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 164:sc= 1.04 USER MOD Set 1.2: A 28 SER OG : rot -17:sc= 0.926 USER MOD Set 2.1: A 18 ASN : amide:sc= 1.56 K(o=2.3,f=-1.9!) USER MOD Set 2.2: A 24 THR OG1 : rot -47:sc= 0.728 USER MOD Single : A 1 SER N :NH3+ -119:sc= 0.103 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 3 HIS : no HE2:sc= 0.485 K(o=0.48,f=-6.1!) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 10 ASN : amide:sc= -0.01 K(o=-0.01,f=-1.2) USER MOD Single : A 14 HIS : no HD1:sc= -0.351 K(o=-0.35,f=-5!) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0.925 (180deg=0.915) USER MOD Single : A 21 THR OG1 : rot -85:sc= 1.09 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -13:sc= 0.798 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.477 13.684 9.256 1.00 49.53 N ATOM 2 CA SER A 1 9.056 13.657 8.934 1.00 50.07 C ATOM 3 C SER A 1 8.557 12.228 8.760 1.00 50.51 C ATOM 4 O SER A 1 9.318 11.272 8.909 1.00 49.49 O ATOM 5 CB SER A 1 8.789 14.465 7.679 1.00 50.05 C ATOM 6 OG SER A 1 9.317 13.852 6.535 1.00 49.34 O ATOM 0 H1 SER A 1 10.614 14.129 10.186 1.00 49.53 H new ATOM 0 H2 SER A 1 10.846 12.712 9.280 1.00 49.53 H new ATOM 0 H3 SER A 1 10.987 14.230 8.532 1.00 49.53 H new ATOM 0 HA SER A 1 8.512 14.103 9.766 1.00 50.07 H new ATOM 0 HB2 SER A 1 7.714 14.597 7.555 1.00 50.05 H new ATOM 0 HB3 SER A 1 9.222 15.459 7.790 1.00 50.05 H new ATOM 0 HG SER A 1 9.122 14.403 5.749 1.00 49.34 H new ATOM 12 N GLN A 2 7.274 12.088 8.443 1.00 49.53 N ATOM 13 CA GLN A 2 6.668 10.774 8.261 1.00 50.07 C ATOM 14 C GLN A 2 7.212 10.084 7.017 1.00 50.51 C ATOM 15 O GLN A 2 7.330 10.698 5.956 1.00 49.49 O ATOM 16 CB GLN A 2 5.145 10.897 8.160 1.00 49.82 C ATOM 17 CG GLN A 2 4.420 9.566 8.056 1.00 49.82 C ATOM 18 CD GLN A 2 2.912 9.723 8.098 1.00 50.55 C ATOM 19 OE1 GLN A 2 2.394 10.834 8.247 1.00 49.45 O ATOM 20 NE2 GLN A 2 2.197 8.611 7.971 1.00 49.38 N ATOM 0 H GLN A 2 6.633 12.870 8.307 1.00 49.53 H new ATOM 0 HA GLN A 2 6.923 10.168 9.131 1.00 50.07 H new ATOM 0 HB2 GLN A 2 4.776 11.432 9.035 1.00 49.82 H new ATOM 0 HB3 GLN A 2 4.897 11.502 7.288 1.00 49.82 H new ATOM 0 HG2 GLN A 2 4.705 9.072 7.127 1.00 49.82 H new ATOM 0 HG3 GLN A 2 4.738 8.918 8.873 1.00 49.82 H new ATOM 0 HE21 GLN A 2 2.667 7.714 7.850 1.00 49.38 H new ATOM 0 HE22 GLN A 2 1.178 8.654 7.995 1.00 49.38 H new ATOM 29 N HIS A 3 7.543 8.805 7.154 1.00 49.53 N ATOM 30 CA HIS A 3 8.054 8.022 6.034 1.00 50.07 C ATOM 31 C HIS A 3 6.964 7.760 5.003 1.00 50.51 C ATOM 32 O HIS A 3 5.785 8.005 5.256 1.00 49.49 O ATOM 33 CB HIS A 3 8.642 6.696 6.525 1.00 49.92 C ATOM 34 CG HIS A 3 7.645 5.812 7.209 1.00 50.22 C ATOM 35 ND1 HIS A 3 6.726 5.052 6.515 1.00 49.30 N ATOM 36 CD2 HIS A 3 7.421 5.568 8.521 1.00 49.95 C ATOM 37 CE1 HIS A 3 5.981 4.378 7.374 1.00 50.25 C ATOM 38 NE2 HIS A 3 6.383 4.673 8.596 1.00 49.64 N ATOM 0 H HIS A 3 7.467 8.288 8.030 1.00 49.53 H new ATOM 0 HA HIS A 3 8.844 8.603 5.558 1.00 50.07 H new ATOM 0 HB2 HIS A 3 9.067 6.161 5.676 1.00 49.92 H new ATOM 0 HB3 HIS A 3 9.462 6.905 7.213 1.00 49.92 H new ATOM 0 HD1 HIS A 3 6.636 5.016 5.500 1.00 49.30 H new ATOM 0 HD2 HIS A 3 7.959 5.997 9.354 1.00 49.95 H new ATOM 0 HE1 HIS A 3 5.179 3.701 7.119 1.00 50.25 H new ATOM 46 N GLY A 4 7.365 7.258 3.840 1.00 49.53 N ATOM 47 CA GLY A 4 6.432 7.017 2.746 1.00 49.98 C ATOM 48 C GLY A 4 5.838 5.616 2.828 1.00 50.51 C ATOM 49 O GLY A 4 6.119 4.866 3.763 1.00 49.49 O ATOM 0 H GLY A 4 8.332 7.010 3.631 1.00 49.53 H new ATOM 0 HA2 GLY A 4 5.632 7.757 2.777 1.00 49.98 H new ATOM 0 HA3 GLY A 4 6.945 7.142 1.792 1.00 49.98 H new ATOM 53 N ARG A 5 5.016 5.269 1.845 1.00 49.53 N ATOM 54 CA ARG A 5 4.356 3.969 1.818 1.00 50.07 C ATOM 55 C ARG A 5 5.351 2.853 1.529 1.00 50.51 C ATOM 56 O ARG A 5 6.497 3.110 1.163 1.00 49.49 O ATOM 57 CB ARG A 5 3.185 3.938 0.847 1.00 49.82 C ATOM 58 CG ARG A 5 2.011 4.823 1.234 1.00 49.82 C ATOM 59 CD ARG A 5 0.922 