USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=9 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 6 THR OG1 : rot 177:sc= 1.27 USER MOD Set 1.2: A 14 HIS : no HE2:sc= 0.841 K(o=2.1,f=-3) USER MOD Set 2.1: A 3 HIS : no HE2:sc= 2.24 K(o=4.7,f=-11!) USER MOD Set 2.2: A 17 LYS NZ :NH3+ 178:sc= 2.13 (180deg=0.902) USER MOD Set 2.3: A 24 THR OG1 : rot 49:sc= 0.285 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0.867 K(o=0.87,f=-0.61) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 10 ASN : amide:sc=-0.00202 K(o=-0.002,f=-1.3!) USER MOD Single : A 18 ASN : amide:sc= 0.0561 K(o=0.056,f=-6.8!) USER MOD Single : A 21 THR OG1 : rot -24:sc= 1.09 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -19:sc= 0.689 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.217 14.878 15.893 1.00 49.53 N ATOM 2 CA SER A 1 11.907 14.921 15.256 1.00 50.07 C ATOM 3 C SER A 1 11.583 13.599 14.573 1.00 50.51 C ATOM 4 O SER A 1 12.356 13.107 13.751 1.00 49.49 O ATOM 5 CB SER A 1 11.848 16.060 14.256 1.00 50.05 C ATOM 6 OG SER A 1 10.647 16.069 13.537 1.00 49.34 O ATOM 0 H1 SER A 1 13.411 15.792 16.350 1.00 49.53 H new ATOM 0 H2 SER A 1 13.231 14.123 16.608 1.00 49.53 H new ATOM 0 H3 SER A 1 13.946 14.688 15.176 1.00 49.53 H new ATOM 0 HA SER A 1 11.159 15.090 16.031 1.00 50.07 H new ATOM 0 HB2 SER A 1 11.963 17.009 14.781 1.00 50.05 H new ATOM 0 HB3 SER A 1 12.685 15.976 13.562 1.00 50.05 H new ATOM 0 HG SER A 1 10.649 16.819 12.906 1.00 49.34 H new ATOM 12 N GLN A 2 10.434 13.027 14.916 1.00 49.53 N ATOM 13 CA GLN A 2 9.996 11.768 14.323 1.00 50.07 C ATOM 14 C GLN A 2 9.642 11.946 12.853 1.00 50.51 C ATOM 15 O GLN A 2 8.870 12.834 12.493 1.00 49.49 O ATOM 16 CB GLN A 2 8.789 11.210 15.082 1.00 49.82 C ATOM 17 CG GLN A 2 8.256 9.901 14.525 1.00 49.82 C ATOM 18 CD GLN A 2 7.197 9.282 15.417 1.00 50.55 C ATOM 19 OE1 GLN A 2 6.620 9.952 16.278 1.00 49.45 O ATOM 20 NE2 GLN A 2 6.938 7.994 15.220 1.00 49.38 N ATOM 0 H GLN A 2 9.788 13.416 15.603 1.00 49.53 H new ATOM 0 HA GLN A 2 10.823 11.062 14.396 1.00 50.07 H new ATOM 0 HB2 GLN A 2 9.067 11.062 16.126 1.00 49.82 H new ATOM 0 HB3 GLN A 2 7.990 11.951 15.067 1.00 49.82 H new ATOM 0 HG2 GLN A 2 7.836 10.075 13.534 1.00 49.82 H new ATOM 0 HG3 GLN A 2 9.081 9.199 14.403 1.00 49.82 H new ATOM 0 HE21 GLN A 2 7.439 7.478 14.497 1.00 49.38 H new ATOM 0 HE22 GLN A 2 6.238 7.521 15.792 1.00 49.38 H new ATOM 29 N HIS A 3 10.211 11.095 12.006 1.00 49.53 N ATOM 30 CA HIS A 3 9.866 11.076 10.590 1.00 50.07 C ATOM 31 C HIS A 3 8.402 10.705 10.385 1.00 50.51 C ATOM 32 O HIS A 3 7.896 9.769 11.003 1.00 49.49 O ATOM 33 CB HIS A 3 10.765 10.100 9.825 1.00 49.92 C ATOM 34 CG HIS A 3 10.655 10.220 8.338 1.00 50.22 C ATOM 35 ND1 HIS A 3 9.601 9.689 7.624 1.00 49.30 N ATOM 36 CD2 HIS A 3 11.467 10.808 7.428 1.00 49.95 C ATOM 37 CE1 HIS A 3 9.769 9.948 6.339 1.00 50.25 C ATOM 38 NE2 HIS A 3 10.894 10.625 6.194 1.00 49.64 N ATOM 0 H HIS A 3 10.915 10.408 12.277 1.00 49.53 H new ATOM 0 HA HIS A 3 10.025 12.081 10.199 1.00 50.07 H new ATOM 0 HB2 HIS A 3 11.801 10.268 10.118 1.00 49.92 H new ATOM 0 HB3 HIS A 3 10.512 9.081 10.118 1.00 49.92 H new ATOM 0 HD1 HIS A 3 8.815 9.177 8.025 1.00 49.30 H new ATOM 0 HD2 HIS A 3 12.393 11.325 7.634 1.00 49.95 H new ATOM 0 HE1 HIS A 3 9.100 9.656 5.543 1.00 50.25 H new ATOM 46 N GLY A 4 7.726 11.446 9.512 1.00 49.53 N ATOM 47 CA GLY A 4 6.291 11.277 9.316 1.00 49.98 C ATOM 48 C GLY A 4 5.988 10.009 8.529 1.00 50.51 C ATOM 49 O GLY A 4 6.900 9.312 8.081 1.00 49.49 O ATOM 0 H GLY A 4 8.149 12.169 8.930 1.00 49.53 H new ATOM 0 HA2 GLY A 4 5.792 11.235 10.284 1.00 49.98 H new ATOM 0 HA3 GLY A 4 5.889 12.141 8.787 1.00 49.98 H new ATOM 53 N ARG A 5 4.703 9.714 8.364 1.00 49.53 N ATOM 54 CA ARG A 5 4.278 8.500 7.676 1.00 50.07 C ATOM 55 C ARG A 5 4.795 8.468 6.245 1.00 50.51 C ATOM 56 O ARG A 5 4.571 9.399 5.472 1.00 49.49 O ATOM 57 CB ARG A 5 2.769 8.310 