USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 727 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 77 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 THR OG1 : rot -19:sc= 0.676 USER MOD Set 2.1: A 49 SER OG : rot -92:sc= 1.38 USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0.914 USER MOD Set 3.1: A 29 SER OG : rot -133:sc= -0.266 USER MOD Set 3.2: A 73 THR OG1 : rot 172:sc= 0.197 USER MOD Set 4.1: A 23 ASN :FLIP amide:sc= 0.596 F(o=-2.5,f=1.5) USER MOD Set 4.2: A 96 THR OG1 : rot 118:sc= 0.952 USER MOD Single : A 1 GLU N :NH3+ -168:sc= 0 (180deg=-0.0677) USER MOD Single : A 2 ASN : amide:sc=-0.00247 K(o=-0.0025,f=-3.1!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 46:sc= 1.1 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.44) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 25 ASN : amide:sc= -1.96 K(o=-2,f=-2.9!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0918 USER MOD Single : A 27 THR OG1 : rot 19:sc= 1.66 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -3.63 K(o=-3.6,f=-6.7!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.45 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -129:sc= -0.965 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.5!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -3.59 K(o=-3.6,f=-6.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -57:sc= 0.00359 USER MOD Single : A 64 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.67) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0417 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.47) USER MOD Single : A 93 THR OG1 : rot 172:sc= 2.04 USER MOD Single : A 98 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 137:sc= 0.383 (180deg=-0.104) USER MOD Single : A 100 THR OG1 : rot 73:sc= 0.17 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.034 2.401 15.212 1.00 24.42 N ATOM 2 CA GLU A 1 2.173 2.878 15.988 1.00 65.53 C ATOM 3 C GLU A 1 3.478 2.295 15.452 1.00 4.12 C ATOM 4 O GLU A 1 3.998 1.316 15.986 1.00 44.24 O ATOM 5 CB GLU A 1 2.005 2.508 17.463 1.00 50.20 C ATOM 6 CG GLU A 1 0.768 3.114 18.105 1.00 70.04 C ATOM 7 CD GLU A 1 -0.275 2.072 18.460 1.00 62.24 C ATOM 8 OE1 GLU A 1 0.031 1.185 19.284 1.00 33.21 O ATOM 9 OE2 GLU A 1 -1.395 2.143 17.913 1.00 33.24 O ATOM 0 H1 GLU A 1 0.190 2.958 15.456 1.00 24.42 H new ATOM 0 H2 GLU A 1 1.237 2.506 14.197 1.00 24.42 H new ATOM 0 H3 GLU A 1 0.862 1.399 15.429 1.00 24.42 H new ATOM 0 HA GLU A 1 2.214 3.963 15.896 1.00 65.53 H new ATOM 0 HB2 GLU A 1 1.957 1.423 17.554 1.00 50.20 H new ATOM 0 HB3 GLU A 1 2.887 2.835 18.014 1.00 50.20 H new ATOM 0 HG2 GLU A 1 1.058 3.654 19.006 1.00 70.04 H new ATOM 0 HG3 GLU A 1 0.330 3.844 17.424 1.00 70.04 H new ATOM 16 N ASN A 2 4.001 2.905 14.393 1.00 1.13 N ATOM 17 CA ASN A 2 5.244 2.447 13.784 1.00 45.10 C ATOM 18 C ASN A 2 6.361 3.464 13.996 1.00 4.54 C ATOM 19 O ASN A 2 6.103 4.649 14.211 1.00 51.10 O ATOM 20 CB ASN A 2 5.043 2.200 12.288 1.00 74.44 C ATOM 21 CG ASN A 2 4.273 0.922 12.012 1.00 42.35 C ATOM 22 OD1 ASN A 2 3.467 0.481 12.830 1.00 33.03 O ATOM 23 ND2 ASN A 2 4.520 0.322 10.853 1.00 22.31 N ATOM 0 H ASN A 2 3.583 3.717 13.939 1.00 1.13 H new ATOM 0 HA ASN A 2 5.531 1.512 14.265 1.00 45.10 H new ATOM 0 HB2 ASN A 2 4.509 3.044 11.851 1.00 74.44 H new ATOM 0 HB3 ASN A 2 6.015 2.149 11.797 1.00 74.44 H new ATOM 0 HD21 ASN A 2 4.033 -0.541 10.611 1.00 22.31 H new ATOM 0 HD22 ASN A 2 5.197 0.724 10.205 1.00 22.31 H new ATOM 30 N ILE A 3 7.602 2.994 13.934 1.00 24.14 N ATOM 31 CA ILE A 3 8.758 3.863 14.118 1.00 23.42 C ATOM 32 C ILE A 3 9.908 3.448 13.207 1.00 62.15 C ATOM 33 O ILE A 3 11.074 3.502 13.597 1.00 24.14 O ATOM 34 CB ILE A 3 9.246 