4.870 0.225 1.00 50.20 C ATOM 60 NE ARG A 5 1.310 5.447 -1.052 1.00 49.30 N ATOM 61 CZ ARG A 5 0.483 5.599 -2.106 1.00 50.64 C ATOM 62 NH1 ARG A 5 -0.763 5.186 -2.054 1.00 49.20 N1+ ATOM 63 NH2 ARG A 5 0.967 6.153 -3.204 1.00 49.20 N ATOM 0 H ARG A 5 4.790 5.872 1.054 1.00 49.53 H new ATOM 0 HA ARG A 5 3.943 3.799 2.812 1.00 50.07 H new ATOM 0 HB2 ARG A 5 3.540 4.240 -0.138 1.00 49.82 H new ATOM 0 HB3 ARG A 5 2.833 2.910 0.757 1.00 49.82 H new ATOM 0 HG2 ARG A 5 1.600 4.468 2.179 1.00 49.82 H new ATOM 0 HG3 ARG A 5 2.376 5.836 1.405 1.00 49.82 H new ATOM 0 HD2 ARG A 5 0.556 3.857 0.056 1.00 50.20 H new ATOM 0 HD3 ARG A 5 0.091 5.445 0.632 1.00 50.20 H new ATOM 0 HE ARG A 5 2.275 5.759 -1.158 1.00 49.30 H new ATOM 0 HH11 ARG A 5 -1.118 4.742 -1.207 1.00 49.20 H new ATOM 0 HH12 ARG A 5 -1.375 5.309 -2.861 1.00 49.20 H new ATOM 0 HH21 ARG A 5 1.942 6.452 -3.237 1.00 49.20 H new ATOM 0 HH22 ARG A 5 0.366 6.281 -4.018 1.00 49.20 H new ATOM 77 N THR A 6 4.905 1.612 1.695 1.00 49.53 N ATOM 78 CA THR A 6 5.751 0.453 1.437 1.00 50.07 C ATOM 79 C THR A 6 6.122 0.359 -0.038 1.00 50.51 C ATOM 80 O THR A 6 7.223 -0.068 -0.384 1.00 49.49 O ATOM 81 CB THR A 6 5.063 -0.855 1.866 1.00 50.14 C ATOM 82 OG1 THR A 6 4.802 -0.821 3.275 1.00 49.34 O ATOM 83 CG2 THR A 6 5.945 -2.052 1.547 1.00 49.73 C ATOM 0 H THR A 6 3.961 1.383 2.007 1.00 49.53 H new ATOM 0 HA THR A 6 6.656 0.588 2.029 1.00 50.07 H new ATOM 0 HB THR A 6 4.126 -0.951 1.318 1.00 50.14 H new ATOM 0 HG1 THR A 6 4.149 -1.515 3.503 1.00 49.34 H new ATOM 0 HG21 THR A 6 5.442 -2.968 1.857 1.00 49.73 H new ATOM 0 HG22 THR A 6 6.135 -2.088 0.474 1.00 49.73 H new ATOM 0 HG23 THR A 6 6.891 -1.959 2.080 1.00 49.73 H new ATOM 91 N GLN A 7 5.197 0.761 -0.902 1.00 49.53 N ATOM 92 CA GLN A 7 5.431 0.736 -2.341 1.00 50.07 C ATOM 93 C GLN A 7 6.249 1.940 -2.787 1.00 50.51 C ATOM 94 O GLN A 7 7.101 1.832 -3.670 1.00 49.49 O ATOM 95 CB GLN A 7 4.102 0.704 -3.100 1.00 49.82 C ATOM 96 CG GLN A 7 3.324 -0.592 -2.940 1.00 49.82 C ATOM 97 CD GLN A 7 1.999 -0.566 -3.677 1.00 50.55 C ATOM 98 OE1 GLN A 7 1.612 0.455 -4.253 1.00 49.45 O ATOM 99 NE2 GLN A 7 1.291 -1.690 -3.659 1.00 49.38 N ATOM 0 H GLN A 7 4.277 1.108 -0.631 1.00 49.53 H new ATOM 0 HA GLN A 7 5.995 -0.168 -2.569 1.00 50.07 H new ATOM 0 HB2 GLN A 7 3.481 1.532 -2.758 1.00 49.82 H new ATOM 0 HB3 GLN A 7 4.298 0.869 -4.160 1.00 49.82 H new ATOM 0 HG2 GLN A 7 3.926 -1.422 -3.310 1.00 49.82 H new ATOM 0 HG3 GLN A 7 3.144 -0.776 -1.881 1.00 49.82 H new ATOM 0 HE21 GLN A 7 1.649 -2.511 -3.170 1.00 49.38 H new ATOM 0 HE22 GLN A 7 0.389 -1.732 -4.134 1.00 49.38 H new ATOM 108 N ASP A 8 5.984 3.089 -2.174 1.00 49.53 N ATOM 109 CA ASP A 8 6.650 4.330 -2.550 1.00 50.07 C ATOM 110 C ASP A 8 8.063 4.391 -1.984 1.00 50.51 C ATOM 111 O ASP A 8 8.973 4.927 -2.617 1.00 49.49 O ATOM 112 CB ASP A 8 5.841 5.539 -2.075 1.00 49.72 C ATOM 113 CG ASP A 8 4.569 5.797 -2.871 1.00 50.62 C ATOM 114 OD1 ASP A 8 4.421 5.219 -3.921 1.00 49.24 O ATOM 115 OD2 ASP A 8 3.689 6.443 -2.353 1.00 49.24 O1- ATOM 0 H ASP A 8 5.311 3.186 -1.413 1.00 49.53 H new ATOM 0 HA ASP A 8 6.717 4.355 -3.638 1.00 50.07 H new ATOM 0 HB2 ASP A 8 5.577 5.395 -1.027 1.00 49.72 H new ATOM 0 HB3 ASP A 8 6.473 6.426 -2.125 1.00 49.72 H new ATOM 120 N GLU A 9 8.240 3.838 -0.790 1.00 49.53 N ATOM 121 CA GLU A 9 9.535 3.861 -0.118 1.00 50.07 C ATOM 122 C GLU A 9 10.047 2.450 0.138 1.00 50.51 C ATOM 123 O GLU A 9 9.329 1.606 0.673 1.00 49.49 O ATOM 124 CB GLU A 9 9.443 4.635 1.198 1.00 49.82 C ATOM 125 CG GLU A 9 10.761 4.760 1.948 1.00 49.72 C ATOM 126 CD GLU A 9 10.587 5.515 3.237 1.00 50.62 C ATOM 127 OE1 GLU A 9 10.124 6.629 3.193 1.00 49.24 O ATOM 128 OE2 GLU A 9 10.810 4.937 4.274 1.00 49.24 O1- ATOM 0 H GLU A 9 7.502 3.367 -0.266 1.00 49.53 H new ATOM 0 HA GLU A 9 10.243 4.366 -0.775 1.00 50.07 H new ATOM 0 HB2 GLU A 9 9.060 5.635 0.991 1.00 49.82 H new ATOM 0 HB3 GLU A 9 8.716 4.143 