7.728 1.00 49.82 C ATOM 58 CG ARG A 5 2.275 6.973 7.201 1.00 49.82 C ATOM 59 CD ARG A 5 0.807 6.775 7.312 1.00 50.20 C ATOM 60 NE ARG A 5 0.291 6.839 8.671 1.00 49.30 N ATOM 61 CZ ARG A 5 0.358 5.831 9.561 1.00 50.64 C ATOM 62 NH1 ARG A 5 0.880 4.669 9.233 1.00 49.20 N1+ ATOM 63 NH2 ARG A 5 -0.139 6.032 10.769 1.00 49.20 N ATOM 0 H ARG A 5 3.937 10.299 8.697 1.00 49.53 H new ATOM 0 HA ARG A 5 4.720 7.658 8.209 1.00 50.07 H new ATOM 0 HB2 ARG A 5 2.439 8.422 8.761 1.00 49.82 H new ATOM 0 HB3 ARG A 5 2.297 9.107 7.154 1.00 49.82 H new ATOM 0 HG2 ARG A 5 2.564 6.880 6.154 1.00 49.82 H new ATOM 0 HG3 ARG A 5 2.779 6.173 7.744 1.00 49.82 H new ATOM 0 HD2 ARG A 5 0.304 7.532 6.710 1.00 50.20 H new ATOM 0 HD3 ARG A 5 0.550 5.806 6.885 1.00 50.20 H new ATOM 0 HE ARG A 5 -0.152 7.708 8.970 1.00 49.30 H new ATOM 0 HH11 ARG A 5 1.242 4.520 8.291 1.00 49.20 H new ATOM 0 HH12 ARG A 5 0.922 3.917 9.920 1.00 49.20 H new ATOM 0 HH21 ARG A 5 -0.558 6.931 11.005 1.00 49.20 H new ATOM 0 HH22 ARG A 5 -0.103 5.288 11.466 1.00 49.20 H new ATOM 77 N THR A 6 5.489 7.389 5.896 1.00 49.53 N ATOM 78 CA THR A 6 6.119 7.274 4.586 1.00 50.07 C ATOM 79 C THR A 6 5.097 6.921 3.513 1.00 50.51 C ATOM 80 O THR A 6 4.009 6.434 3.814 1.00 49.49 O ATOM 81 CB THR A 6 7.235 6.213 4.587 1.00 50.14 C ATOM 82 OG1 THR A 6 6.677 4.929 4.900 1.00 49.34 O ATOM 83 CG2 THR A 6 8.302 6.561 5.612 1.00 49.73 C ATOM 0 H THR A 6 5.629 6.581 6.503 1.00 49.53 H new ATOM 0 HA THR A 6 6.556 8.247 4.361 1.00 50.07 H new ATOM 0 HB THR A 6 7.692 6.188 3.598 1.00 50.14 H new ATOM 0 HG1 THR A 6 7.379 4.247 4.855 1.00 49.34 H new ATOM 0 HG21 THR A 6 9.082 5.800 5.598 1.00 49.73 H new ATOM 0 HG22 THR A 6 8.737 7.531 5.370 1.00 49.73 H new ATOM 0 HG23 THR A 6 7.853 6.602 6.605 1.00 49.73 H new ATOM 91 N GLN A 7 5.456 7.171 2.258 1.00 49.53 N ATOM 92 CA GLN A 7 4.553 6.924 1.140 1.00 50.07 C ATOM 93 C GLN A 7 5.192 6.003 0.108 1.00 50.51 C ATOM 94 O GLN A 7 5.978 6.445 -0.730 1.00 49.49 O ATOM 95 CB GLN A 7 4.149 8.244 0.475 1.00 49.82 C ATOM 96 CG GLN A 7 3.289 9.142 1.347 1.00 49.82 C ATOM 97 CD GLN A 7 2.913 10.436 0.650 1.00 50.55 C ATOM 98 OE1 GLN A 7 3.212 10.631 -0.531 1.00 49.45 O ATOM 99 NE2 GLN A 7 2.256 11.331 1.379 1.00 49.38 N ATOM 0 H GLN A 7 6.366 7.545 1.990 1.00 49.53 H new ATOM 0 HA GLN A 7 3.663 6.434 1.536 1.00 50.07 H new ATOM 0 HB2 GLN A 7 5.051 8.787 0.192 1.00 49.82 H new ATOM 0 HB3 GLN A 7 3.608 8.024 -0.445 1.00 49.82 H new ATOM 0 HG2 GLN A 7 2.382 8.608 1.630 1.00 49.82 H new ATOM 0 HG3 GLN A 7 3.825 9.371 2.268 1.00 49.82 H new ATOM 0 HE21 GLN A 7 2.029 11.128 2.353 1.00 49.38 H new ATOM 0 HE22 GLN A 7 1.978 12.221 0.965 1.00 49.38 H new ATOM 108 N ASP A 8 4.850 4.721 0.175 1.00 49.53 N ATOM 109 CA ASP A 8 5.346 3.745 -0.789 1.00 50.07 C ATOM 110 C ASP A 8 6.864 3.796 -0.892 1.00 50.51 C ATOM 111 O ASP A 8 7.421 3.806 -1.990 1.00 49.49 O ATOM 112 CB ASP A 8 4.716 3.981 -2.164 1.00 49.72 C ATOM 113 CG ASP A 8 4.822 2.798 -3.115 1.00 50.62 C ATOM 114 OD1 ASP A 8 5.072 1.710 -2.653 1.00 49.24 O ATOM 115 OD2 ASP A 8 4.498 2.958 -4.268 1.00 49.24 O1- ATOM 0 H ASP A 8 4.231 4.333 0.887 1.00 49.53 H new ATOM 0 HA ASP A 8 5.062 2.754 -0.436 1.00 50.07 H new ATOM 0 HB2 ASP A 8 3.663 4.231 -2.030 1.00 49.72 H new ATOM 0 HB3 ASP A 8 5.193 4.846 -2.625 1.00 49.72 H new ATOM 120 N GLU A 9 7.531 3.828 0.256 1.00 49.53 N ATOM 121 CA GLU A 9 8.987 3.851 0.297 1.00 50.07 C ATOM 122 C GLU A 9 9.552 2.466 0.586 1.00 50.51 C ATOM 123 O GLU A 9 8.858 1.601 1.121 1.00 49.49 O ATOM 124 CB GLU A 9 9.479 4.849 1.349 1.00 49.82 C ATOM 125 CG GLU A 9 9.210 6.307 1.005 1.00 49.72 C ATOM 126 CD GLU A 9 9.623 7.218 2.128 1.00 50.62 C ATOM 127 OE1 GLU A 9 10.723 7.079 2.606 1.00 49.24 O ATOM 128 OE2 GLU A 9 8.885 8.124 2.433 1.00 49.24 O1- ATOM 0 H GLU A 9 7.084 3.839 1.173 1.00 49.53 H new ATOM 0 HA GLU A 9 9.342 4.167 -0.684 1.00 50.07 H new ATOM 0 HB2 GLU A 9 9.002 4.619 2.302 