3.849 15.579 1.00 11.50 C ATOM 35 CG1 ILE A 3 9.585 2.422 16.013 1.00 4.25 C ATOM 36 CG2 ILE A 3 8.191 4.451 16.495 1.00 35.11 C ATOM 37 CD1 ILE A 3 10.930 2.302 16.696 1.00 61.03 C ATOM 0 H ILE A 3 7.833 2.016 13.758 1.00 24.14 H new ATOM 0 HA ILE A 3 8.438 4.872 13.859 1.00 23.42 H new ATOM 0 HB ILE A 3 10.150 4.454 15.651 1.00 11.50 H new ATOM 0 HG12 ILE A 3 8.810 2.063 16.690 1.00 4.25 H new ATOM 0 HG13 ILE A 3 9.571 1.772 15.138 1.00 4.25 H new ATOM 0 HG21 ILE A 3 8.550 4.434 17.524 1.00 35.11 H new ATOM 0 HG22 ILE A 3 7.994 5.481 16.196 1.00 35.11 H new ATOM 0 HG23 ILE A 3 7.272 3.870 16.422 1.00 35.11 H new ATOM 0 HD11 ILE A 3 11.104 1.263 16.976 1.00 61.03 H new ATOM 0 HD12 ILE A 3 11.715 2.631 16.015 1.00 61.03 H new ATOM 0 HD13 ILE A 3 10.941 2.926 17.590 1.00 61.03 H new ATOM 49 N ASP A 4 9.572 3.036 11.989 1.00 34.44 N ATOM 50 CA ASP A 4 10.576 2.614 11.020 1.00 41.22 C ATOM 51 C ASP A 4 10.984 3.777 10.120 1.00 22.41 C ATOM 52 O ASP A 4 10.979 3.657 8.895 1.00 51.05 O ATOM 53 CB ASP A 4 10.043 1.459 10.171 1.00 24.20 C ATOM 54 CG ASP A 4 9.604 0.277 11.013 1.00 74.03 C ATOM 55 OD1 ASP A 4 10.376 -0.139 11.902 1.00 12.42 O ATOM 56 OD2 ASP A 4 8.487 -0.232 10.783 1.00 52.15 O ATOM 0 H ASP A 4 8.611 2.985 11.650 1.00 34.44 H new ATOM 0 HA ASP A 4 11.455 2.276 11.568 1.00 41.22 H new ATOM 0 HB2 ASP A 4 9.201 1.809 9.574 1.00 24.20 H new ATOM 0 HB3 ASP A 4 10.816 1.137 9.473 1.00 24.20 H new ATOM 61 N ILE A 5 11.336 4.900 10.736 1.00 30.15 N ATOM 62 CA ILE A 5 11.747 6.083 9.991 1.00 14.31 C ATOM 63 C ILE A 5 13.233 6.364 10.180 1.00 24.25 C ATOM 64 O ILE A 5 13.671 6.753 11.264 1.00 33.11 O ATOM 65 CB ILE A 5 10.943 7.325 10.419 1.00 13.32 C ATOM 66 CG1 ILE A 5 9.443 7.022 10.395 1.00 1.34 C ATOM 67 CG2 ILE A 5 11.265 8.503 9.512 1.00 0.41 C ATOM 68 CD1 ILE A 5 8.940 6.566 9.044 1.00 42.34 C ATOM 0 H ILE A 5 11.345 5.016 11.749 1.00 30.15 H new ATOM 0 HA ILE A 5 11.550 5.877 8.939 1.00 14.31 H new ATOM 0 HB ILE A 5 11.225 7.588 11.438 1.00 13.32 H new ATOM 0 HG12 ILE A 5 9.225 6.251 11.134 1.00 1.34 H new ATOM 0 HG13 ILE A 5 8.895 7.915 10.695 1.00 1.34 H new ATOM 0 HG21 ILE A 5 10.689 9.373 9.827 1.00 0.41 H new ATOM 0 HG22 ILE A 5 12.329 8.730 9.575 1.00 0.41 H new ATOM 0 HG23 ILE A 5 11.008 8.251 8.483 1.00 0.41 H new ATOM 0 HD11 ILE A 5 7.869 6.369 9.102 1.00 42.34 H new ATOM 0 HD12 ILE A 5 9.127 7.345 8.304 1.00 42.34 H new ATOM 0 HD13 ILE A 5 9.461 5.655 8.750 1.00 42.34 H new ATOM 80 N THR A 6 14.008 6.166 9.118 1.00 34.50 N ATOM 81 CA THR A 6 15.446 6.398 9.166 1.00 34.52 C ATOM 82 C THR A 6 15.760 7.887 9.242 1.00 10.20 C ATOM 83 O THR A 6 16.798 8.287 9.769 1.00 64.12 O ATOM 84 CB THR A 6 16.153 5.797 7.937 1.00 41.13 C ATOM 85 OG1 THR A 6 17.572 5.923 8.078 1.00 24.53 O ATOM 86 CG2 THR A 6 15.702 6.491 6.660 1.00 4.44 C ATOM 0 H THR A 6 13.663 5.845 8.213 1.00 34.50 H new ATOM 0 HA THR A 6 15.816 5.906 10.065 1.00 34.52 H new ATOM 0 HB THR A 6 15.887 4.742 7.872 1.00 41.13 H new ATOM 0 HG1 THR A 6 18.014 5.537 7.293 1.00 24.53 H new ATOM 0 HG21 THR A 6 16.215 6.050 5.805 1.00 4.44 H new ATOM 0 HG22 THR A 6 14.626 6.369 6.540 1.00 4.44 H new ATOM 0 HG23 THR A 6 15.942 7.553 6.719 1.00 4.44 H new ATOM 94 N VAL A 7 14.856 8.706 8.713 1.00 61.21 N ATOM 95 CA VAL A 7 15.036 10.153 8.722 1.00 24.45 C ATOM 96 C VAL A 7 16.290 10.555 7.953 1.00 14.23 C ATOM 97 O VAL A 7 17.345 10.785 8.543 1.00 24.11 O ATOM 98 CB VAL A 7 15.133 10.697 10.160 1.00 33.32 C ATOM 99 CG1 VAL A 7 15.267 12.212 10.150 1.00 65.20 C ATOM 100 CG2 VAL A 7 13.922 10.266 10.974 1.00 10.44 C ATOM 0 H VAL A 7 13.991 8.392 8.273 1.00 61.21 H new ATOM 0 HA VAL A 7 14.161 10.584 8.236 1.00 24.45 H new ATOM 0 HB VAL A 7 