1 VAL A 20 20.170 7.670 10.151 1.00 49.73 C ATOM 313 CG2 VAL A 20 17.870 8.633 9.989 1.00 49.73 C ATOM 0 H VAL A 20 17.773 6.275 11.111 1.00 49.53 H new ATOM 0 HA VAL A 20 19.607 7.734 12.832 1.00 50.07 H new ATOM 0 HB VAL A 20 19.497 9.463 11.094 1.00 49.91 H new ATOM 0 HG11 VAL A 20 20.426 8.164 9.214 1.00 49.73 H new ATOM 0 HG12 VAL A 20 21.058 7.602 10.779 1.00 49.73 H new ATOM 0 HG13 VAL A 20 19.795 6.668 9.942 1.00 49.73 H new ATOM 0 HG21 VAL A 20 18.155 9.115 9.054 1.00 49.73 H new ATOM 0 HG22 VAL A 20 17.444 7.652 9.776 1.00 49.73 H new ATOM 0 HG23 VAL A 20 17.129 9.246 10.502 1.00 49.73 H new ATOM 323 N THR A 21 16.421 8.138 12.892 1.00 49.53 N ATOM 324 CA THR A 21 15.316 8.827 13.547 1.00 50.07 C ATOM 325 C THR A 21 14.654 7.938 14.591 1.00 50.51 C ATOM 326 O THR A 21 14.206 6.833 14.286 1.00 49.49 O ATOM 327 CB THR A 21 14.254 9.285 12.530 1.00 50.14 C ATOM 328 OG1 THR A 21 14.854 10.170 11.574 1.00 49.34 O ATOM 329 CG2 THR A 21 13.115 10.005 13.236 1.00 49.73 C ATOM 0 H THR A 21 16.160 7.264 12.435 1.00 49.53 H new ATOM 0 HA THR A 21 15.739 9.704 14.037 1.00 50.07 H new ATOM 0 HB THR A 21 13.856 8.406 12.023 1.00 50.14 H new ATOM 0 HG1 THR A 21 14.178 10.459 10.927 1.00 49.34 H new ATOM 0 HG21 THR A 21 12.374 10.321 12.502 1.00 49.73 H new ATOM 0 HG22 THR A 21 12.649 9.331 13.955 1.00 49.73 H new ATOM 0 HG23 THR A 21 13.505 10.879 13.758 1.00 49.73 H new ATOM 337 N PRO A 22 14.595 8.426 15.825 1.00 49.71 N ATOM 338 CA PRO A 22 14.073 7.641 16.936 1.00 50.02 C ATOM 339 C PRO A 22 12.567 7.445 16.812 1.00 50.51 C ATOM 340 O PRO A 22 12.017 6.457 17.300 1.00 49.49 O ATOM 341 CB PRO A 22 14.449 8.457 18.184 1.00 49.82 C ATOM 342 CG PRO A 22 14.610 9.868 17.690 1.00 49.82 C ATOM 343 CD PRO A 22 15.188 9.693 16.272 1.00 50.00 C ATOM 0 HA PRO A 22 14.486 6.633 16.971 1.00 50.02 H new ATOM 0 HB2 PRO A 22 13.673 8.392 18.947 1.00 49.82 H new ATOM 0 HB3 PRO A 22 15.371 8.088 18.634 1.00 49.82 H new ATOM 0 HG2 PRO A 22 13.657 10.397 17.672 1.00 49.82 H new ATOM 0 HG3 PRO A 22 15.282 10.442 18.328 1.00 49.82 H new ATOM 0 HD2 PRO A 22 14.911 10.520 15.619 1.00 50.00 H new ATOM 0 HD3 PRO A 22 16.277 9.647 16.283 1.00 50.00 H new ATOM 351 N ARG A 23 11.904 8.392 16.156 1.00 49.53 N ATOM 