1.00 49.82 H new ATOM 0 HB3 GLU A 9 10.551 4.713 1.488 1.00 49.82 H new ATOM 0 HG2 GLU A 9 9.752 6.575 0.098 1.00 49.72 H new ATOM 0 HG3 GLU A 9 8.149 6.444 0.794 1.00 49.72 H new ATOM 135 N ASN A 10 10.816 2.262 0.229 1.00 49.53 N ATOM 136 CA ASN A 10 11.436 0.946 0.329 1.00 50.07 C ATOM 137 C ASN A 10 11.668 0.556 1.783 1.00 50.51 C ATOM 138 O ASN A 10 11.900 1.412 2.637 1.00 49.49 O ATOM 139 CB ASN A 10 12.742 0.889 -0.444 1.00 49.82 C ATOM 140 CG ASN A 10 12.562 0.894 -1.936 1.00 50.55 C ATOM 141 OD1 ASN A 10 11.494 0.549 -2.455 1.00 49.45 O ATOM 142 ND2 ASN A 10 13.627 1.203 -2.632 1.00 49.38 N ATOM 0 H ASN A 10 11.431 2.991 -0.132 1.00 49.53 H new ATOM 0 HA ASN A 10 10.745 0.229 -0.115 1.00 50.07 H new ATOM 0 HB2 ASN A 10 13.360 1.740 -0.159 1.00 49.82 H new ATOM 0 HB3 ASN A 10 13.286 -0.011 -0.156 1.00 49.82 H new ATOM 0 HD21 ASN A 10 13.599 1.165 -3.651 1.00 49.38 H new ATOM 0 HD22 ASN A 10 14.485 1.482 -2.155 1.00 49.38 H new ATOM 149 N PRO A 11 11.604 -0.743 2.059 1.00 49.71 N ATOM 150 CA PRO A 11 11.867 -1.255 3.398 1.00 50.02 C ATOM 151 C PRO A 11 13.317 -1.024 3.801 1.00 50.51 C ATOM 152 O PRO A 11 13.637 -0.950 4.988 1.00 49.49 O ATOM 153 CB PRO A 11 11.524 -2.751 3.302 1.00 49.82 C ATOM 154 CG PRO A 11 11.685 -3.092 1.846 1.00 49.82 C ATOM 155 CD PRO A 11 11.209 -1.806 1.125 1.00 50.00 C ATOM 0 HA PRO A 11 11.279 -0.752 4.166 1.00 50.02 H new ATOM 0 HB2 PRO A 11 12.190 -3.350 3.924 1.00 49.82 H new ATOM 0 HB3 PRO A 11 10.507 -2.946 3.643 1.00 49.82 H new ATOM 0 HG2 PRO A 11 12.720 -3.331 1.601 1.00 49.82 H new ATOM 0 HG3 PRO A 11 11.083 -3.957 1.566 1.00 49.82 H new ATOM 0 HD2 PRO A 11 11.686 -1.688 0.152 1.00 50.00 H new ATOM 0 HD3 PRO A 11 10.133 -1.814 0.953 1.00 50.00 H new ATOM 163 N VAL A 12 14.192 -0.911 2.807 1.00 49.53 N ATOM 164 CA VAL A 12 15.584 -0.551 3.048 1.00 50.07 C ATOM 165 C VAL A 12 15.710 0.905 3.475 1.00 50.51 C ATOM 166 O VAL A 12 16.484 1.234 4.374 1.00 49.49 O ATOM 167 CB VAL A 12 16.454 -0.788 1.800 1.00 49.91 C ATOM 168 CG1 VAL A 12 17.856 -0.239 2.015 1.00 49.73 C ATOM 169 CG2 VAL A 12 16.509 -2.270 1.461 1.00 49.73 C ATOM 0 H VAL A 12 13.961 -1.064 1.825 1.00 49.53 H new ATOM 0 HA VAL A 12 15.939 -1.194 3.853 1.00 50.07 H new ATOM 0 HB VAL A 12 16.002 -0.259 0.961 1.00 49.91 H new ATOM 0 HG11 VAL A 12 18.457 -0.415 1.123 1.00 49.73 H new ATOM 0 HG12 VAL A 12 17.801 0.832 2.210 1.00 49.73 H new ATOM 0 HG13 VAL A 12 18.316 -0.740 2.867 1.00 49.73 H new ATOM 0 HG21 VAL A 12 17.128 -2.418 0.576 1.00 49.73 H new ATOM 0 HG22 VAL A 12 16.937 -2.819 2.300 1.00 49.73 H new ATOM 0 HG23 VAL A 12 15.501 -2.636 1.264 1.00 49.73 H new ATOM 179 N VAL A 13 14.946 1.776 2.824 1.00 49.53 N ATOM 180 CA VAL A 13 14.862 3.174 3.228 1.00 50.07 C ATOM 181 C VAL A 13 14.266 3.310 4.623 1.00 50.51 C ATOM 182 O VAL A 13 14.714 4.131 5.423 1.00 49.49 O ATOM 183 CB VAL A 13 14.019 3.999 2.237 1.00 49.91 C ATOM 184 CG1 VAL A 13 13.771 5.397 2.784 1.00 49.73 C ATOM 185 CG2 VAL A 13 14.709 4.073 0.883 1.00 49.73 C ATOM 0 H VAL A 13 14.375 1.537 2.013 1.00 49.53 H new ATOM 0 HA VAL A 13 15.881 3.561 3.233 1.00 50.07 H new ATOM 0 HB VAL A 13 13.057 3.503 2.107 1.00 49.91 H new ATOM 0 HG11 VAL A 13 13.174 5.966 2.071 1.00 49.73 H new ATOM 0 HG12 VAL A 13 13.236 5.327 3.731 1.00 49.73 H new ATOM 0 HG13 VAL A 13 14.725 5.900 2.942 1.00 49.73 H new ATOM 0 HG21 VAL A 13 14.099 4.659 0.196 1.00 49.73 H new ATOM 0 HG22 VAL A 13 15.684 4.546 0.997 1.00 49.73 H new ATOM 0 HG23 VAL A 13 14.838 3.067 0.485 1.00 49.73 H new ATOM 195 N HIS A 14 13.252 2.501 4.908 1.00 49.53 N ATOM 196 CA HIS A 14 12.656 2.459 6.239 1.00 50.07 C ATOM 197 C HIS A 14 13.682 2.061 7.291 1.00 50.51 C ATOM 198 O HIS A 14 13.764 2.673 8.356 1.00 49.49 O ATOM 199 CB HIS A 14 11.470 1.489 6.271 1.00 49.92 C ATOM 200 CG HIS A 14 10.289 1.956 5.480 1.00 50.22 C ATOM 201 ND1 HIS A 14 9.287 1.104 5.064 1.00 49.30 N ATOM 202 CD2 HIS A 14 