16.025 10.281 10.629 1.00 33.32 H new ATOM 0 HG11 VAL A 7 15.334 12.578 11.174 1.00 65.20 H new ATOM 0 HG12 VAL A 7 16.167 12.494 9.604 1.00 65.20 H new ATOM 0 HG13 VAL A 7 14.396 12.651 9.664 1.00 65.20 H new ATOM 0 HG21 VAL A 7 14.006 10.659 11.987 1.00 10.44 H new ATOM 0 HG22 VAL A 7 13.015 10.653 10.509 1.00 10.44 H new ATOM 0 HG23 VAL A 7 13.876 9.178 11.009 1.00 10.44 H new ATOM 110 N SER A 8 16.165 10.639 6.633 1.00 43.53 N ATOM 111 CA SER A 8 17.289 11.012 5.781 1.00 22.53 C ATOM 112 C SER A 8 17.601 12.499 5.912 1.00 55.40 C ATOM 113 O SER A 8 16.880 13.239 6.582 1.00 60.15 O ATOM 114 CB SER A 8 16.986 10.669 4.321 1.00 32.34 C ATOM 115 OG SER A 8 18.143 10.187 3.660 1.00 75.22 O ATOM 0 H SER A 8 15.297 10.454 6.130 1.00 43.53 H new ATOM 0 HA SER A 8 18.162 10.446 6.106 1.00 22.53 H new ATOM 0 HB2 SER A 8 16.198 9.917 4.277 1.00 32.34 H new ATOM 0 HB3 SER A 8 16.611 11.554 3.806 1.00 32.34 H new ATOM 0 HG SER A 8 17.923 9.973 2.729 1.00 75.22 H new ATOM 121 N ALA A 9 18.680 12.930 5.267 1.00 55.50 N ATOM 122 CA ALA A 9 19.086 14.330 5.309 1.00 63.43 C ATOM 123 C ALA A 9 17.949 15.245 4.870 1.00 14.42 C ATOM 124 O ALA A 9 17.333 15.030 3.826 1.00 3.34 O ATOM 125 CB ALA A 9 20.311 14.549 4.433 1.00 51.52 C ATOM 0 H ALA A 9 19.288 12.331 4.709 1.00 55.50 H new ATOM 0 HA ALA A 9 19.339 14.579 6.339 1.00 63.43 H new ATOM 0 HB1 ALA A 9 20.604 15.598 4.473 1.00 51.52 H new ATOM 0 HB2 ALA A 9 21.132 13.929 4.794 1.00 51.52 H new ATOM 0 HB3 ALA A 9 20.076 14.277 3.404 1.00 51.52 H new ATOM 131 N ALA A 10 17.674 16.267 5.675 1.00 71.12 N ATOM 132 CA ALA A 10 16.611 17.216 5.369 1.00 72.04 C ATOM 133 C ALA A 10 17.061 18.649 5.634 1.00 72.41 C ATOM 134 O ALA A 10 18.118 18.880 6.221 1.00 1.34 O ATOM 135 CB ALA A 10 15.365 16.893 6.180 1.00 1.14 C ATOM 0 H ALA A 10 18.173 16.458 6.544 1.00 71.12 H new ATOM 0 HA ALA A 10 16.373 17.128 4.309 1.00 72.04 H new ATOM 0 HB1 ALA A 10 14.579 17.610 5.941 1.00 1.14 H new ATOM 0 HB2 ALA A 10 15.024 15.887 5.937 1.00 1.14 H new ATOM 0 HB3 ALA A 10 15.598 16.951 7.243 1.00 1.14 H new ATOM 141 N THR A 11 16.252 19.609 5.197 1.00 72.25 N ATOM 142 CA THR A 11 16.568 21.019 5.385 1.00 54.00 C ATOM 143 C THR A 11 15.563 21.688 6.316 1.00 75.04 C ATOM 144 O THR A 11 14.553 22.233 5.867 1.00 2.32 O ATOM 145 CB THR A 11 16.589 21.774 4.043 1.00 52.34 C ATOM 146 OG1 THR A 11 15.298 21.714 3.426 1.00 32.02 O ATOM 147 CG2 THR A 11 17.632 21.184 3.106 1.00 72.31 C ATOM 0 H THR A 11 15.373 19.435 4.710 1.00 72.25 H new ATOM 0 HA THR A 11 17.560 21.063 5.834 1.00 54.00 H new ATOM 0 HB THR A 11 16.848 22.814 4.241 1.00 52.34 H new ATOM 0 HG1 THR A 11 14.607 21.910 4.093 1.00 32.02 H new ATOM 0 HG21 THR A 11 17.628 21.734 2.165 1.00 72.31 H new ATOM 0 HG22 THR A 11 18.618 21.258 3.566 1.00 72.31 H new ATOM 0 HG23 THR A 11 17.399 20.136 2.915 1.00 72.31 H new ATOM 155 N LEU A 12 15.844 21.644 7.613 1.00 23.30 N ATOM 156 CA LEU A 12 14.964 22.247 8.608 1.00 24.11 C ATOM 157 C LEU A 12 15.428 23.656 8.962 1.00 51.32 C ATOM 158 O LEU A 12 16.538 23.849 9.459 1.00 55.34 O ATOM 159 CB LEU A 12 14.918 21.381 9.869 1.00 44.45 C ATOM 160 CG LEU A 12 16.268 20.900 10.402 1.00 43.30 C ATOM 161 CD1 LEU A 12 16.259 20.863 11.922 1.00 11.43 C ATOM 162 CD2 LEU A 12 16.608 19.529 9.835 1.00 13.35 C ATOM 0 H LEU A 12 16.675 21.197 8.001 1.00 23.30 H new ATOM 0 HA LEU A 12 13.963 22.310 8.181 1.00 24.11 H new ATOM 0 HB2 LEU A 12 14.420 21.947 10.656 1.00 44.45 H new ATOM 0 HB3 LEU A 12 14.299 20.508 9.664 1.00 44.45 H new ATOM 0 HG LEU A 12 17.036 21.604 10.081 1.00 43.30 H new ATOM 0 HD11 LEU A 12 17.228 20.518 12.283 1.00 11.43 H new ATOM 0 HD12 LEU A 12 16.062 21.863 12.309 1.00 11.43 H new