1.845 1.00 49.82 H new ATOM 0 HG2 GLU A 9 11.159 3.767 2.157 1.00 49.72 H new ATOM 0 HG3 GLU A 9 11.492 5.271 1.321 1.00 49.72 H new ATOM 135 N ASN A 10 11.294 2.200 -0.246 1.00 49.53 N ATOM 136 CA ASN A 10 11.906 0.889 -0.060 1.00 50.07 C ATOM 137 C ASN A 10 12.054 0.555 1.419 1.00 50.51 C ATOM 138 O ASN A 10 12.388 1.419 2.229 1.00 49.49 O ATOM 139 CB ASN A 10 13.252 0.801 -0.755 1.00 49.82 C ATOM 140 CG ASN A 10 13.159 0.783 -2.255 1.00 50.55 C ATOM 141 OD1 ASN A 10 12.132 0.405 -2.829 1.00 49.45 O ATOM 142 ND2 ASN A 10 14.253 1.113 -2.893 1.00 49.38 N ATOM 0 H ASN A 10 11.902 2.889 -0.689 1.00 49.53 H new ATOM 0 HA ASN A 10 11.240 0.156 -0.515 1.00 50.07 H new ATOM 0 HB2 ASN A 10 13.865 1.648 -0.448 1.00 49.82 H new ATOM 0 HB3 ASN A 10 13.765 -0.101 -0.421 1.00 49.82 H new ATOM 0 HD21 ASN A 10 14.284 1.064 -3.911 1.00 49.38 H new ATOM 0 HD22 ASN A 10 15.075 1.419 -2.372 1.00 49.38 H new ATOM 149 N PRO A 11 11.802 -0.703 1.764 1.00 49.71 N ATOM 150 CA PRO A 11 11.940 -1.162 3.141 1.00 50.02 C ATOM 151 C PRO A 11 13.310 -0.806 3.705 1.00 50.51 C ATOM 152 O PRO A 11 13.438 -0.470 4.883 1.00 49.49 O ATOM 153 CB PRO A 11 11.727 -2.682 3.054 1.00 49.82 C ATOM 154 CG PRO A 11 10.853 -2.883 1.846 1.00 49.82 C ATOM 155 CD PRO A 11 11.604 -1.815 0.825 1.00 50.00 C ATOM 0 HA PRO A 11 11.227 -0.690 3.817 1.00 50.02 H new ATOM 0 HB2 PRO A 11 12.676 -3.208 2.947 1.00 49.82 H new ATOM 0 HB3 PRO A 11 11.249 -3.066 3.955 1.00 49.82 H new ATOM 0 HG2 PRO A 11 10.871 -3.908 1.475 1.00 49.82 H new ATOM 0 HG3 PRO A 11 9.809 -2.630 2.031 1.00 49.82 H new ATOM 0 HD2 PRO A 11 12.542 -2.202 0.426 1.00 50.00 H new ATOM 0 HD3 PRO A 11 10.984 -1.541 -0.028 1.00 50.00 H new ATOM 163 N VAL A 12 14.330 -0.882 2.860 1.00 49.53 N ATOM 164 CA VAL A 12 15.688 -0.536 3.263 1.00 50.07 C ATOM 165 C VAL A 12 15.783 0.928 3.675 1.00 50.51 C ATOM 166 O VAL A 12 16.465 1.267 4.642 1.00 49.49 O ATOM 167 CB VAL A 12 16.701 -0.808 2.135 1.00 49.91 C ATOM 168 CG1 VAL A 12 18.071 -0.261 2.506 1.00 49.73 C ATOM 169 CG2 VAL A 12 16.785 -2.299 1.843 1.00 49.73 C ATOM 0 H VAL A 12 14.243 -1.181 1.889 1.00 49.53 H new ATOM 0 HA VAL A 12 15.932 -1.168 4.117 1.00 50.07 H new ATOM 0 HB VAL A 12 16.359 -0.299 1.234 1.00 49.91 H new ATOM 0 HG11 VAL A 12 18.774 -0.462 1.698 1.00 49.73 H new ATOM 0 HG12 VAL A 12 18.002 0.815 2.668 1.00 49.73 H new ATOM 0 HG13 VAL A 12 18.420 -0.743 3.419 1.00 49.73 H new ATOM 0 HG21 VAL A 12 17.505 -2.473 1.044 1.00 49.73 H new ATOM 0 HG22 VAL A 12 17.104 -2.828 2.741 1.00 49.73 H new ATOM 0 HG23 VAL A 12 15.806 -2.665 1.535 1.00 49.73 H new ATOM 179 N VAL A 13 15.096 1.791 2.936 1.00 49.53 N ATOM 180 CA VAL A 13 15.065 3.214 3.250 1.00 50.07 C ATOM 181 C VAL A 13 14.310 3.474 4.548 1.00 50.51 C ATOM 182 O VAL A 13 14.726 4.297 5.364 1.00 49.49 O ATOM 183 CB VAL A 13 14.413 4.029 2.118 1.00 49.91 C ATOM 184 CG1 VAL A 13 14.233 5.480 2.540 1.00 49.73 C ATOM 185 CG2 VAL A 13 15.252 3.946 0.851 1.00 49.73 C ATOM 0 H VAL A 13 14.552 1.529 2.114 1.00 49.53 H new ATOM 0 HA VAL A 13 16.101 3.533 3.364 1.00 50.07 H new ATOM 0 HB VAL A 13 13.430 3.605 1.912 1.00 49.91 H new ATOM 0 HG11 VAL A 13 13.771 6.041 1.727 1.00 49.73 H new ATOM 0 HG12 VAL A 13 13.594 5.526 3.422 1.00 49.73 H new ATOM 0 HG13 VAL A 13 15.205 5.914 2.773 1.00 49.73 H new ATOM 0 HG21 VAL A 13 14.777 4.528 0.061 1.00 49.73 H new ATOM 0 HG22 VAL A 13 16.247 4.345 1.047 1.00 49.73 H new ATOM 0 HG23 VAL A 13 15.334 2.906 0.536 1.00 49.73 H new ATOM 195 N HIS A 14 13.200 2.770 4.732 1.00 49.53 N ATOM 196 CA HIS A 14 12.466 2.810 5.992 1.00 50.07 C ATOM 197 C HIS A 14 13.369 2.455 7.166 1.00 50.51 C ATOM 198 O HIS A 14 13.351 3.125 8.200 1.00 49.49 O ATOM 199 CB HIS A 14 11.265 1.861 5.950 1.00 49.92 C ATOM 200 CG HIS A 14 10.513 1.785 7.242 1.00 50.22 C ATOM 201 ND1 HIS A 14 10.848 0.902 8.247 1.00 49.30 N ATOM 202 CD2 HIS A 14 9.442 2.480 7.694 1.00 49.95 C ATOM 203 CE1 HIS A 14 