352 CA ARG A 23 10.477 8.279 15.883 1.00 50.07 C ATOM 353 C ARG A 23 10.208 7.281 14.763 1.00 50.51 C ATOM 354 O ARG A 23 10.897 7.279 13.743 1.00 49.49 O ATOM 355 CB ARG A 23 9.839 9.629 15.591 1.00 49.82 C ATOM 356 CG ARG A 23 9.851 10.606 16.756 1.00 49.82 C ATOM 357 CD ARG A 23 9.297 11.947 16.436 1.00 50.20 C ATOM 358 NE ARG A 23 9.346 12.897 17.535 1.00 49.30 N ATOM 359 CZ ARG A 23 8.965 14.187 17.449 1.00 50.64 C ATOM 360 NH1 ARG A 23 8.541 14.694 16.312 1.00 49.20 N1+ ATOM 361 NH2 ARG A 23 9.049 14.936 18.534 1.00 49.20 N ATOM 0 H ARG A 23 12.334 9.247 15.803 1.00 49.53 H new ATOM 0 HA ARG A 23 10.007 7.899 16.790 1.00 50.07 H new ATOM 0 HB2 ARG A 23 10.357 10.085 14.747 1.00 49.82 H new ATOM 0 HB3 ARG A 23 8.806 9.468 15.281 1.00 49.82 H new ATOM 0 HG2 ARG A 23 9.281 10.177 17.580 1.00 49.82 H new ATOM 0 HG3 ARG A 23 10.877 10.724 17.106 1.00 49.82 H new ATOM 0 HD2 ARG A 23 9.846 12.361 15.590 1.00 50.20 H new ATOM 0 HD3 ARG A 23 8.261 11.832 16.118 1.00 50.20 H new ATOM 0 HE ARG A 23 9.693 12.564 18.434 1.00 49.30 H new ATOM 0 HH11 ARG A 23 8.497 14.109 15.478 1.00 49.20 H new ATOM 0 HH12 ARG A 23 8.256 15.672 16.264 1.00 49.20 H new ATOM 0 HH21 ARG A 23 9.395 14.534 19.405 1.00 49.20 H new ATOM 0 HH22 ARG A 23 8.768 15.916 18.500 1.00 49.20 H new ATOM 375 N THR A 24 9.202 6.436 14.960 1.00 49.53 N ATOM 376 CA THR A 24 8.884 5.388 13.998 1.00 50.07 C ATOM 377 C THR A 24 8.570 5.974 12.627 1.00 50.51 C ATOM 378 O THR A 24 7.637 6.764 12.478 1.00 49.49 O ATOM 379 CB THR A 24 7.690 4.535 14.465 1.00 50.14 C ATOM 380 OG1 THR A 24 7.985 3.956 15.743 1.00 49.34 O ATOM 381 CG2 THR A 24 7.401 3.427 13.465 1.00 49.73 C ATOM 0 H THR A 24 8.593 6.457 15.778 1.00 49.53 H new ATOM 0 HA THR A 24 9.767 4.753 13.925 1.00 50.07 H new ATOM 0 HB THR A 24 6.813 5.177 14.542 1.00 50.14 H new ATOM 0 HG1 THR A 24 7.224 3.415 16.040 1.00 49.34 H new ATOM 0 HG21 THR A 24 6.554 2.835 13.812 1.00 49.73 H new ATOM 0 HG22 THR A 24 7.164 3.865 12.495 1.00 49.73 H new ATOM 0 HG23 THR A 24 8.277 2.786 13.369 1.00 49.73 H new ATOM 389 N PRO A 25 9.354 5.583 11.628 1.00 49.71 N ATOM 390 CA PRO A 25 9.155 6.064 10.266 1.00 50.02 C ATOM 391 C PRO A 25 7.948 5.397 9.618 1.00 50.51 C ATOM 392 O PRO A 25 7.510 