ATOM 0 HD13 LEU A 12 15.481 20.181 12.265 1.00 11.43 H new ATOM 0 HD21 LEU A 12 17.572 19.203 10.225 1.00 13.35 H new ATOM 0 HD22 LEU A 12 15.838 18.814 10.125 1.00 13.35 H new ATOM 0 HD23 LEU A 12 16.658 19.587 8.748 1.00 13.35 H new ATOM 174 N SER A 13 14.570 24.638 8.704 1.00 14.14 N ATOM 175 CA SER A 13 14.892 26.030 8.994 1.00 14.52 C ATOM 176 C SER A 13 14.024 26.563 10.131 1.00 44.43 C ATOM 177 O SER A 13 14.520 27.210 11.053 1.00 12.24 O ATOM 178 CB SER A 13 14.699 26.891 7.744 1.00 3.31 C ATOM 179 OG SER A 13 14.959 28.257 8.020 1.00 24.41 O ATOM 0 H SER A 13 13.647 24.495 8.295 1.00 14.14 H new ATOM 0 HA SER A 13 15.936 26.079 9.303 1.00 14.52 H new ATOM 0 HB2 SER A 13 15.364 26.544 6.953 1.00 3.31 H new ATOM 0 HB3 SER A 13 13.679 26.779 7.375 1.00 3.31 H new ATOM 0 HG SER A 13 14.830 28.786 7.205 1.00 24.41 H new ATOM 185 N SER A 14 12.726 26.287 10.056 1.00 25.41 N ATOM 186 CA SER A 14 11.788 26.741 11.076 1.00 62.32 C ATOM 187 C SER A 14 10.604 25.786 11.188 1.00 32.43 C ATOM 188 O SER A 14 10.201 25.161 10.206 1.00 12.24 O ATOM 189 CB SER A 14 11.292 28.151 10.750 1.00 33.24 C ATOM 190 OG SER A 14 10.051 28.110 10.067 1.00 33.55 O ATOM 0 H SER A 14 12.300 25.751 9.300 1.00 25.41 H new ATOM 0 HA SER A 14 12.309 26.759 12.033 1.00 62.32 H new ATOM 0 HB2 SER A 14 11.185 28.724 11.671 1.00 33.24 H new ATOM 0 HB3 SER A 14 12.031 28.667 10.137 1.00 33.24 H new ATOM 0 HG SER A 14 9.755 29.023 9.871 1.00 33.55 H new ATOM 196 N ILE A 15 10.051 25.678 12.392 1.00 63.32 N ATOM 197 CA ILE A 15 8.913 24.800 12.633 1.00 12.12 C ATOM 198 C ILE A 15 7.752 25.565 13.261 1.00 64.12 C ATOM 199 O ILE A 15 7.956 26.552 13.967 1.00 40.41 O ATOM 200 CB ILE A 15 9.294 23.623 13.551 1.00 14.51 C ATOM 201 CG1 ILE A 15 10.626 23.015 13.110 1.00 23.22 C ATOM 202 CG2 ILE A 15 8.196 22.570 13.545 1.00 50.02 C ATOM 203 CD1 ILE A 15 10.652 22.608 11.653 1.00 3.34 C ATOM 0 H ILE A 15 10.373 26.187 13.215 1.00 63.32 H new ATOM 0 HA ILE A 15 8.605 24.409 11.663 1.00 12.12 H new ATOM 0 HB ILE A 15 9.406 23.996 14.569 1.00 14.51 H new ATOM 0 HG12 ILE A 15 11.423 23.736 13.292 1.00 23.22 H new ATOM 0 HG13 ILE A 15 10.839 22.142 13.727 1.00 23.22 H new ATOM 0 HG21 ILE A 15 8.480 21.745 14.198 1.00 50.02 H new ATOM 0 HG22 ILE A 15 7.266 23.012 13.902 1.00 50.02 H new ATOM 0 HG23 ILE A 15 8.055 22.198 12.530 1.00 50.02 H new ATOM 0 HD11 ILE A 15 11.627 22.185 11.411 1.00 3.34 H new ATOM 0 HD12 ILE A 15 9.878 21.863 11.469 1.00 3.34 H new ATOM 0 HD13 ILE A 15 10.470 23.482 11.028 1.00 3.34 H new ATOM 215 N SER A 16 6.535 25.101 13.000 1.00 74.35 N ATOM 216 CA SER A 16 5.340 25.742 13.537 1.00 5.11 C ATOM 217 C SER A 16 4.547 24.771 14.406 1.00 53.11 C ATOM 218 O SER A 16 4.210 23.668 13.974 1.00 10.12 O ATOM 219 CB SER A 16 4.460 26.264 12.400 1.00 60.52 C ATOM 220 OG SER A 16 4.223 27.654 12.535 1.00 41.13 O ATOM 0 H SER A 16 6.350 24.283 12.420 1.00 74.35 H new ATOM 0 HA SER A 16 5.655 26.582 14.156 1.00 5.11 H new ATOM 0 HB2 SER A 16 4.942 26.065 11.443 1.00 60.52 H new ATOM 0 HB3 SER A 16 3.510 25.729 12.396 1.00 60.52 H new ATOM 0 HG SER A 16 3.660 27.963 11.795 1.00 41.13 H new ATOM 226 N ILE A 17 4.251 25.190 15.632 1.00 65.22 N ATOM 227 CA ILE A 17 3.497 24.359 16.561 1.00 34.53 C ATOM 228 C ILE A 17 2.294 25.111 17.120 1.00 52.23 C ATOM 229 O ILE A 17 2.370 26.309 17.391 1.00 14.50 O ATOM 230 CB ILE A 17 4.377 23.880 17.731 1.00 12.00 C ATOM 231 CG1 ILE A 17 5.725 23.377 17.211 1.00 72.52 C ATOM 232 CG2 ILE A 17 3.665 22.789 18.517 1.00 4.14 C ATOM 233 CD1 ILE A 17 6.654 22.898 18.304 1.00 1.54 C ATOM 0 H ILE A 17 4.522 26.100 16.004 1.00 65.22 H new ATOM 0 HA ILE A 17 3.151 23.492 15.998 1.00 34.53 H new ATOM 0 HB