10.016 1.059 9.262 1.00 50.25 C ATOM 204 NE2 HIS A 14 9.154 2.009 8.951 1.00 49.64 N ATOM 0 H HIS A 14 12.787 2.163 4.024 1.00 49.53 H new ATOM 0 HA HIS A 14 12.105 3.829 6.131 1.00 50.07 H new ATOM 0 HB2 HIS A 14 10.585 2.185 5.162 1.00 49.92 H new ATOM 0 HB3 HIS A 14 11.611 0.863 5.682 1.00 49.92 H new ATOM 0 HD2 HIS A 14 8.913 3.259 7.165 1.00 49.95 H new ATOM 0 HE1 HIS A 14 10.038 0.504 10.188 1.00 50.25 H new ATOM 0 HE2 HIS A 14 8.396 2.340 9.548 1.00 49.64 H new ATOM 212 N PHE A 15 14.158 1.399 7.002 1.00 49.53 N ATOM 213 CA PHE A 15 15.075 0.957 8.046 1.00 50.07 C ATOM 214 C PHE A 15 16.121 2.022 8.348 1.00 50.51 C ATOM 215 O PHE A 15 16.399 2.321 9.509 1.00 49.49 O ATOM 216 CB PHE A 15 15.757 -0.350 7.640 1.00 49.82 C ATOM 217 CG PHE A 15 14.801 -1.484 7.402 1.00 50.00 C ATOM 218 CD1 PHE A 15 13.521 -1.456 7.936 1.00 49.88 C ATOM 219 CD2 PHE A 15 15.179 -2.582 6.645 1.00 49.88 C ATOM 220 CE1 PHE A 15 12.641 -2.498 7.718 1.00 49.88 C ATOM 221 CE2 PHE A 15 14.302 -3.626 6.424 1.00 49.88 C ATOM 222 CZ PHE A 15 13.031 -3.583 6.962 1.00 49.88 C ATOM 0 H PHE A 15 14.181 0.832 6.154 1.00 49.53 H new ATOM 0 HA PHE A 15 14.492 0.786 8.951 1.00 50.07 H new ATOM 0 HB2 PHE A 15 16.337 -0.180 6.733 1.00 49.82 H new ATOM 0 HB3 PHE A 15 16.462 -0.639 8.420 1.00 49.82 H new ATOM 0 HD1 PHE A 15 13.209 -0.609 8.529 1.00 49.88 H new ATOM 0 HD2 PHE A 15 16.172 -2.622 6.223 1.00 49.88 H new ATOM 0 HE1 PHE A 15 11.647 -2.463 8.140 1.00 49.88 H new ATOM 0 HE2 PHE A 15 14.610 -4.475 5.831 1.00 49.88 H new ATOM 0 HZ PHE A 15 12.343 -4.398 6.791 1.00 49.88 H new ATOM 232 N PHE A 16 16.697 2.594 7.296 1.00 49.53 N ATOM 233 CA PHE A 16 17.663 3.675 7.445 1.00 50.07 C ATOM 234 C PHE A 16 17.084 4.823 8.261 1.00 50.51 C ATOM 235 O PHE A 16 17.704 5.295 9.213 1.00 49.49 O ATOM 236 CB PHE A 16 18.115 4.180 6.073 1.00 49.82 C ATOM 237 CG PHE A 16 19.038 5.364 6.138 1.00 50.00 C ATOM 238 CD1 PHE A 16 20.387 5.197 6.409 1.00 49.88 C ATOM 239 CD2 PHE A 16 18.557 6.648 5.927 1.00 49.88 C ATOM 240 CE1 PHE A 16 21.236 6.287 6.469 1.00 49.88 C ATOM 241 CE2 PHE A 16 19.403 7.738 5.984 1.00 49.88 C ATOM 242 CZ PHE A 16 20.744 7.558 6.256 1.00 49.88 C ATOM 0 H PHE A 16 16.511 2.326 6.330 1.00 49.53 H new ATOM 0 HA PHE A 16 18.527 3.280 7.980 1.00 50.07 H new ATOM 0 HB2 PHE A 16 18.616 3.369 5.544 1.00 49.82 H new ATOM 0 HB3 PHE A 16 17.236 4.448 5.487 1.00 49.82 H new ATOM 0 HD1 PHE A 16 20.779 4.205 6.575 1.00 49.88 H new ATOM 0 HD2 PHE A 16 17.508 6.797 5.716 1.00 49.88 H new ATOM 0 HE1 PHE A 16 22.285 6.143 6.683 1.00 49.88 H new ATOM 0 HE2 PHE A 16 19.015 8.732 5.816 1.00 49.88 H new ATOM 0 HZ PHE A 16 21.406 8.410 6.302 1.00 49.88 H new ATOM 252 N LYS A 17 15.892 5.269 7.882 1.00 49.53 N ATOM 253 CA LYS A 17 15.233 6.375 8.567 1.00 50.07 C ATOM 254 C LYS A 17 14.951 6.030 10.024 1.00 50.51 C ATOM 255 O LYS A 17 15.105 6.868 10.911 1.00 49.49 O ATOM 256 CB LYS A 17 13.932 6.749 7.854 1.00 49.82 C ATOM 257 CG LYS A 17 14.128 7.446 6.514 1.00 49.82 C ATOM 258 CD LYS A 17 12.794 7.816 5.882 1.00 49.82 C ATOM 259 CE LYS A 17 12.990 8.575 4.578 1.00 50.21 C ATOM 260 NZ LYS A 17 11.692 8.955 3.956 1.00 49.70 N1+ ATOM 0 H LYS A 17 15.361 4.881 7.102 1.00 49.53 H new ATOM 0 HA LYS A 17 15.908 7.231 8.543 1.00 50.07 H new ATOM 0 HB2 LYS A 17 13.345 5.844 7.697 1.00 49.82 H new ATOM 0 HB3 LYS A 17 13.348 7.399 8.506 1.00 49.82 H new ATOM 0 HG2 LYS A 17 14.728 8.345 6.654 1.00 49.82 H new ATOM 0 HG3 LYS A 17 14.683 6.794 5.840 1.00 49.82 H new ATOM 0 HD2 LYS A 17 12.215 6.912 5.695 1.00 49.82 H new ATOM 0 HD3 LYS A 17 12.217 8.426 6.577 1.00 49.82 H new ATOM 0 HE2 LYS A 17 13.579 9.473 4.766 1.00 50.21 H new ATOM 0 HE3 LYS A 17 13.560 7.959 3.882 1.00 50.21 H new ATOM 0 HZ1 LYS A 17 11.869 9.514 3.097 1.00 49.70 H new ATOM 0 HZ2 LYS A 17 11.162 8.096 3.707 1.00 49.70 H new ATOM 0 HZ3 LYS A 17 11.137 9.521 4.629 1.00 49.70 H new ATOM 274 N ASN A 18 14.537 