4.331 10.049 1.00 49.49 O ATOM 393 CB PRO A 25 10.467 5.709 9.548 1.00 49.82 C ATOM 394 CG PRO A 25 10.979 4.485 10.256 1.00 49.82 C ATOM 395 CD PRO A 25 10.639 4.892 11.792 1.00 50.00 C ATOM 0 HA PRO A 25 8.943 7.132 10.221 1.00 50.02 H new ATOM 0 HB2 PRO A 25 10.297 5.511 8.490 1.00 49.82 H new ATOM 0 HB3 PRO A 25 11.184 6.528 9.607 1.00 49.82 H new ATOM 0 HG2 PRO A 25 10.467 3.576 9.942 1.00 49.82 H new ATOM 0 HG3 PRO A 25 12.044 4.323 10.093 1.00 49.82 H new ATOM 0 HD2 PRO A 25 10.557 4.019 12.440 1.00 50.00 H new ATOM 0 HD3 PRO A 25 11.402 5.539 12.224 1.00 50.00 H new ATOM 403 N PRO A 26 7.416 6.031 8.578 1.00 49.71 N ATOM 404 CA PRO A 26 6.267 5.494 7.859 1.00 50.02 C ATOM 405 C PRO A 26 6.635 4.223 7.103 1.00 50.51 C ATOM 406 O PRO A 26 7.798 4.008 6.762 1.00 49.49 O ATOM 407 CB PRO A 26 5.852 6.631 6.911 1.00 49.82 C ATOM 408 CG PRO A 26 7.103 7.440 6.704 1.00 49.82 C ATOM 409 CD PRO A 26 7.795 7.367 8.099 1.00 50.00 C ATOM 0 HA PRO A 26 5.453 5.201 8.522 1.00 50.02 H new ATOM 0 HB2 PRO A 26 5.474 6.240 5.967 1.00 49.82 H new ATOM 0 HB3 PRO A 26 5.057 7.237 7.346 1.00 49.82 H new ATOM 0 HG2 PRO A 26 7.731 7.020 5.918 1.00 49.82 H new ATOM 0 HG3 PRO A 26 6.878 8.467 6.417 1.00 49.82 H new ATOM 0 HD2 PRO A 26 8.877 7.477 8.021 1.00 50.00 H new ATOM 0 HD3 PRO A 26 7.442 8.152 8.768 1.00 50.00 H new ATOM 417 N PRO A 27 5.638 3.385 6.845 1.00 49.71 N ATOM 418 CA PRO A 27 5.854 2.135 6.125 1.00 50.02 C ATOM 419 C PRO A 27 6.097 2.388 4.644 1.00 50.51 C ATOM 420 O PRO A 27 5.677 3.410 4.101 1.00 49.49 O ATOM 421 CB PRO A 27 4.566 1.332 6.372 1.00 49.82 C ATOM 422 CG PRO A 27 3.494 2.368 6.571 1.00 49.82 C ATOM 423 CD PRO A 27 4.298 3.456 7.444 1.00 50.00 C ATOM 0 HA PRO A 27 6.739 1.598 6.467 1.00 50.02 H new ATOM 0 HB2 PRO A 27 4.337 0.684 5.526 1.00 49.82 H new ATOM 0 HB3 PRO A 27 4.663 0.691 7.248 1.00 49.82 H new ATOM 0 HG2 PRO A 27 3.133 2.778 5.628 1.00 49.82 H new ATOM 0 HG3 PRO A 27 2.627 1.971 7.099 1.00 49.82 H new ATOM 0 HD2 PRO A 27 3.863 4.452 7.358 1.00 50.00 H new ATOM 0 HD3 PRO A 27 4.309 3.203 8.504 1.00 50.00 H new ATOM 431 N SER A 28 6.777 1.450 3.992 1.00 49.53 N ATOM 432 CA SER A 28 7.054 1.557 2.565 1.00 50.07 C ATOM 433 C SER A 28 5.766 1.542 1.752 1.00 50.51 C