9.949 3.186 5.026 1.00 49.95 C ATOM 203 CE1 HIS A 14 8.381 1.790 4.390 1.00 50.25 C ATOM 204 NE2 HIS A 14 8.760 3.055 4.352 1.00 49.64 N ATOM 0 H HIS A 14 12.825 1.865 4.235 1.00 49.53 H new ATOM 0 HA HIS A 14 12.298 3.462 6.471 1.00 50.07 H new ATOM 0 HB2 HIS A 14 11.793 0.521 5.887 1.00 49.92 H new ATOM 0 HB3 HIS A 14 11.165 1.336 7.306 1.00 49.92 H new ATOM 0 HD1 HIS A 14 9.251 0.101 5.248 1.00 49.30 H new ATOM 0 HD2 HIS A 14 10.508 4.099 5.168 1.00 49.95 H new ATOM 0 HE1 HIS A 14 7.484 1.386 3.946 1.00 50.25 H new ATOM 212 N PHE A 15 14.467 1.032 6.985 1.00 49.53 N ATOM 213 CA PHE A 15 15.519 0.576 7.886 1.00 50.07 C ATOM 214 C PHE A 15 16.474 1.710 8.237 1.00 50.51 C ATOM 215 O PHE A 15 16.755 1.957 9.409 1.00 49.49 O ATOM 216 CB PHE A 15 16.290 -0.587 7.261 1.00 49.82 C ATOM 217 CG PHE A 15 17.434 -1.077 8.102 1.00 50.00 C ATOM 218 CD1 PHE A 15 17.205 -1.876 9.213 1.00 49.88 C ATOM 219 CD2 PHE A 15 18.742 -0.741 7.786 1.00 49.88 C ATOM 220 CE1 PHE A 15 18.257 -2.327 9.988 1.00 49.88 C ATOM 221 CE2 PHE A 15 19.794 -1.191 8.558 1.00 49.88 C ATOM 222 CZ PHE A 15 19.551 -1.985 9.660 1.00 49.88 C ATOM 0 H PHE A 15 14.394 0.498 6.119 1.00 49.53 H new ATOM 0 HA PHE A 15 15.046 0.234 8.806 1.00 50.07 H new ATOM 0 HB2 PHE A 15 15.602 -1.413 7.083 1.00 49.82 H new ATOM 0 HB3 PHE A 15 16.673 -0.276 6.289 1.00 49.82 H new ATOM 0 HD1 PHE A 15 16.193 -2.149 9.475 1.00 49.88 H new ATOM 0 HD2 PHE A 15 18.940 -0.120 6.925 1.00 49.88 H new ATOM 0 HE1 PHE A 15 18.065 -2.948 10.851 1.00 49.88 H new ATOM 0 HE2 PHE A 15 20.807 -0.922 8.299 1.00 49.88 H new ATOM 0 HZ PHE A 15 20.374 -2.338 10.264 1.00 49.88 H new ATOM 232 N PHE A 16 16.969 2.398 7.213 1.00 49.53 N ATOM 233 CA PHE A 16 17.874 3.523 7.413 1.00 50.07 C ATOM 234 C PHE A 16 17.227 4.606 8.267 1.00 50.51 C ATOM 235 O PHE A 16 17.818 5.080 9.237 1.00 49.49 O ATOM 236 CB PHE A 16 18.309 4.104 6.066 1.00 49.82 C ATOM 237 CG PHE A 16 19.166 5.333 6.185 1.00 50.00 C ATOM 238 CD1 PHE A 16 20.518 5.227 6.476 1.00 49.88 C ATOM 239 CD2 PHE A 16 18.622 6.596 6.005 1.00 49.88 C ATOM 240 CE1 PHE A 16 21.306 6.357 6.586 1.00 49.88 C ATOM 241 CE2 PHE A 16 19.408 7.725 6.112 1.00 49.88 C ATOM 242 CZ PHE A 16 20.753 7.606 6.403 1.00 49.88 C ATOM 0 H PHE A 16 16.758 2.195 6.236 1.00 49.53 H new ATOM 0 HA PHE A 16 18.754 3.155 7.941 1.00 50.07 H new ATOM 0 HB2 PHE A 16 18.857 3.342 5.512 1.00 49.82 H new ATOM 0 HB3 PHE A 16 17.421 4.346 5.481 1.00 49.82 H new ATOM 0 HD1 PHE A 16 20.959 4.252 6.618 1.00 49.88 H new ATOM 0 HD2 PHE A 16 17.571 6.697 5.778 1.00 49.88 H new ATOM 0 HE1 PHE A 16 22.357 6.261 6.816 1.00 49.88 H new ATOM 0 HE2 PHE A 16 18.971 8.702 5.968 1.00 49.88 H new ATOM 0 HZ PHE A 16 21.369 8.489 6.487 1.00 49.88 H new ATOM 252 N LYS A 17 16.010 4.992 7.900 1.00 49.53 N ATOM 253 CA LYS A 17 15.334 6.111 8.547 1.00 50.07 C ATOM 254 C LYS A 17 14.945 5.765 9.979 1.00 50.51 C ATOM 255 O LYS A 17 14.837 6.647 10.832 1.00 49.49 O ATOM 256 CB LYS A 17 14.095 6.521 7.749 1.00 49.82 C ATOM 257 CG LYS A 17 14.397 7.274 6.460 1.00 49.82 C ATOM 258 CD LYS A 17 13.120 7.744 5.782 1.00 49.82 C ATOM 259 CE LYS A 17 13.423 8.650 4.597 1.00 50.21 C ATOM 260 NZ LYS A 17 12.181 9.173 3.965 1.00 49.70 N1+ ATOM 0 H LYS A 17 15.471 4.546 7.158 1.00 49.53 H new ATOM 0 HA LYS A 17 16.029 6.950 8.576 1.00 50.07 H new ATOM 0 HB2 LYS A 17 13.521 5.626 7.507 1.00 49.82 H new ATOM 0 HB3 LYS A 17 13.462 7.145 8.380 1.00 49.82 H new ATOM 0 HG2 LYS A 17 15.032 8.132 6.678 1.00 49.82 H new ATOM 0 HG3 LYS A 17 14.955 6.629 5.782 1.00 49.82 H new ATOM 0 HD2 LYS A 17 12.546 6.881 5.445 1.00 49.82 H new ATOM 0 HD3 LYS A 17 12.499 8.278 6.501 1.00 49.82 H new ATOM 0 HE2 LYS A 17 14.041 9.485 4.927 1.00 50.21 H new ATOM 0 HE3 LYS A 17 14.002 8.098 3.857 1.00 50.21 H new ATOM 0 HZ1 LYS A 17 12.432 9.812 3.184 1.00 49.70 H new ATOM 0 HZ2 LYS A 17 11.618 8.380 3.596 1.00 49.70 H new ATOM 0 HZ3 LYS A 17 11.624 