ILE A 17 4.558 24.722 18.399 1.00 12.00 H new ATOM 0 HG12 ILE A 17 5.553 22.562 16.509 1.00 72.52 H new ATOM 0 HG13 ILE A 17 6.213 24.178 16.656 1.00 72.52 H new ATOM 0 HG21 ILE A 17 4.299 22.461 19.340 1.00 4.14 H new ATOM 0 HG22 ILE A 17 2.728 23.179 18.914 1.00 4.14 H new ATOM 0 HG23 ILE A 17 3.457 21.944 17.860 1.00 4.14 H new ATOM 0 HD11 ILE A 17 7.590 22.556 17.862 1.00 1.54 H new ATOM 0 HD12 ILE A 17 6.856 23.717 18.994 1.00 1.54 H new ATOM 0 HD13 ILE A 17 6.186 22.075 18.845 1.00 1.54 H new ATOM 245 N SER A 18 1.184 24.399 17.291 1.00 43.34 N ATOM 246 CA SER A 18 -0.036 25.000 17.815 1.00 13.33 C ATOM 247 C SER A 18 -0.639 24.133 18.916 1.00 32.20 C ATOM 248 O SER A 18 -1.679 23.497 18.741 1.00 12.44 O ATOM 249 CB SER A 18 -1.055 25.200 16.692 1.00 74.12 C ATOM 250 OG SER A 18 -0.976 26.510 16.158 1.00 12.34 O ATOM 0 H SER A 18 1.105 23.405 17.074 1.00 43.34 H new ATOM 0 HA SER A 18 0.220 25.971 18.240 1.00 13.33 H new ATOM 0 HB2 SER A 18 -0.877 24.471 15.902 1.00 74.12 H new ATOM 0 HB3 SER A 18 -2.060 25.019 17.073 1.00 74.12 H new ATOM 0 HG SER A 18 -1.636 26.611 15.441 1.00 12.34 H new ATOM 256 N PRO A 19 0.029 24.105 20.079 1.00 71.33 N ATOM 257 CA PRO A 19 -0.422 23.320 21.232 1.00 64.31 C ATOM 258 C PRO A 19 -1.689 23.889 21.861 1.00 23.21 C ATOM 259 O PRO A 19 -2.030 25.052 21.647 1.00 54.30 O ATOM 260 CB PRO A 19 0.752 23.419 22.209 1.00 1.53 C ATOM 261 CG PRO A 19 1.442 24.688 21.844 1.00 2.34 C ATOM 262 CD PRO A 19 1.275 24.838 20.357 1.00 24.54 C ATOM 0 HA PRO A 19 -0.678 22.298 20.954 1.00 64.31 H new ATOM 0 HB2 PRO A 19 0.406 23.439 23.243 1.00 1.53 H new ATOM 0 HB3 PRO A 19 1.420 22.563 22.113 1.00 1.53 H new ATOM 0 HG2 PRO A 19 1.006 25.535 22.373 1.00 2.34 H new ATOM 0 HG3 PRO A 19 2.497 24.651 22.116 1.00 2.34 H new ATOM 0 HD2 PRO A 19 1.199 25.885 20.065 1.00 24.54 H new ATOM 0 HD3 PRO A 19 2.120 24.416 19.813 1.00 24.54 H new ATOM 270 N ILE A 20 -2.381 23.062 22.638 1.00 42.23 N ATOM 271 CA ILE A 20 -3.609 23.485 23.299 1.00 71.30 C ATOM 272 C ILE A 20 -3.647 23.005 24.746 1.00 14.20 C ATOM 273 O ILE A 20 -3.248 21.882 25.049 1.00 65.00 O ATOM 274 CB ILE A 20 -4.855 22.958 22.562 1.00 1.13 C ATOM 275 CG1 ILE A 20 -6.126 23.546 23.180 1.00 64.34 C ATOM 276 CG2 ILE A 20 -4.893 21.438 22.606 1.00 65.25 C ATOM 277 CD1 ILE A 20 -7.381 23.227 22.398 1.00 65.34 C ATOM 0 H ILE A 20 -2.112 22.096 22.825 1.00 42.23 H new ATOM 0 HA ILE A 20 -3.619 24.575 23.280 1.00 71.30 H new ATOM 0 HB ILE A 20 -4.802 23.271 21.519 1.00 1.13 H new ATOM 0 HG12 ILE A 20 -6.235 23.168 24.196 1.00 64.34 H new ATOM 0 HG13 ILE A 20 -6.018 24.628 23.253 1.00 64.34 H new ATOM 0 HG21 ILE A 20 -5.779 21.081 22.081 1.00 65.25 H new ATOM 0 HG22 ILE A 20 -4.000 21.038 22.125 1.00 65.25 H new ATOM 0 HG23 ILE A 20 -4.927 21.105 23.643 1.00 65.25 H new ATOM 0 HD11 ILE A 20 -8.242 23.675 22.894 1.00 65.34 H new ATOM 0 HD12 ILE A 20 -7.293 23.629 21.389 1.00 65.34 H new ATOM 0 HD13 ILE A 20 -7.513 22.146 22.347 1.00 65.34 H new ATOM 289 N ASN A 21 -4.133 23.865 25.636 1.00 72.32 N ATOM 290 CA ASN A 21 -4.225 23.528 27.052 1.00 54.40 C ATOM 291 C ASN A 21 -5.663 23.193 27.439 1.00 65.11 C ATOM 292 O ASN A 21 -6.477 24.084 27.681 1.00 0.41 O ATOM 293 CB ASN A 21 -3.713 24.689 27.907 1.00 24.34 C ATOM 294 CG ASN A 21 -4.152 26.039 27.374 1.00 62.41 C ATOM 295 OD1 ASN A 21 -5.204 26.555 27.750 1.00 32.32 O ATOM 296 ND2 ASN A 21 -3.345 26.617 26.492 1.00 62.00 N ATOM 0 H ASN A 21 -4.469 24.799 25.402 1.00 72.32 H new ATOM 0 HA ASN A 21 -3.605 22.650 27.233 1.00 54.40 H new ATOM 0 HB2 ASN A 21 -4.074 24.570 28.929 1.00 24.34 H new ATOM 0 HB3 ASN A 21 -2.624 24.654 27.947 1.00 24.34 H new ATOM 0 HD21 ASN A 21 -3.588 