4.791 10.263 1.00 49.53 N ATOM 275 CA ASN A 18 14.226 4.334 11.613 1.00 50.07 C ATOM 276 C ASN A 18 15.466 4.347 12.497 1.00 50.51 C ATOM 277 O ASN A 18 15.370 4.507 13.715 1.00 49.49 O ATOM 278 CB ASN A 18 13.605 2.949 11.601 1.00 49.82 C ATOM 279 CG ASN A 18 13.039 2.529 12.930 1.00 50.55 C ATOM 280 OD1 ASN A 18 12.085 3.130 13.438 1.00 49.45 O ATOM 281 ND2 ASN A 18 13.672 1.553 13.530 1.00 49.38 N ATOM 0 H ASN A 18 14.409 4.084 9.539 1.00 49.53 H new ATOM 0 HA ASN A 18 13.497 5.030 12.029 1.00 50.07 H new ATOM 0 HB2 ASN A 18 12.812 2.922 10.854 1.00 49.82 H new ATOM 0 HB3 ASN A 18 14.359 2.225 11.292 1.00 49.82 H new ATOM 0 HD21 ASN A 18 13.384 1.255 14.462 1.00 49.38 H new ATOM 0 HD22 ASN A 18 14.453 1.090 13.066 1.00 49.38 H new ATOM 288 N ILE A 19 16.630 4.178 11.879 1.00 49.53 N ATOM 289 CA ILE A 19 17.893 4.183 12.608 1.00 50.07 C ATOM 290 C ILE A 19 18.332 5.603 12.940 1.00 50.51 C ATOM 291 O ILE A 19 18.712 5.897 14.073 1.00 49.49 O ATOM 292 CB ILE A 19 19.009 3.483 11.810 1.00 49.91 C ATOM 293 CG1 ILE A 19 18.713 1.987 11.679 1.00 49.82 C ATOM 294 CG2 ILE A 19 20.358 3.707 12.475 1.00 49.73 C ATOM 295 CD1 ILE A 19 19.592 1.277 10.675 1.00 49.73 C ATOM 0 H ILE A 19 16.725 4.036 10.873 1.00 49.53 H new ATOM 0 HA ILE A 19 17.723 3.634 13.534 1.00 50.07 H new ATOM 0 HB ILE A 19 19.044 3.915 10.810 1.00 49.91 H new ATOM 0 HG12 ILE A 19 18.836 1.515 12.654 1.00 49.82 H new ATOM 0 HG13 ILE A 19 17.670 1.856 11.391 1.00 49.82 H new ATOM 0 HG21 ILE A 19 21.136 3.206 11.899 1.00 49.73 H new ATOM 0 HG22 ILE A 19 20.570 4.775 12.518 1.00 49.73 H new ATOM 0 HG23 ILE A 19 20.337 3.301 13.486 1.00 49.73 H new ATOM 0 HD11 ILE A 19 19.323 0.221 10.638 1.00 49.73 H new ATOM 0 HD12 ILE A 19 19.452 1.722 9.690 1.00 49.73 H new ATOM 0 HD13 ILE A 19 20.636 1.375 10.972 1.00 49.73 H new ATOM 307 N VAL A 20 18.278 6.482 11.944 1.00 49.53 N ATOM 308 CA VAL A 20 18.891 7.800 12.051 1.00 50.07 C ATOM 309 C VAL A 20 17.909 8.821 12.613 1.00 50.51 C ATOM 310 O VAL A 20 18.297 9.926 12.992 1.00 49.49 O ATOM 311 CB VAL A 20 19.408 8.295 10.688 1.00 49.91 C ATOM 312 CG1 VAL A 20 20.400 7.303 10.101 1.00 49.73 C ATOM 313 CG2 VAL A 20 18.248 8.518 9.727 1.00 49.73 C ATOM 0 H VAL A 20 17.815 6.304 11.053 1.00 49.53 H new ATOM 0 HA VAL A 20 19.735 7.699 12.734 1.00 50.07 H new ATOM 0 HB VAL A 20 19.920 9.246 10.839 1.00 49.91 H new ATOM 0 HG11 VAL A 20 20.755 7.670 9.138 1.00 49.73 H new ATOM 0 HG12 VAL A 20 21.245 7.189 10.779 1.00 49.73 H new ATOM 0 HG13 VAL A 20 19.912 6.338 9.964 1.00 49.73 H new ATOM 0 HG21 VAL A 20 18.632 8.868 8.769 1.00 49.73 H new ATOM 0 HG22 VAL A 20 17.710 7.581 9.582 1.00 49.73 H new ATOM 0 HG23 VAL A 20 17.571 9.265 10.141 1.00 49.73 H new ATOM 323 N THR A 21 16.637 8.443 12.665 1.00 49.53 N ATOM 324 CA THR A 21 15.622 9.257 13.324 1.00 50.07 C ATOM 325 C THR A 21 15.025 8.529 14.522 1.00 50.51 C ATOM 326 O THR A 21 15.207 7.322 14.680 1.00 49.49 O ATOM 327 CB THR A 21 14.489 9.644 12.355 1.00 50.14 C ATOM 328 OG1 THR A 21 13.661 8.501 12.104 1.00 49.34 O ATOM 329 CG2 THR A 21 15.062 10.147 11.039 1.00 49.73 C ATOM 0 H THR A 21 16.283 7.577 12.258 1.00 49.53 H new ATOM 0 HA THR A 21 16.121 10.164 13.665 1.00 50.07 H new ATOM 0 HB THR A 21 13.897 10.438 12.810 1.00 50.14 H new ATOM 0 HG1 THR A 21 14.050 7.968 11.379 1.00 49.34 H new ATOM 0 HG21 THR A 21 14.247 10.416 10.367 1.00 49.73 H new ATOM 0 HG22 THR A 21 15.684 11.023 11.224 1.00 49.73 H new ATOM 0 HG23 THR A 21 15.666 9.363 10.582 1.00 49.73 H new ATOM 337 N PRO A 22 14.312 9.271 15.363 1.00 49.71 N ATOM 338 CA PRO A 22 13.543 8.674 16.448 1.00 50.02 C ATOM 339 C PRO A 22 12.637 7.563 15.934 1.00 50.51 C ATOM 340 O PRO A 22 12.295 7.524 14.751 1.00 49.49 O ATOM 341 CB PRO A 22 12.743 9.849 17.033 1.00 49.82 C ATOM 342 CG PRO A 22 13.538 11.075 16.676 1.00 49.82 C ATOM 343 CD PRO A 22 13.995 10.693 15.176 1.00 50.00 C ATOM 0 HA PRO A 22 14.173 8.198 