9.693 4.673 1.00 49.70 H new ATOM 274 N ASN A 18 14.736 4.479 10.236 1.00 49.53 N ATOM 275 CA ASN A 18 14.377 4.013 11.570 1.00 50.07 C ATOM 276 C ASN A 18 15.585 4.015 12.498 1.00 50.51 C ATOM 277 O ASN A 18 15.457 3.789 13.700 1.00 49.49 O ATOM 278 CB ASN A 18 13.752 2.631 11.526 1.00 49.82 C ATOM 279 CG ASN A 18 12.341 2.621 11.007 1.00 50.55 C ATOM 280 OD1 ASN A 18 11.659 3.652 10.984 1.00 49.45 O ATOM 281 ND2 ASN A 18 11.873 1.447 10.667 1.00 49.38 N ATOM 0 H ASN A 18 14.809 3.740 9.537 1.00 49.53 H new ATOM 0 HA ASN A 18 13.637 4.709 11.965 1.00 50.07 H new ATOM 0 HB2 ASN A 18 14.365 1.985 10.898 1.00 49.82 H new ATOM 0 HB3 ASN A 18 13.764 2.205 12.529 1.00 49.82 H new ATOM 0 HD21 ASN A 18 10.903 1.352 10.365 1.00 49.38 H new ATOM 0 HD22 ASN A 18 12.478 0.627 10.704 1.00 49.38 H new ATOM 288 N ILE A 19 16.759 4.272 11.931 1.00 49.53 N ATOM 289 CA ILE A 19 17.982 4.381 12.717 1.00 50.07 C ATOM 290 C ILE A 19 18.328 5.838 12.997 1.00 50.51 C ATOM 291 O ILE A 19 18.626 6.207 14.134 1.00 49.49 O ATOM 292 CB ILE A 19 19.172 3.709 12.007 1.00 49.91 C ATOM 293 CG1 ILE A 19 18.934 2.201 11.879 1.00 49.82 C ATOM 294 CG2 ILE A 19 20.464 3.984 12.760 1.00 49.73 C ATOM 295 CD1 ILE A 19 19.910 1.505 10.959 1.00 49.73 C ATOM 0 H ILE A 19 16.889 4.409 10.929 1.00 49.53 H new ATOM 0 HA ILE A 19 17.796 3.867 13.660 1.00 50.07 H new ATOM 0 HB ILE A 19 19.262 4.130 11.006 1.00 49.91 H new ATOM 0 HG12 ILE A 19 18.995 1.748 12.868 1.00 49.82 H new ATOM 0 HG13 ILE A 19 17.921 2.032 11.513 1.00 49.82 H new ATOM 0 HG21 ILE A 19 21.295 3.502 12.245 1.00 49.73 H new ATOM 0 HG22 ILE A 19 20.638 5.059 12.803 1.00 49.73 H new ATOM 0 HG23 ILE A 19 20.386 3.588 13.773 1.00 49.73 H new ATOM 0 HD11 ILE A 19 19.678 0.441 10.920 1.00 49.73 H new ATOM 0 HD12 ILE A 19 19.833 1.930 9.958 1.00 49.73 H new ATOM 0 HD13 ILE A 19 20.924 1.641 11.334 1.00 49.73 H new ATOM 307 N VAL A 20 18.287 6.662 11.956 1.00 49.53 N ATOM 308 CA VAL A 20 18.705 8.055 12.065 1.00 50.07 C ATOM 309 C VAL A 20 17.591 8.919 12.643 1.00 50.51 C ATOM 310 O VAL A 20 17.844 9.995 13.185 1.00 49.49 O ATOM 311 CB VAL A 20 19.128 8.626 10.699 1.00 49.91 C ATOM 312 CG1 VAL A 20 20.341 7.880 10.162 1.00 49.73 C ATOM 313 CG2 VAL A 20 17.977 8.550 9.709 1.00 49.73 C ATOM 0 H VAL A 20 17.968 6.389 11.026 1.00 49.53 H new ATOM 0 HA VAL A 20 19.563 8.075 12.737 1.00 50.07 H new ATOM 0 HB VAL A 20 19.398 9.673 10.833 1.00 49.91 H new ATOM 0 HG11 VAL A 20 20.626 8.297 9.196 1.00 49.73 H new ATOM 0 HG12 VAL A 20 21.171 7.984 10.861 1.00 49.73 H new ATOM 0 HG13 VAL A 20 20.096 6.824 10.044 1.00 49.73 H new ATOM 0 HG21 VAL A 20 18.295 8.958 8.750 1.00 49.73 H new ATOM 0 HG22 VAL A 20 17.676 7.510 9.580 1.00 49.73 H new ATOM 0 HG23 VAL A 20 17.133 9.127 10.087 1.00 49.73 H new ATOM 323 N THR A 21 16.356 8.443 12.523 1.00 49.53 N ATOM 324 CA THR A 21 15.219 9.093 13.162 1.00 50.07 C ATOM 325 C THR A 21 14.334 8.079 13.875 1.00 50.51 C ATOM 326 O THR A 21 14.426 6.876 13.626 1.00 49.49 O ATOM 327 CB THR A 21 14.368 9.875 12.144 1.00 50.14 C ATOM 328 OG1 THR A 21 13.857 8.974 11.153 1.00 49.34 O ATOM 329 CG2 THR A 21 15.203 10.949 11.463 1.00 49.73 C ATOM 0 H THR A 21 16.117 7.608 11.988 1.00 49.53 H new ATOM 0 HA THR A 21 15.628 9.792 13.892 1.00 50.07 H new ATOM 0 HB THR A 21 13.543 10.352 12.673 1.00 50.14 H new ATOM 0 HG1 THR A 21 14.430 8.181 11.106 1.00 49.34 H new ATOM 0 HG21 THR A 21 14.585 11.491 10.747 1.00 49.73 H new ATOM 0 HG22 THR A 21 15.584 11.643 12.212 1.00 49.73 H new ATOM 0 HG23 THR A 21 16.039 10.483 10.941 1.00 49.73 H new ATOM 337 N PRO A 22 13.476 8.569 14.763 1.00 49.71 N ATOM 338 CA PRO A 22 12.510 7.719 15.447 1.00 50.02 C ATOM 339 C PRO A 22 11.673 6.926 14.452 1.00 50.51 C ATOM 340 O PRO A 22 11.468 7.355 13.316 1.00 49.49 O ATOM 341 CB PRO A 22 11.658 8.701 16.267 1.00 49.82 C ATOM 342 CG PRO A 22 12.542 9.900 16.478 1.00 49.82 C ATOM 343 CD PRO A 22 13.242 