27.526 26.098 1.00 62.00 H new ATOM 0 HD22 ASN A 21 -2.482 26.152 26.209 1.00 62.00 H new ATOM 303 N THR A 22 -5.968 21.900 27.496 1.00 0.30 N ATOM 304 CA THR A 22 -7.306 21.446 27.853 1.00 51.11 C ATOM 305 C THR A 22 -7.252 20.362 28.923 1.00 65.43 C ATOM 306 O THR A 22 -6.225 19.710 29.107 1.00 4.14 O ATOM 307 CB THR A 22 -8.061 20.903 26.625 1.00 21.41 C ATOM 308 OG1 THR A 22 -7.538 21.491 25.429 1.00 71.33 O ATOM 309 CG2 THR A 22 -9.550 21.196 26.732 1.00 62.13 C ATOM 0 H THR A 22 -5.306 21.149 27.299 1.00 0.30 H new ATOM 0 HA THR A 22 -7.840 22.312 28.245 1.00 51.11 H new ATOM 0 HB THR A 22 -7.922 19.823 26.589 1.00 21.41 H new ATOM 0 HG1 THR A 22 -8.022 21.139 24.653 1.00 71.33 H new ATOM 0 HG21 THR A 22 -10.062 20.803 25.854 1.00 62.13 H new ATOM 0 HG22 THR A 22 -9.951 20.722 27.628 1.00 62.13 H new ATOM 0 HG23 THR A 22 -9.706 22.273 26.791 1.00 62.13 H new ATOM 317 N ASN A 23 -8.364 20.173 29.625 1.00 52.11 N ATOM 318 CA ASN A 23 -8.442 19.166 30.677 1.00 15.31 C ATOM 319 C ASN A 23 -9.362 18.020 30.266 1.00 3.10 C ATOM 320 O ASN A 23 -10.446 18.244 29.727 1.00 32.33 O ATOM 321 CB ASN A 23 -8.945 19.796 31.978 1.00 44.10 C ATOM 322 CG ASN A 23 -8.449 21.218 32.161 1.00 20.40 C ATOM 323 OD1 ASN A 23 -7.164 21.433 31.907 1.00 71.03 O flip ATOM 324 ND2 ASN A 23 -9.213 22.111 32.527 1.00 44.25 N flip ATOM 0 H ASN A 23 -9.224 20.704 29.485 1.00 52.11 H new ATOM 0 HA ASN A 23 -7.441 18.766 30.837 1.00 15.31 H new ATOM 0 HB2 ASN A 23 -10.035 19.791 31.984 1.00 44.10 H new ATOM 0 HB3 ASN A 23 -8.619 19.189 32.822 1.00 44.10 H new ATOM 0 HD21 ASN A 23 -10.194 21.900 32.711 1.00 44.25 H new ATOM 0 HD22 ASN A 23 -8.865 23.062 32.646 1.00 44.25 H new ATOM 331 N ILE A 24 -8.921 16.794 30.524 1.00 23.44 N ATOM 332 CA ILE A 24 -9.704 15.613 30.183 1.00 73.00 C ATOM 333 C ILE A 24 -9.596 14.548 31.269 1.00 13.45 C ATOM 334 O ILE A 24 -8.615 14.500 32.009 1.00 24.42 O ATOM 335 CB ILE A 24 -9.254 15.008 28.840 1.00 33.43 C ATOM 336 CG1 ILE A 24 -9.150 16.099 27.773 1.00 13.11 C ATOM 337 CG2 ILE A 24 -10.221 13.919 28.400 1.00 71.34 C ATOM 338 CD1 ILE A 24 -10.490 16.657 27.347 1.00 11.33 C ATOM 0 H ILE A 24 -8.025 16.592 30.968 1.00 23.44 H new ATOM 0 HA ILE A 24 -10.741 15.937 30.098 1.00 73.00 H new ATOM 0 HB ILE A 24 -8.269 14.561 28.972 1.00 33.43 H new ATOM 0 HG12 ILE A 24 -8.532 16.912 28.155 1.00 13.11 H new ATOM 0 HG13 ILE A 24 -8.640 15.694 26.899 1.00 13.11 H new ATOM 0 HG21 ILE A 24 -9.890 13.501 27.449 1.00 71.34 H new ATOM 0 HG22 ILE A 24 -10.249 13.131 29.153 1.00 71.34 H new ATOM 0 HG23 ILE A 24 -11.218 14.344 28.282 1.00 71.34 H new ATOM 0 HD11 ILE A 24 -10.340 17.426 26.589 1.00 11.33 H new ATOM 0 HD12 ILE A 24 -11.103 15.856 26.935 1.00 11.33 H new ATOM 0 HD13 ILE A 24 -10.994 17.092 28.210 1.00 11.33 H new ATOM 350 N ASN A 25 -10.612 13.696 31.358 1.00 32.01 N ATOM 351 CA ASN A 25 -10.631 12.630 32.354 1.00 51.34 C ATOM 352 C ASN A 25 -10.757 11.264 31.686 1.00 44.31 C ATOM 353 O ASN A 25 -10.950 11.168 30.473 1.00 14.34 O ATOM 354 CB ASN A 25 -11.787 12.840 33.333 1.00 35.23 C ATOM 355 CG ASN A 25 -11.307 13.117 34.745 1.00 44.35 C ATOM 356 OD1 ASN A 25 -11.262 14.267 35.182 1.00 14.03 O ATOM 357 ND2 ASN A 25 -10.943 12.062 35.464 1.00 60.22 N ATOM 0 H ASN A 25 -11.433 13.723 30.753 1.00 32.01 H new ATOM 0 HA ASN A 25 -9.689 12.661 32.902 1.00 51.34 H new ATOM 0 HB2 ASN A 25 -12.402 13.673 32.991 1.00 35.23 H new ATOM 0 HB3 ASN A 25 -12.423 11.954 33.336 1.00 35.23 H new ATOM 0 HD21 ASN A 25 -10.609 12.187 36.420 1.00 60.22 H new ATOM 0 HD22 ASN A 25 -10.997 11.127 35.061 1.00 60.22 H new ATOM 364 N THR A 26 -10.645 10.208 32.486 1.00 54.13 N ATOM 365 CA THR A 26 -10.746 8.847 31.973 1.00 