17.199 1.00 50.02 H new ATOM 0 HB2 PRO A 22 11.739 9.892 16.611 1.00 49.82 H new ATOM 0 HB3 PRO A 22 12.631 9.752 18.113 1.00 49.82 H new ATOM 0 HG2 PRO A 22 12.938 11.984 16.709 1.00 49.82 H new ATOM 0 HG3 PRO A 22 14.386 11.229 17.343 1.00 49.82 H new ATOM 0 HD2 PRO A 22 13.202 10.851 14.445 1.00 50.00 H new ATOM 0 HD3 PRO A 22 14.856 11.272 14.842 1.00 50.00 H new ATOM 351 N ARG A 23 12.248 6.661 16.829 1.00 49.53 N ATOM 352 CA ARG A 23 11.522 5.459 16.439 1.00 50.07 C ATOM 353 C ARG A 23 10.341 5.796 15.539 1.00 50.51 C ATOM 354 O ARG A 23 9.438 6.536 15.933 1.00 49.49 O ATOM 355 CB ARG A 23 11.087 4.636 17.642 1.00 49.82 C ATOM 356 CG ARG A 23 12.221 3.967 18.404 1.00 49.82 C ATOM 357 CD ARG A 23 11.784 3.176 19.582 1.00 50.20 C ATOM 358 NE ARG A 23 11.290 3.974 20.694 1.00 49.30 N ATOM 359 CZ ARG A 23 10.736 3.467 21.812 1.00 50.64 C ATOM 360 NH1 ARG A 23 10.569 2.171 21.958 1.00 49.20 N1+ ATOM 361 NH2 ARG A 23 10.342 4.310 22.751 1.00 49.20 N ATOM 0 H ARG A 23 12.424 6.740 17.831 1.00 49.53 H new ATOM 0 HA ARG A 23 12.213 4.840 15.866 1.00 50.07 H new ATOM 0 HB2 ARG A 23 10.540 5.283 18.328 1.00 49.82 H new ATOM 0 HB3 ARG A 23 10.391 3.867 17.306 1.00 49.82 H new ATOM 0 HG2 ARG A 23 12.764 3.312 17.723 1.00 49.82 H new ATOM 0 HG3 ARG A 23 12.922 4.733 18.736 1.00 49.82 H new ATOM 0 HD2 ARG A 23 11.000 2.486 19.270 1.00 50.20 H new ATOM 0 HD3 ARG A 23 12.622 2.571 19.929 1.00 50.20 H new ATOM 0 HE ARG A 23 11.369 4.988 20.622 1.00 49.30 H new ATOM 0 HH11 ARG A 23 10.861 1.533 21.218 1.00 49.20 H new ATOM 0 HH12 ARG A 23 10.148 1.804 22.811 1.00 49.20 H new ATOM 0 HH21 ARG A 23 10.461 5.314 22.617 1.00 49.20 H new ATOM 0 HH22 ARG A 23 9.919 3.956 23.609 1.00 49.20 H new ATOM 375 N THR A 24 10.351 5.251 14.327 1.00 49.53 N ATOM 376 CA THR A 24 9.301 5.524 13.354 1.00 50.07 C ATOM 377 C THR A 24 8.252 4.420 13.349 1.00 50.51 C ATOM 378 O THR A 24 8.523 3.291 13.759 1.00 49.49 O ATOM 379 CB THR A 24 9.874 5.680 11.933 1.00 50.14 C ATOM 380 OG1 THR A 24 10.444 4.436 11.506 1.00 49.34 O ATOM 381 CG2 THR A 24 10.944 6.760 11.904 1.00 49.73 C ATOM 0 H THR A 24 11.077 4.616 13.995 1.00 49.53 H new ATOM 0 HA THR A 24 8.834 6.462 13.653 1.00 50.07 H new ATOM 0 HB THR A 24 9.065 5.967 11.261 1.00 50.14 H new ATOM 0 HG1 THR A 24 11.016 4.077 12.216 1.00 49.34 H new ATOM 0 HG21 THR A 24 11.337 6.856 10.892 1.00 49.73 H new ATOM 0 HG22 THR A 24 10.511 7.710 12.216 1.00 49.73 H new ATOM 0 HG23 THR A 24 11.753 6.489 12.583 1.00 49.73 H new ATOM 389 N PRO A 25 7.054 4.751 12.882 1.00 49.71 N ATOM 390 CA PRO A 25 5.982 3.770 12.757 1.00 50.02 C ATOM 391 C PRO A 25 6.287 2.758 11.660 1.00 50.51 C ATOM 392 O PRO A 25 7.154 2.987 10.815 1.00 49.49 O ATOM 393 CB PRO A 25 4.736 4.612 12.436 1.00 49.82 C ATOM 394 CG PRO A 25 5.267 5.849 11.764 1.00 49.82 C ATOM 395 CD PRO A 25 6.595 6.115 12.586 1.00 50.00 C ATOM 0 HA PRO A 25 5.848 3.175 13.660 1.00 50.02 H new ATOM 0 HB2 PRO A 25 4.051 4.071 11.783 1.00 49.82 H new ATOM 0 HB3 PRO A 25 4.183 4.861 13.342 1.00 49.82 H new ATOM 0 HG2 PRO A 25 5.467 5.686 10.705 1.00 49.82 H new ATOM 0 HG3 PRO A 25 4.569 6.684 11.832 1.00 49.82 H new ATOM 0 HD2 PRO A 25 7.328 6.675 12.005 1.00 50.00 H new ATOM 0 HD3 PRO A 25 6.404 6.687 13.494 1.00 50.00 H new ATOM 403 N PRO A 26 5.571 1.639 11.678 1.00 49.71 N ATOM 404 CA PRO A 26 5.813 0.559 10.728 1.00 50.02 C ATOM 405 C PRO A 26 5.335 0.937 9.332 1.00 50.51 C ATOM 406 O PRO A 26 4.537 1.859 9.167 1.00 49.49 O ATOM 407 CB PRO A 26 5.030 -0.631 11.306 1.00 49.82 C ATOM 408 CG PRO A 26 3.930 -0.013 12.124 1.00 49.82 C ATOM 409 CD PRO A 26 4.643 1.242 12.745 1.00 50.00 C ATOM 0 HA PRO A 26 6.872 0.329 10.609 1.00 50.02 H new ATOM 0 HB2 PRO A 26 4.626 -1.260 10.513 1.00 49.82 H new ATOM 0 HB3 PRO A 26 5.671 -1.264 11.920 1.00 49.82 H new ATOM 0 HG2 PRO A 26 3.074 0.267 11.510 1.00 49.82 H new ATOM 0 HG3 PRO A 26 3.562 -0.694 12.892 1.00 49.82 H new ATOM 