9.996 15.024 1.00 50.00 C ATOM 0 HA PRO A 22 12.983 6.967 16.079 1.00 50.02 H new ATOM 0 HB2 PRO A 22 10.746 8.972 15.735 1.00 49.82 H new ATOM 0 HB3 PRO A 22 11.355 8.262 17.217 1.00 49.82 H new ATOM 0 HG2 PRO A 22 11.975 10.797 16.727 1.00 49.82 H new ATOM 0 HG3 PRO A 22 13.265 9.748 17.279 1.00 49.82 H new ATOM 0 HD2 PRO A 22 12.594 10.456 14.278 1.00 50.00 H new ATOM 0 HD3 PRO A 22 14.166 10.574 15.043 1.00 50.00 H new ATOM 351 N ARG A 23 11.189 5.766 14.884 1.00 49.53 N ATOM 352 CA ARG A 23 10.516 4.835 13.988 1.00 50.07 C ATOM 353 C ARG A 23 9.440 5.537 13.170 1.00 50.51 C ATOM 354 O ARG A 23 8.521 6.139 13.724 1.00 49.49 O ATOM 355 CB ARG A 23 9.956 3.629 14.727 1.00 49.82 C ATOM 356 CG ARG A 23 11.002 2.666 15.266 1.00 49.82 C ATOM 357 CD ARG A 23 10.443 1.501 15.999 1.00 50.20 C ATOM 358 NE ARG A 23 9.890 1.820 17.305 1.00 49.30 N ATOM 359 CZ ARG A 23 9.237 0.944 18.093 1.00 50.64 C ATOM 360 NH1 ARG A 23 9.020 -0.292 17.699 1.00 49.20 N1+ ATOM 361 NH2 ARG A 23 8.798 1.367 19.267 1.00 49.20 N ATOM 0 H ARG A 23 11.251 5.449 15.851 1.00 49.53 H new ATOM 0 HA ARG A 23 11.269 4.458 13.296 1.00 50.07 H new ATOM 0 HB2 ARG A 23 9.345 3.982 15.558 1.00 49.82 H new ATOM 0 HB3 ARG A 23 9.294 3.084 14.054 1.00 49.82 H new ATOM 0 HG2 ARG A 23 11.605 2.301 14.435 1.00 49.82 H new ATOM 0 HG3 ARG A 23 11.672 3.211 15.931 1.00 49.82 H new ATOM 0 HD2 ARG A 23 9.663 1.045 15.390 1.00 50.20 H new ATOM 0 HD3 ARG A 23 11.228 0.755 16.123 1.00 50.20 H new ATOM 0 HE ARG A 23 10.004 2.774 17.649 1.00 49.30 H new ATOM 0 HH11 ARG A 23 9.348 -0.601 16.784 1.00 49.20 H new ATOM 0 HH12 ARG A 23 8.524 -0.942 18.309 1.00 49.20 H new ATOM 0 HH21 ARG A 23 8.957 2.333 19.553 1.00 49.20 H new ATOM 0 HH22 ARG A 23 8.300 0.727 19.886 1.00 49.20 H new ATOM 375 N THR A 24 9.559 5.455 11.849 1.00 49.53 N ATOM 376 CA THR A 24 8.638 6.143 10.953 1.00 50.07 C ATOM 377 C THR A 24 7.442 5.263 10.610 1.00 50.51 C ATOM 378 O THR A 24 7.602 4.097 10.249 1.00 49.49 O ATOM 379 CB THR A 24 9.334 6.576 9.650 1.00 50.14 C ATOM 380 OG1 THR A 24 8.472 7.451 8.911 1.00 49.34 O ATOM 381 CG2 THR A 24 9.669 5.362 8.795 1.00 49.73 C ATOM 0 H THR A 24 10.285 4.918 11.375 1.00 49.53 H new ATOM 0 HA THR A 24 8.292 7.031 11.481 1.00 50.07 H new ATOM 0 HB THR A 24 10.258 7.095 9.906 1.00 50.14 H new ATOM 0 HG1 THR A 24 8.123 8.146 9.507 1.00 49.34 H new ATOM 0 HG21 THR A 24 10.160 5.687 7.878 1.00 49.73 H new ATOM 0 HG22 THR A 24 10.335 4.700 9.348 1.00 49.73 H new ATOM 0 HG23 THR A 24 8.752 4.828 8.545 1.00 49.73 H new ATOM 389 N PRO A 25 6.245 5.828 10.724 1.00 49.71 N ATOM 390 CA PRO A 25 5.023 5.106 10.394 1.00 50.02 C ATOM 391 C PRO A 25 5.058 4.590 8.962 1.00 50.51 C ATOM 392 O PRO A 25 5.495 5.291 8.049 1.00 49.49 O ATOM 393 CB PRO A 25 3.906 6.142 10.608 1.00 49.82 C ATOM 394 CG PRO A 25 4.475 7.128 11.591 1.00 49.82 C ATOM 395 CD PRO A 25 5.988 7.239 11.044 1.00 50.00 C ATOM 0 HA PRO A 25 4.878 4.218 11.009 1.00 50.02 H new ATOM 0 HB2 PRO A 25 3.635 6.630 9.672 1.00 49.82 H new ATOM 0 HB3 PRO A 25 3.002 5.673 10.997 1.00 49.82 H new ATOM 0 HG2 PRO A 25 3.954 8.085 11.569 1.00 49.82 H new ATOM 0 HG3 PRO A 25 4.430 6.764 12.618 1.00 49.82 H new ATOM 0 HD2 PRO A 25 6.069 7.886 10.171 1.00 50.00 H new ATOM 0 HD3 PRO A 25 6.676 7.628 11.795 1.00 50.00 H new ATOM 403 N PRO A 26 4.596 3.359 8.770 1.00 49.71 N ATOM 404 CA PRO A 26 4.601 2.735 7.453 1.00 50.02 C ATOM 405 C PRO A 26 3.493 3.298 6.572 1.00 50.51 C ATOM 406 O PRO A 26 2.540 3.900 7.067 1.00 49.49 O ATOM 407 CB PRO A 26 4.402 1.238 7.746 1.00 49.82 C ATOM 408 CG PRO A 26 3.615 1.194 9.026 1.00 49.82 C ATOM 409 CD PRO A 26 4.330 2.390 9.843 1.00 50.00 C ATOM 0 HA PRO A 26 5.522 2.923 6.901 1.00 50.02 H new ATOM 0 HB2 PRO A 26 3.865 0.745 6.935 1.00 49.82 H new ATOM 0 HB3 PRO A 26 5.358 0.726 7.853 1.00 49.82 H new ATOM 0 HG2 PRO A 26 2.552 1.376 8.867 1.00 49.82 H new ATOM 0 HG3 PRO A 26 3.701 0.234 