ATOM 434 O SER A 28 4.900 0.690 1.957 1.00 49.49 O ATOM 435 CB SER A 28 7.968 0.430 2.125 1.00 50.05 C ATOM 436 OG SER A 28 8.068 0.347 0.730 1.00 49.34 O ATOM 0 H SER A 28 7.146 0.606 4.431 1.00 49.53 H new ATOM 0 HA SER A 28 7.553 2.510 2.386 1.00 50.07 H new ATOM 0 HB2 SER A 28 8.960 0.581 2.551 1.00 50.05 H new ATOM 0 HB3 SER A 28 7.593 -0.515 2.518 1.00 50.05 H new ATOM 0 HG SER A 28 8.925 -0.061 0.487 1.00 49.34 H new ATOM 442 N GLN A 29 5.643 2.489 0.828 1.00 49.53 N ATOM 443 CA GLN A 29 4.510 2.524 -0.089 1.00 50.07 C ATOM 444 C GLN A 29 4.634 1.447 -1.159 1.00 50.51 C ATOM 445 O GLN A 29 5.722 1.193 -1.674 1.00 49.49 O ATOM 446 CB GLN A 29 4.398 3.899 -0.752 1.00 49.82 C ATOM 447 CG GLN A 29 4.082 5.031 0.212 1.00 49.82 C ATOM 448 CD GLN A 29 3.906 6.361 -0.496 1.00 50.55 C ATOM 449 OE1 GLN A 29 4.882 6.994 -0.908 1.00 49.45 O ATOM 450 NE2 GLN A 29 2.659 6.796 -0.637 1.00 49.38 N ATOM 0 H GLN A 29 6.316 3.244 0.694 1.00 49.53 H new ATOM 0 HA GLN A 29 3.608 2.332 0.493 1.00 50.07 H new ATOM 0 HB2 GLN A 29 5.335 4.122 -1.262 1.00 49.82 H new ATOM 0 HB3 GLN A 29 3.621 3.860 -1.516 1.00 49.82 H new ATOM 0 HG2 GLN A 29 3.172 4.792 0.763 1.00 49.82 H new ATOM 0 HG3 GLN A 29 4.885 5.116 0.944 1.00 49.82 H new ATOM 0 HE21 GLN A 29 1.882 6.240 -0.281 1.00 49.38 H new ATOM 0 HE22 GLN A 29 2.479 7.686 -1.101 1.00 49.38 H new ATOM 459 N GLY A 30 3.512 0.815 -1.487 1.00 49.53 N ATOM 460 CA GLY A 30 3.494 -0.239 -2.495 1.00 49.98 C ATOM 461 C GLY A 30 4.097 -1.529 -1.955 1.00 50.51 C ATOM 462 O GLY A 30 3.995 -1.822 -0.764 1.00 49.49 O ATOM 0 H GLY A 30 2.603 1.014 -1.069 1.00 49.53 H new ATOM 0 HA2 GLY A 30 2.468 -0.421 -2.816 1.00 49.98 H new ATOM 0 HA3 GLY A 30 4.051 0.086 -3.374 1.00 49.98 H new ATOM 466 N LYS A 31 4.724 -2.298 -2.838 1.00 49.53 N ATOM 467 CA LYS A 31 5.325 -3.571 -2.456 1.00 50.07 C ATOM 468 C LYS A 31 6.477 -3.366 -1.482 1.00 50.51 C ATOM 469 O LYS A 31 7.327 -2.499 -1.684 1.00 49.49 O ATOM 470 CB LYS A 31 5.810 -4.327 -3.694 1.00 49.82 C ATOM 471 CG LYS A 31 6.370 -5.713 -3.404 1.00 49.82 C ATOM 472 CD LYS A 31 6.757 -6.433 -4.688 1.00 49.82 C ATOM 473 CE LYS A 31 7.309 -7.821 -4.400 1.00 50.21 C ATOM 474 NZ LYS A 31 7.692 -8.538 -5.647 1.00 49.70 N1+ ATOM 0 H LYS A 