0 HD2 PRO A 26 3.934 2.035 12.983 1.00 50.00 H new ATOM 0 HD3 PRO A 26 5.167 0.996 13.668 1.00 50.00 H new ATOM 417 N PRO A 27 5.827 0.218 8.329 1.00 49.71 N ATOM 418 CA PRO A 27 5.441 0.467 6.945 1.00 50.02 C ATOM 419 C PRO A 27 4.021 -0.014 6.675 1.00 50.51 C ATOM 420 O PRO A 27 3.398 -0.649 7.526 1.00 49.49 O ATOM 421 CB PRO A 27 6.482 -0.306 6.119 1.00 49.82 C ATOM 422 CG PRO A 27 6.908 -1.448 7.002 1.00 49.82 C ATOM 423 CD PRO A 27 6.964 -0.706 8.430 1.00 50.00 C ATOM 0 HA PRO A 27 5.431 1.528 6.694 1.00 50.02 H new ATOM 0 HB2 PRO A 27 6.054 -0.668 5.184 1.00 49.82 H new ATOM 0 HB3 PRO A 27 7.329 0.328 5.858 1.00 49.82 H new ATOM 0 HG2 PRO A 27 6.193 -2.271 6.990 1.00 49.82 H new ATOM 0 HG3 PRO A 27 7.874 -1.860 6.710 1.00 49.82 H new ATOM 0 HD2 PRO A 27 6.852 -1.405 9.259 1.00 50.00 H new ATOM 0 HD3 PRO A 27 7.907 -0.180 8.582 1.00 50.00 H new ATOM 431 N SER A 28 3.515 0.291 5.485 1.00 49.53 N ATOM 432 CA SER A 28 2.133 -0.019 5.139 1.00 50.07 C ATOM 433 C SER A 28 1.968 -1.493 4.795 1.00 50.51 C ATOM 434 O SER A 28 2.950 -2.222 4.653 1.00 49.49 O ATOM 435 CB SER A 28 1.679 0.847 3.980 1.00 50.05 C ATOM 436 OG SER A 28 2.366 0.544 2.796 1.00 49.34 O ATOM 0 H SER A 28 4.042 0.753 4.744 1.00 49.53 H new ATOM 0 HA SER A 28 1.510 0.194 6.008 1.00 50.07 H new ATOM 0 HB2 SER A 28 0.609 0.711 3.823 1.00 50.05 H new ATOM 0 HB3 SER A 28 1.833 1.897 4.230 1.00 50.05 H new ATOM 0 HG SER A 28 3.175 0.034 3.009 1.00 49.34 H new ATOM 442 N GLN A 29 0.720 -1.929 4.666 1.00 49.53 N ATOM 443 CA GLN A 29 0.423 -3.317 4.332 1.00 50.07 C ATOM 444 C GLN A 29 0.902 -3.660 2.928 1.00 50.51 C ATOM 445 O GLN A 29 0.429 -3.092 1.943 1.00 49.49 O ATOM 446 CB GLN A 29 -1.080 -3.588 4.446 1.00 49.82 C ATOM 447 CG GLN A 29 -1.474 -5.031 4.185 1.00 49.82 C ATOM 448 CD GLN A 29 -2.955 -5.274 4.404 1.00 50.55 C ATOM 449 OE1 GLN A 29 -3.710 -4.350 4.717 1.00 49.45 O ATOM 450 NE2 GLN A 29 -3.378 -6.523 4.244 1.00 49.38 N ATOM 0 H GLN A 29 -0.104 -1.340 4.788 1.00 49.53 H new ATOM 0 HA GLN A 29 0.955 -3.949 5.043 1.00 50.07 H new ATOM 0 HB2 GLN A 29 -1.414 -3.307 5.445 1.00 49.82 H new ATOM 0 HB3 GLN A 29 -1.608 -2.946 3.741 1.00 49.82 H new ATOM 0 HG2 GLN A 29 -1.212 -5.297 3.161 1.00 49.82 H new ATOM 0 HG3 GLN A 29 -0.900 -5.686 4.841 1.00 49.82 H new ATOM 0 HE21 GLN A 29 -2.718 -7.256 3.985 1.00 49.38 H new ATOM 0 HE22 GLN A 29 -4.363 -6.749 4.381 1.00 49.38 H new ATOM 459 N GLY A 30 1.843 -4.595 2.840 1.00 49.53 N ATOM 460 CA GLY A 30 2.356 -5.048 1.553 1.00 49.98 C ATOM 461 C GLY A 30 1.476 -6.142 0.963 1.00 50.51 C ATOM 462 O GLY A 30 0.622 -5.876 0.117 1.00 49.49 O ATOM 0 H GLY A 30 2.266 -5.054 3.647 1.00 49.53 H new ATOM 0 HA2 GLY A 30 2.407 -4.206 0.862 1.00 49.98 H new ATOM 0 HA3 GLY A 30 3.373 -5.422 1.675 1.00 49.98 H new ATOM 466 N LYS A 31 1.689 -7.373 1.414 1.00 49.53 N ATOM 467 CA LYS A 31 2.687 -7.652 2.439 1.00 50.07 C ATOM 468 C LYS A 31 4.005 -8.096 1.819 1.00 50.51 C ATOM 469 O LYS A 31 4.022 -8.744 0.773 1.00 49.49 O ATOM 470 CB LYS A 31 2.176 -8.718 3.409 1.00 49.82 C ATOM 471 CG LYS A 31 0.981 -8.285 4.248 1.00 49.82 C ATOM 472 CD LYS A 31 0.506 -9.409 5.158 1.00 49.82 C ATOM 473 CE LYS A 31 -0.693 -8.980 5.990 1.00 50.21 C ATOM 474 NZ LYS A 31 -1.166 -10.069 6.887 1.00 49.70 N1+ ATOM 0 H LYS A 31 1.183 -8.195 1.085 1.00 49.53 H new ATOM 0 HA LYS A 31 2.865 -6.729 2.990 1.00 50.07 H new ATOM 0 HB2 LYS A 31 1.903 -9.607 2.841 1.00 49.82 H new ATOM 0 HB3 LYS A 31 2.989 -9.004 4.077 1.00 49.82 H new ATOM 0 HG2 LYS A 31 1.252 -7.417 4.850 1.00 49.82 H new ATOM 0 HG3 LYS A 31 0.167 -7.977 3.592 1.00 49.82 H new ATOM 0 HD2 LYS A 31 0.241 -10.279 4.557 1.00 49.82 H new ATOM 0 HD3 LYS A 31 1.319 -9.713 5.818 1.00 49.82 H new ATOM 0 HE2 LYS A 31 -0.427 -8.108 6.587 1.00 50.21 H new ATOM 0 HE3 LYS A 31 -1.504 -8.677 5.328 1.00 50.21 H new ATOM 0 HZ1 LYS A 31 -1.984 -9.736 7.436 1.00 49.70 H new ATOM 0 HZ2 LYS A 31 -1.445 -10.893 