9.534 1.00 49.82 H new ATOM 0 HD2 PRO A 26 3.683 2.802 10.617 1.00 50.00 H new ATOM 0 HD3 PRO A 26 5.245 2.061 10.335 1.00 50.00 H new ATOM 417 N PRO A 27 3.624 3.098 5.266 1.00 49.71 N ATOM 418 CA PRO A 27 2.622 3.565 4.315 1.00 50.02 C ATOM 419 C PRO A 27 1.272 2.908 4.570 1.00 50.51 C ATOM 420 O PRO A 27 1.200 1.804 5.111 1.00 49.49 O ATOM 421 CB PRO A 27 3.200 3.185 2.942 1.00 49.82 C ATOM 422 CG PRO A 27 4.675 3.012 3.176 1.00 49.82 C ATOM 423 CD PRO A 27 4.728 2.391 4.604 1.00 50.00 C ATOM 0 HA PRO A 27 2.433 4.636 4.394 1.00 50.02 H new ATOM 0 HB2 PRO A 27 2.750 2.267 2.564 1.00 49.82 H new ATOM 0 HB3 PRO A 27 3.006 3.962 2.203 1.00 49.82 H new ATOM 0 HG2 PRO A 27 5.128 2.356 2.433 1.00 49.82 H new ATOM 0 HG3 PRO A 27 5.206 3.963 3.128 1.00 49.82 H new ATOM 0 HD2 PRO A 27 4.575 1.312 4.589 1.00 50.00 H new ATOM 0 HD3 PRO A 27 5.684 2.570 5.095 1.00 50.00 H new ATOM 431 N SER A 28 0.202 3.592 4.178 1.00 49.53 N ATOM 432 CA SER A 28 -1.139 3.023 4.246 1.00 50.07 C ATOM 433 C SER A 28 -1.402 2.092 3.070 1.00 50.51 C ATOM 434 O SER A 28 -0.619 2.036 2.122 1.00 49.49 O ATOM 435 CB SER A 28 -2.174 4.130 4.285 1.00 50.05 C ATOM 436 OG SER A 28 -2.240 4.833 3.075 1.00 49.34 O ATOM 0 H SER A 28 0.238 4.542 3.809 1.00 49.53 H new ATOM 0 HA SER A 28 -1.213 2.436 5.161 1.00 50.07 H new ATOM 0 HB2 SER A 28 -3.152 3.704 4.510 1.00 50.05 H new ATOM 0 HB3 SER A 28 -1.934 4.821 5.093 1.00 50.05 H new ATOM 0 HG SER A 28 -2.920 5.536 3.142 1.00 49.34 H new ATOM 442 N GLN A 29 -2.510 1.362 3.136 1.00 49.53 N ATOM 443 CA GLN A 29 -2.888 0.443 2.069 1.00 50.07 C ATOM 444 C GLN A 29 -3.512 1.189 0.896 1.00 50.51 C ATOM 445 O GLN A 29 -4.139 2.233 1.074 1.00 49.49 O ATOM 446 CB GLN A 29 -3.867 -0.611 2.590 1.00 49.82 C ATOM 447 CG GLN A 29 -3.267 -1.571 3.603 1.00 49.82 C ATOM 448 CD GLN A 29 -4.269 -2.601 4.089 1.00 50.55 C ATOM 449 OE1 GLN A 29 -5.441 -2.578 3.703 1.00 49.45 O ATOM 450 NE2 GLN A 29 -3.815 -3.510 4.943 1.00 49.38 N ATOM 0 H GLN A 29 -3.163 1.389 3.919 1.00 49.53 H new ATOM 0 HA GLN A 29 -1.981 -0.052 1.722 1.00 50.07 H new ATOM 0 HB2 GLN A 29 -4.719 -0.106 3.045 1.00 49.82 H new ATOM 0 HB3 GLN A 29 -4.250 -1.184 1.746 1.00 49.82 H new ATOM 0 HG2 GLN A 29 -2.414 -2.081 3.155 1.00 49.82 H new ATOM 0 HG3 GLN A 29 -2.889 -1.006 4.455 1.00 49.82 H new ATOM 0 HE21 GLN A 29 -2.838 -3.492 5.236 1.00 49.38 H new ATOM 0 HE22 GLN A 29 -4.443 -4.227 5.307 1.00 49.38 H new ATOM 459 N GLY A 30 -3.337 0.646 -0.304 1.00 49.53 N ATOM 460 CA GLY A 30 -3.869 1.268 -1.511 1.00 49.98 C ATOM 461 C GLY A 30 -2.822 2.141 -2.190 1.00 50.51 C ATOM 462 O GLY A 30 -3.067 2.703 -3.257 1.00 49.49 O ATOM 0 H GLY A 30 -2.830 -0.224 -0.467 1.00 49.53 H new ATOM 0 HA2 GLY A 30 -4.206 0.496 -2.203 1.00 49.98 H new ATOM 0 HA3 GLY A 30 -4.741 1.872 -1.258 1.00 49.98 H new ATOM 466 N LYS A 31 -1.655 2.252 -1.564 1.00 49.53 N ATOM 467 CA LYS A 31 -0.573 3.069 -2.099 1.00 50.07 C ATOM 468 C LYS A 31 0.456 2.212 -2.825 1.00 50.51 C ATOM 469 O LYS A 31 1.409 2.730 -3.408 1.00 49.49 O ATOM 470 CB LYS A 31 0.100 3.866 -0.980 1.00 49.82 C ATOM 471 CG LYS A 31 -0.830 4.811 -0.232 1.00 49.82 C ATOM 472 CD LYS A 31 -1.409 5.867 -1.162 1.00 49.82 C ATOM 473 CE LYS A 31 -2.306 6.838 -0.408 1.00 50.21 C ATOM 474 NZ LYS A 31 -2.978 7.800 -1.323 1.00 49.70 N1+ ATOM 0 H LYS A 31 -1.435 1.785 -0.684 1.00 49.53 H new ATOM 0 HA LYS A 31 -1.004 3.765 -2.818 1.00 50.07 H new ATOM 0 HB2 LYS A 31 0.539 3.168 -0.267 1.00 49.82 H new ATOM 0 HB3 LYS A 31 0.920 4.444 -1.405 1.00 49.82 H new ATOM 0 HG2 LYS A 31 -1.640 4.242 0.225 1.00 49.82 H new ATOM 0 HG3 LYS A 31 -0.285 5.296 0.578 1.00 49.82 H new ATOM 0 HD2 LYS A 31 -0.598 6.416 -1.642 1.00 49.82 H new ATOM 0 HD3 LYS A 31 -1.979 5.383 -1.955 1.00 49.82 H new ATOM 0 HE2 LYS A 31 -3.059 6.279 0.148 1.00 50.21 H new ATOM 0 HE3 LYS A 31 -1.713 7.387 0.323 1.00 50.21 H new ATOM 0 HZ1 LYS A 31 -3.579 8.443 -0.770 1.00 49.70 H