31 4.830 -2.062 -3.825 1.00 49.53 H new ATOM 0 HA LYS A 31 4.559 -4.165 -1.957 1.00 50.07 H new ATOM 0 HB2 LYS A 31 4.981 -4.423 -4.395 1.00 49.82 H new ATOM 0 HB3 LYS A 31 6.579 -3.734 -4.189 1.00 49.82 H new ATOM 0 HG2 LYS A 31 7.242 -5.627 -2.756 1.00 49.82 H new ATOM 0 HG3 LYS A 31 5.628 -6.302 -2.864 1.00 49.82 H new ATOM 0 HD2 LYS A 31 5.886 -6.514 -5.339 1.00 49.82 H new ATOM 0 HD3 LYS A 31 7.503 -5.847 -5.225 1.00 49.82 H new ATOM 0 HE2 LYS A 31 8.179 -7.737 -3.748 1.00 50.21 H new ATOM 0 HE3 LYS A 31 6.562 -8.404 -3.861 1.00 50.21 H new ATOM 0 HZ1 LYS A 31 8.063 -9.479 -5.406 1.00 49.70 H new ATOM 0 HZ2 LYS A 31 6.857 -8.641 -6.259 1.00 49.70 H new ATOM 0 HZ3 LYS A 31 8.424 -7.995 -6.149 1.00 49.70 H new ATOM 488 N GLY A 32 6.501 -4.170 -0.424 1.00 49.53 N ATOM 489 CA GLY A 32 7.547 -4.074 0.588 1.00 49.98 C ATOM 490 C GLY A 32 7.078 -3.269 1.792 1.00 50.51 C ATOM 491 O GLY A 32 7.888 -2.813 2.600 1.00 49.49 O ATOM 0 H GLY A 32 5.807 -4.896 -0.245 1.00 49.53 H new ATOM 0 HA2 GLY A 32 7.840 -5.074 0.908 1.00 49.98 H new ATOM 0 HA3 GLY A 32 8.432 -3.606 0.157 1.00 49.98 H new ATOM 495 N ARG A 33 5.766 -3.097 1.908 1.00 49.53 N ATOM 496 CA ARG A 33 5.189 -2.300 2.983 1.00 50.07 C ATOM 497 C ARG A 33 5.519 -2.894 4.346 1.00 50.51 C ATOM 498 O ARG A 33 5.416 -4.103 4.550 1.00 49.49 O ATOM 499 CB ARG A 33 3.690 -2.102 2.811 1.00 49.82 C ATOM 500 CG ARG A 33 3.044 -1.183 3.836 1.00 49.82 C ATOM 501 CD ARG A 33 1.599 -0.927 3.605 1.00 50.20 C ATOM 502 NE ARG A 33 0.982 -0.040 4.577 1.00 49.30 N ATOM 503 CZ ARG A 33 -0.307 0.354 4.543 1.00 50.64 C ATOM 504 NH1 ARG A 33 -1.105 -0.026 3.570 1.00 49.20 N1+ ATOM 505 NH2 ARG A 33 -0.740 1.153 5.502 1.00 49.20 N ATOM 0 H ARG A 33 5.081 -3.500 1.269 1.00 49.53 H new ATOM 0 HA ARG A 33 5.645 -1.312 2.929 1.00 50.07 H new ATOM 0 HB2 ARG A 33 3.503 -1.700 1.815 1.00 49.82 H new ATOM 0 HB3 ARG A 33 3.202 -3.075 2.858 1.00 49.82 H new ATOM 0 HG2 ARG A 33 3.170 -1.619 4.827 1.00 49.82 H new ATOM 0 HG3 ARG A 33 3.574 -0.230 3.837 1.00 49.82 H new ATOM 0 HD2 ARG A 33 1.473 -0.500 2.610 1.00 50.20 H new ATOM 0 HD3 ARG A 33 1.068 -1.879 3.612 1.00 50.20 H new ATOM 0 HE ARG A 33 1.565 0.309 5.338 1.00 49.30 H new ATOM 0 HH11 ARG A 33 -0.752 -0.628 2.826 