6.316 1.00 49.70 H new ATOM 0 HZ3 LYS A 31 -0.401 -10.341 7.536 1.00 49.70 H new ATOM 488 N GLY A 32 5.109 -7.744 2.471 1.00 49.53 N ATOM 489 CA GLY A 32 6.434 -8.099 1.980 1.00 49.98 C ATOM 490 C GLY A 32 6.946 -9.371 2.643 1.00 50.51 C ATOM 491 O GLY A 32 6.170 -10.143 3.207 1.00 49.49 O ATOM 0 H GLY A 32 5.111 -7.213 3.342 1.00 49.53 H new ATOM 0 HA2 GLY A 32 6.399 -8.238 0.899 1.00 49.98 H new ATOM 0 HA3 GLY A 32 7.127 -7.281 2.174 1.00 49.98 H new ATOM 495 N ARG A 33 8.256 -9.583 2.572 1.00 49.53 N ATOM 496 CA ARG A 33 8.875 -10.757 3.176 1.00 50.07 C ATOM 497 C ARG A 33 9.002 -10.599 4.686 1.00 50.51 C ATOM 498 O ARG A 33 8.965 -11.580 5.428 1.00 49.49 O ATOM 499 CB ARG A 33 10.214 -11.092 2.537 1.00 49.82 C ATOM 500 CG ARG A 33 10.130 -11.609 1.110 1.00 49.82 C ATOM 501 CD ARG A 33 11.446 -11.913 0.490 1.00 50.20 C ATOM 502 NE ARG A 33 11.368 -12.424 -0.869 1.00 49.30 N ATOM 503 CZ ARG A 33 12.428 -12.601 -1.681 1.00 50.64 C ATOM 504 NH1 ARG A 33 13.642 -12.275 -1.294 1.00 49.20 N1+ ATOM 505 NH2 ARG A 33 12.213 -13.088 -2.891 1.00 49.20 N ATOM 0 H ARG A 33 8.910 -8.957 2.102 1.00 49.53 H new ATOM 0 HA ARG A 33 8.214 -11.602 2.984 1.00 50.07 H new ATOM 0 HB2 ARG A 33 10.839 -10.199 2.548 1.00 49.82 H new ATOM 0 HB3 ARG A 33 10.716 -11.840 3.150 1.00 49.82 H new ATOM 0 HG2 ARG A 33 9.519 -12.512 1.099 1.00 49.82 H new ATOM 0 HG3 ARG A 33 9.616 -10.868 0.498 1.00 49.82 H new ATOM 0 HD2 ARG A 33 12.051 -11.007 0.490 1.00 50.20 H new ATOM 0 HD3 ARG A 33 11.966 -12.643 1.110 1.00 50.20 H new ATOM 0 HE ARG A 33 10.446 -12.665 -1.233 1.00 49.30 H new ATOM 0 HH11 ARG A 33 13.793 -11.881 -0.365 1.00 49.20 H new ATOM 0 HH12 ARG A 33 14.433 -12.416 -1.923 1.00 49.20 H new ATOM 0 HH21 ARG A 33 11.264 -13.319 -3.187 1.00 49.20 H new ATOM 0 HH22 ARG A 33 12.996 -13.233 -3.529 1.00 49.20 H new ATOM 519 N GLY A 34 9.152 -9.357 5.134 1.00 49.53 N ATOM 520 CA GLY A 34 9.303 -9.068 6.556 1.00 49.98 C ATOM 521 C GLY A 34 10.756 -9.207 6.993 1.00 50.51 C ATOM 522 O GLY A 34 11.042 -9.413 8.173 1.00 49.49 O ATOM 0 H GLY A 34 9.172 -8.534 4.532 1.00 49.53 H new ATOM 0 HA2 GLY A 34 8.953 -8.057 6.764 1.00 49.98 H new ATOM 0 HA3 GLY A 34 8.679 -9.747 7.137 1.00 49.98 H new ATOM 526 N LEU A 35 11.671 -9.095 6.036 1.00 49.53 N ATOM 527 CA LEU A 35 13.094 -9.237 6.316 1.00 50.07 C ATOM 528 C LEU A 35 13.698 -7.917 6.781 1.00 50.51 C ATOM 529 O LEU A 35 13.253 -6.843 6.376 1.00 49.49 O ATOM 530 CB LEU A 35 13.830 -9.751 5.072 1.00 49.82 C ATOM 531 CG LEU A 35 13.373 -11.124 4.564 1.00 49.91 C ATOM 532 CD1 LEU A 35 14.109 -11.477 3.279 1.00 49.73 C ATOM 533 CD2 LEU A 35 13.625 -12.173 5.636 1.00 49.73 C ATOM 0 H LEU A 35 11.451 -8.906 5.058 1.00 49.53 H new ATOM 0 HA LEU A 35 13.210 -9.962 7.121 1.00 50.07 H new ATOM 0 HB2 LEU A 35 13.705 -9.024 4.269 1.00 49.82 H new ATOM 0 HB3 LEU A 35 14.896 -9.800 5.294 1.00 49.82 H new ATOM 0 HG LEU A 35 12.305 -11.094 4.348 1.00 49.91 H new ATOM 0 HD11 LEU A 35 13.777 -12.454 2.926 1.00 49.73 H new ATOM 0 HD12 LEU A 35 13.896 -10.725 2.519 1.00 49.73 H new ATOM 0 HD13 LEU A 35 15.182 -11.505 3.470 1.00 49.73 H new ATOM 0 HD21 LEU A 35 13.300 -13.148 5.274 1.00 49.73 H new ATOM 0 HD22 LEU A 35 14.690 -12.208 5.868 1.00 49.73 H new ATOM 0 HD23 LEU A 35 13.066 -11.915 6.536 1.00 49.73 H new ATOM 545 N SER A 36 14.713 -8.005 7.633 1.00 49.53 N ATOM 546 CA SER A 36 15.381 -6.818 8.154 1.00 50.07 C ATOM 547 C SER A 36 16.771 -7.153 8.678 1.00 50.51 C ATOM 548 O SER A 36 17.491 -6.278 9.159 1.00 49.49 O ATOM 549 CB SER A 36 14.543 -6.185 9.246 1.00 50.05 C ATOM 550 OG SER A 36 15.173 -5.069 9.815 1.00 49.34 O ATOM 0 H SER A 36 15.092 -8.887 7.978 1.00 49.53 H new ATOM 0 HA SER A 36 15.495 -6.106 7.336 1.00 50.07 H new ATOM 0 HB2 SER A 36 13.579 -5.886 8.835 1.00 50.05 H new ATOM 0 HB3 SER A 36 14.343 -6.923 10.023 1.00 50.05 H new ATOM 0 HG SER A 36 16.115 -5.051 9.544 1.00 49.34 H new TER 556 SER A 36