new ATOM 0 HZ2 LYS A 31 -2.260 8.352 -1.835 1.00 49.70 H new ATOM 0 HZ3 LYS A 31 -3.565 7.278 -2.005 1.00 49.70 H new ATOM 488 N GLY A 32 0.258 0.900 -2.787 1.00 49.53 N ATOM 489 CA GLY A 32 1.169 -0.032 -3.442 1.00 49.98 C ATOM 490 C GLY A 32 2.063 -0.734 -2.429 1.00 50.51 C ATOM 491 O GLY A 32 2.823 -1.638 -2.778 1.00 49.49 O ATOM 0 H GLY A 32 -0.526 0.456 -2.309 1.00 49.53 H new ATOM 0 HA2 GLY A 32 0.596 -0.773 -4.000 1.00 49.98 H new ATOM 0 HA3 GLY A 32 1.785 0.504 -4.164 1.00 49.98 H new ATOM 495 N ARG A 33 1.968 -0.314 -1.172 1.00 49.53 N ATOM 496 CA ARG A 33 2.747 -0.922 -0.100 1.00 50.07 C ATOM 497 C ARG A 33 2.348 -2.375 0.116 1.00 50.51 C ATOM 498 O ARG A 33 3.203 -3.249 0.256 1.00 49.49 O ATOM 499 CB ARG A 33 2.664 -0.124 1.193 1.00 49.82 C ATOM 500 CG ARG A 33 3.460 -0.701 2.352 1.00 49.82 C ATOM 501 CD ARG A 33 2.666 -1.549 3.278 1.00 50.20 C ATOM 502 NE ARG A 33 1.675 -0.826 4.058 1.00 49.30 N ATOM 503 CZ ARG A 33 0.649 -1.402 4.714 1.00 50.64 C ATOM 504 NH1 ARG A 33 0.453 -2.702 4.659 1.00 49.20 N1+ ATOM 505 NH2 ARG A 33 -0.171 -0.623 5.398 1.00 49.20 N ATOM 0 H ARG A 33 1.358 0.446 -0.870 1.00 49.53 H new ATOM 0 HA ARG A 33 3.791 -0.906 -0.414 1.00 50.07 H new ATOM 0 HB2 ARG A 33 3.014 0.890 1.000 1.00 49.82 H new ATOM 0 HB3 ARG A 33 1.618 -0.050 1.491 1.00 49.82 H new ATOM 0 HG2 ARG A 33 4.284 -1.293 1.953 1.00 49.82 H new ATOM 0 HG3 ARG A 33 3.902 0.119 2.918 1.00 49.82 H new ATOM 0 HD2 ARG A 33 2.161 -2.322 2.699 1.00 50.20 H new ATOM 0 HD3 ARG A 33 3.348 -2.056 3.961 1.00 50.20 H new ATOM 0 HE ARG A 33 1.763 0.189 4.112 1.00 49.30 H new ATOM 0 HH11 ARG A 33 1.083 -3.290 4.113 1.00 49.20 H new ATOM 0 HH12 ARG A 33 -0.329 -3.122 5.162 1.00 49.20 H new ATOM 0 HH21 ARG A 33 -0.018 0.385 5.419 1.00 49.20 H new ATOM 0 HH22 ARG A 33 -0.957 -1.030 5.905 1.00 49.20 H new ATOM 519 N GLY A 34 1.044 -2.628 0.140 1.00 49.53 N ATOM 520 CA GLY A 34 0.528 -3.981 0.311 1.00 49.98 C ATOM 521 C GLY A 34 0.768 -4.824 -0.936 1.00 50.51 C ATOM 522 O GLY A 34 0.880 -6.047 -0.858 1.00 49.49 O ATOM 0 H GLY A 34 0.324 -1.912 0.043 1.00 49.53 H new ATOM 0 HA2 GLY A 34 1.009 -4.451 1.169 1.00 49.98 H new ATOM 0 HA3 GLY A 34 -0.540 -3.941 0.526 1.00 49.98 H new ATOM 526 N LEU A 35 0.846 -4.162 -2.084 1.00 49.53 N ATOM 527 CA LEU A 35 1.102 -4.845 -3.347 1.00 50.07 C ATOM 528 C LEU A 35 2.575 -5.207 -3.488 1.00 50.51 C ATOM 529 O LEU A 35 2.922 -6.198 -4.132 1.00 49.49 O ATOM 530 CB LEU A 35 0.652 -3.970 -4.525 1.00 49.82 C ATOM 531 CG LEU A 35 -0.857 -3.706 -4.602 1.00 49.91 C ATOM 532 CD1 LEU A 35 -1.160 -2.738 -5.738 1.00 49.73 C ATOM 533 CD2 LEU A 35 -1.595 -5.021 -4.803 1.00 49.73 C ATOM 0 H LEU A 35 0.736 -3.151 -2.167 1.00 49.53 H new ATOM 0 HA LEU A 35 0.526 -5.770 -3.354 1.00 50.07 H new ATOM 0 HB2 LEU A 35 1.170 -3.013 -4.465 1.00 49.82 H new ATOM 0 HB3 LEU A 35 0.969 -4.446 -5.453 1.00 49.82 H new ATOM 0 HG LEU A 35 -1.195 -3.254 -3.669 1.00 49.91 H new ATOM 0 HD11 LEU A 35 -2.234 -2.557 -5.785 1.00 49.73 H new ATOM 0 HD12 LEU A 35 -0.640 -1.796 -5.562 1.00 49.73 H new ATOM 0 HD13 LEU A 35 -0.823 -3.167 -6.682 1.00 49.73 H new ATOM 0 HD21 LEU A 35 -2.667 -4.832 -4.858 1.00 49.73 H new ATOM 0 HD22 LEU A 35 -1.261 -5.488 -5.730 1.00 49.73 H new ATOM 0 HD23 LEU A 35 -1.386 -5.687 -3.966 1.00 49.73 H new ATOM 545 N SER A 36 3.438 -4.398 -2.883 1.00 49.53 N ATOM 546 CA SER A 36 4.874 -4.648 -2.917 1.00 50.07 C ATOM 547 C SER A 36 5.232 -5.913 -2.147 1.00 50.51 C ATOM 548 O SER A 36 6.401 -6.290 -2.061 1.00 49.49 O ATOM 549 CB SER A 36 5.624 -3.457 -2.355 1.00 50.05 C ATOM 550 OG SER A 36 7.008 -3.675 -2.319 1.00 49.34 O ATOM 0 H SER A 36 3.168 -3.563 -2.363 1.00 49.53 H new ATOM 0 HA SER A 36 5.169 -4.795 -3.956 1.00 50.07 H new ATOM 0 HB2 SER A 36 5.412 -2.576 -2.961 1.00 50.05 H new ATOM 0 HB3 SER A 36 5.264 -3.245 -1.348 1.00 50.05 H new ATOM 0 HG SER A 36 7.189 -4.636 -2.380 1.00 49.34 H new TER 556 SER A 36