1.00 49.20 H new ATOM 0 HH12 ARG A 33 -2.078 0.281 3.559 1.00 49.20 H new ATOM 0 HH21 ARG A 33 -0.104 1.454 6.240 1.00 49.20 H new ATOM 0 HH22 ARG A 33 -1.710 1.468 5.504 1.00 49.20 H new ATOM 519 N GLY A 34 5.918 -2.035 5.279 1.00 49.53 N ATOM 520 CA GLY A 34 6.305 -2.478 6.613 1.00 49.98 C ATOM 521 C GLY A 34 5.088 -2.632 7.517 1.00 50.51 C ATOM 522 O GLY A 34 3.951 -2.638 7.046 1.00 49.49 O ATOM 0 H GLY A 34 5.982 -1.027 5.135 1.00 49.53 H new ATOM 0 HA2 GLY A 34 6.833 -3.429 6.544 1.00 49.98 H new ATOM 0 HA3 GLY A 34 6.998 -1.760 7.051 1.00 49.98 H new ATOM 526 N LEU A 35 5.334 -2.756 8.817 1.00 49.53 N ATOM 527 CA LEU A 35 4.264 -2.980 9.781 1.00 50.07 C ATOM 528 C LEU A 35 3.952 -1.710 10.562 1.00 50.51 C ATOM 529 O LEU A 35 3.105 -1.712 11.455 1.00 49.49 O ATOM 530 CB LEU A 35 4.643 -4.117 10.739 1.00 49.82 C ATOM 531 CG LEU A 35 4.892 -5.476 10.073 1.00 49.91 C ATOM 532 CD1 LEU A 35 5.357 -6.488 11.110 1.00 49.73 C ATOM 533 CD2 LEU A 35 3.617 -5.950 9.390 1.00 49.73 C ATOM 0 H LEU A 35 6.266 -2.705 9.227 1.00 49.53 H new ATOM 0 HA LEU A 35 3.367 -3.265 9.231 1.00 50.07 H new ATOM 0 HB2 LEU A 35 5.541 -3.827 11.284 1.00 49.82 H new ATOM 0 HB3 LEU A 35 3.847 -4.231 11.475 1.00 49.82 H new ATOM 0 HG LEU A 35 5.675 -5.374 9.321 1.00 49.91 H new ATOM 0 HD11 LEU A 35 5.531 -7.450 10.627 1.00 49.73 H new ATOM 0 HD12 LEU A 35 6.282 -6.140 11.569 1.00 49.73 H new ATOM 0 HD13 LEU A 35 4.591 -6.601 11.877 1.00 49.73 H new ATOM 0 HD21 LEU A 35 3.795 -6.916 8.917 1.00 49.73 H new ATOM 0 HD22 LEU A 35 2.823 -6.049 10.130 1.00 49.73 H new ATOM 0 HD23 LEU A 35 3.319 -5.225 8.633 1.00 49.73 H new ATOM 545 N SER A 36 4.642 -0.627 10.221 1.00 49.53 N ATOM 546 CA SER A 36 4.438 0.652 10.889 1.00 50.07 C ATOM 547 C SER A 36 2.996 1.123 10.752 1.00 50.51 C ATOM 548 O SER A 36 2.630 2.187 11.253 1.00 49.49 O ATOM 549 CB SER A 36 5.388 1.693 10.327 1.00 50.05 C ATOM 550 OG SER A 36 5.167 2.961 10.879 1.00 49.34 O ATOM 0 H SER A 36 5.348 -0.610 9.485 1.00 49.53 H new ATOM 0 HA SER A 36 4.647 0.516 11.950 1.00 50.07 H new ATOM 0 HB2 SER A 36 6.416 1.388 10.522 1.00 50.05 H new ATOM 0 HB3 SER A 36 5.270 1.744 9.245 1.00 50.05 H new ATOM 0 HG SER A 36 5.921 3.548 10.663 1.00 49.34 H new TER 556 SER A 36