3.53 C ATOM 366 C THR A 26 -9.542 8.496 31.107 1.00 24.12 C ATOM 367 O THR A 26 -9.651 7.718 30.159 1.00 20.40 O ATOM 368 CB THR A 26 -12.032 8.651 31.149 1.00 42.14 C ATOM 369 OG1 THR A 26 -13.097 9.426 31.710 1.00 41.30 O ATOM 370 CG2 THR A 26 -12.431 7.184 31.110 1.00 33.22 C ATOM 0 H THR A 26 -10.484 10.269 33.491 1.00 54.13 H new ATOM 0 HA THR A 26 -10.774 8.184 32.838 1.00 3.53 H new ATOM 0 HB THR A 26 -11.839 8.986 30.130 1.00 42.14 H new ATOM 0 HG1 THR A 26 -13.910 9.297 31.179 1.00 41.30 H new ATOM 0 HG21 THR A 26 -13.342 7.070 30.522 1.00 33.22 H new ATOM 0 HG22 THR A 26 -11.630 6.601 30.655 1.00 33.22 H new ATOM 0 HG23 THR A 26 -12.607 6.828 32.125 1.00 33.22 H new ATOM 378 N THR A 27 -8.391 9.074 31.439 1.00 60.34 N ATOM 379 CA THR A 27 -7.166 8.822 30.691 1.00 62.33 C ATOM 380 C THR A 27 -7.408 8.922 29.189 1.00 61.20 C ATOM 381 O THR A 27 -7.691 7.923 28.528 1.00 74.13 O ATOM 382 CB THR A 27 -6.586 7.432 31.014 1.00 30.31 C ATOM 383 OG1 THR A 27 -7.507 6.411 30.613 1.00 11.31 O ATOM 384 CG2 THR A 27 -6.292 7.301 32.501 1.00 61.31 C ATOM 0 H THR A 27 -8.282 9.720 32.221 1.00 60.34 H new ATOM 0 HA THR A 27 -6.449 9.586 30.993 1.00 62.33 H new ATOM 0 HB THR A 27 -5.653 7.315 30.463 1.00 30.31 H new ATOM 0 HG1 THR A 27 -8.140 6.779 29.961 1.00 11.31 H new ATOM 0 HG21 THR A 27 -5.883 6.311 32.705 1.00 61.31 H new ATOM 0 HG22 THR A 27 -5.569 8.061 32.797 1.00 61.31 H new ATOM 0 HG23 THR A 27 -7.213 7.437 33.067 1.00 61.31 H new ATOM 392 N VAL A 28 -7.294 10.134 28.655 1.00 22.13 N ATOM 393 CA VAL A 28 -7.499 10.364 27.230 1.00 4.23 C ATOM 394 C VAL A 28 -6.331 11.135 26.625 1.00 41.02 C ATOM 395 O VAL A 28 -5.682 11.933 27.302 1.00 74.51 O ATOM 396 CB VAL A 28 -8.803 11.141 26.969 1.00 62.10 C ATOM 397 CG1 VAL A 28 -9.077 11.238 25.476 1.00 63.21 C ATOM 398 CG2 VAL A 28 -9.968 10.483 27.692 1.00 73.44 C ATOM 0 H VAL A 28 -7.061 10.972 29.188 1.00 22.13 H new ATOM 0 HA VAL A 28 -7.568 9.384 26.757 1.00 4.23 H new ATOM 0 HB VAL A 28 -8.688 12.152 27.359 1.00 62.10 H new ATOM 0 HG11 VAL A 28 -10.002 11.790 25.311 1.00 63.21 H new ATOM 0 HG12 VAL A 28 -8.252 11.757 24.988 1.00 63.21 H new ATOM 0 HG13 VAL A 28 -9.173 10.236 25.058 1.00 63.21 H new ATOM 0 HG21 VAL A 28 -10.881 11.045 27.497 1.00 73.44 H new ATOM 0 HG22 VAL A 28 -10.087 9.460 27.334 1.00 73.44 H new ATOM 0 HG23 VAL A 28 -9.771 10.472 28.764 1.00 73.44 H new ATOM 408 N SER A 29 -6.069 10.892 25.345 1.00 63.34 N ATOM 409 CA SER A 29 -4.976 11.561 24.648 1.00 74.35 C ATOM 410 C SER A 29 -5.455 12.860 24.008 1.00 54.23 C ATOM 411 O SER A 29 -6.566 12.935 23.481 1.00 30.14 O ATOM 412 CB SER A 29 -4.386 10.640 23.578 1.00 21.21 C ATOM 413 OG SER A 29 -4.835 9.307 23.749 1.00 62.53 O ATOM 0 H SER A 29 -6.598 10.237 24.769 1.00 63.34 H new ATOM 0 HA SER A 29 -4.203 11.799 25.379 1.00 74.35 H new ATOM 0 HB2 SER A 29 -4.670 10.999 22.588 1.00 21.21 H new ATOM 0 HB3 SER A 29 -3.298 10.670 23.628 1.00 21.21 H new ATOM 0 HG SER A 29 -4.073 8.694 23.685 1.00 62.53 H new ATOM 419 N LYS A 30 -4.609 13.883 24.057 1.00 52.41 N ATOM 420 CA LYS A 30 -4.943 15.181 23.482 1.00 41.21 C ATOM 421 C LYS A 30 -4.340 15.330 22.089 1.00 52.14 C ATOM 422 O LYS A 30 -3.194 14.948 21.855 1.00 60.20 O ATOM 423 CB LYS A 30 -4.442 16.308 24.389 1.00 73.32 C ATOM 424 CG LYS A 30 -5.533 16.931 25.243 1.00 62.02 C ATOM 425 CD LYS A 30 -6.585 17.619 24.389 1.00 2.11 C ATOM 426 CE LYS A 30 -7.983 17.116 24.714 1.00 22.31 C ATOM 427 NZ LYS A 30 -8.991 17.607 23.735 1.00 40.34 N ATOM 0 H LYS A 30 -3.686 13.839 24.489 1.00 52.41 H new ATOM 0 HA LYS A 30 -6.028 15.245 23.398 1.00 41.21 H new ATOM 0 HB2 LYS A 30 -3.660 15.918 25.041 1.00 73.32 H new ATOM 0 HB3 LYS A 30 -3.987 17.084 23.773 1.00 73.32 H new ATOM 0 HG2 LYS A 30 -6.005 16.160 25.852 1.00 62.02 H new ATOM 0 HG3 LYS A 30 -5.091 17.653 25.930 1.00 62.02 H new ATOM 0 HD2 LYS A 30 -6.538 18.696 24.550 1.00 2.11 H new ATOM 0 HD3 LYS A 30 -6.370 17.444 23.335 1.00 2.11 H new ATOM 0 HE2 LYS A 30 -7.984 16.026 24.721 1.00 22.31 H new ATOM 0 HE3 LYS A 30 -8.262 17.441 25.716 1.00 22.31 H new ATOM 0 HZ1 LYS A 30 -9.931 17.242 23.992 1.00 40.34 H new ATOM 0 HZ2 LYS A 30 -9.008 18.647 23.747 1.00 40.34 H new ATOM 0 HZ3 LYS A 30 -8.739 17.276 22.782 1.00 40.34 H new ATOM 441 N GLN A 31 -5.119 15.889 21.168 1.00 35.13 N ATOM 442 CA GLN A 31 -4.661 16.089 19.799 1.00 62.53 C ATOM 443 C GLN A 31 -4.187 17.523 19.587 1.00 61.41 C ATOM 444 O GLN A 31 -4.970 18.467 19.687 1.00 52.34 O ATOM 445 CB GLN A 31 -5.780 15.758 18.810 1.00 34.42 C ATOM 446 CG GLN A 31 -5.407 16.015 17.359 1.00 23.33 C ATOM 447 CD GLN A 31 -4.448 14.976 16.811 1.00 54.14 C ATOM 448 OE1 GLN A 31 -4.827 14.134 15.996 1.00 53.34 O ATOM 449 NE2 GLN A 31 -3.198 15.030 17.255 1.00 34.13 N ATOM 0 H GLN A 31 -6.070 16.211 21.346 1.00 35.13 H new ATOM 0 HA GLN A 31 -3.820 15.418 19.623 1.00 62.53 H new ATOM 0 HB2 GLN A 31 -6.057 14.710 18.925 1.00 34.42 H new ATOM 0 HB3 GLN A 31 -6.661 16.349 19.060 1.00 34.42 H new ATOM 0 HG2 GLN A 31 -6.312 16.025 16.751 1.00 23.33 H new ATOM 0 HG3 GLN A 31 -4.954 17.003 17.273 1.00 23.33 H new ATOM 0 HE21 GLN A 31 -2.927 15.745 17.930 1.00 34.13 H new ATOM 0 HE22 GLN A 31 -2.508 14.357 16.921 1.00 34.13 H new ATOM 458 N PHE A 32 -2.900 17.678 19.294 1.00 0.15 N ATOM 459 CA PHE A 32 -2.321 18.998 19.070 1.00 70.41 C ATOM 460 C PHE A 32 -2.022 19.215 17.590 1.00 41.45 C ATOM 461 O PHE A 32 -2.445 18.434 16.738 1.00 71.15 O ATOM 462 CB PHE A 32 -1.040 19.162 19.890 1.00 0.12 C ATOM 463 CG PHE A 32 -1.086 18.466 21.220 1.00 31.41 C ATOM 464 CD1 PHE A 32 -0.680 17.146 21.341 1.00 41.53 C ATOM 465 CD2 PHE A 32 -1.536 19.130 22.350 1.00 73.03 C ATOM 466 CE1 PHE A 32 -0.721 16.503 22.563 1.00 22.42 C ATOM 467 CE2 PHE A 32 -1.579 18.492 23.575 1.00 70.53 C ATOM 468 CZ PHE A 32 -1.172 17.176 23.681 1.00 20.14 C ATOM 0 H PHE A 32 -2.238 16.907 19.206 1.00 0.15 H new ATOM 0 HA PHE A 32 -3.047 19.746 19.390 1.00 70.41 H new ATOM 0 HB2 PHE A 32 -0.198 18.775 19.315 1.00 0.12 H new ATOM 0 HB3 PHE A 32 -0.855 20.224 20.051 1.00 0.12 H new ATOM 0 HD1 PHE A 32 -0.328 16.614 20.470 1.00 41.53 H new ATOM 0 HD2 PHE A 32 -1.857 20.158 22.272 1.00 73.03 H new ATOM 0 HE1 PHE A 32 -0.401 15.475 22.644 1.00 22.42 H new ATOM 0 HE2 PHE A 32 -1.930 19.021 24.448 1.00 70.53 H new ATOM 0 HZ PHE A 32 -1.207 16.674 24.637 1.00 20.14 H new ATOM 478 N PHE A 33 -1.290 20.284 17.291 1.00 60.30 N ATOM 479 CA PHE A 33 -0.935 20.607 15.914 1.00 61.51 C ATOM 480 C PHE A 33 0.578 20.562 15.718 1.00 53.43 C ATOM 481 O PHE A 33 1.339 21.017 16.571 1.00 15.13 O ATOM 482 CB PHE A 33 -1.469 21.990 15.538 1.00 12.21 C ATOM 483 CG PHE A 33 -2.667 21.945 14.633 1.00 62.32 C ATOM 484 CD1 PHE A 33 -3.878 21.451 15.089 1.00 15.52 C ATOM 485 CD2 PHE A 33 -2.581 22.395 13.325 1.00 22.12 C ATOM 486 CE1 PHE A 33 -4.983 21.409 14.259 1.00 63.41 C ATOM 487 CE2 PHE A 33 -3.682 22.355 12.491 1.00 64.15 C ATOM 488 CZ PHE A 33 -4.884 21.860 12.957 1.00 24.05 C ATOM 0 H PHE A 33 -0.931 20.941 17.984 1.00 60.30 H new ATOM 0 HA PHE A 33 -1.390 19.861 15.263 1.00 61.51 H new ATOM 0 HB2 PHE A 33 -1.732 22.529 16.448 1.00 12.21 H new ATOM 0 HB3 PHE A 33 -0.676 22.556 15.050 1.00 12.21 H new ATOM 0 HD1 PHE A 33 -3.960 21.094 16.105 1.00 15.52 H new ATOM 0 HD2 PHE A 33 -1.643 22.781 12.954 1.00 22.12 H new ATOM 0 HE1 PHE A 33 -5.922 21.024 14.628 1.00 63.41 H new ATOM 0 HE2 PHE A 33 -3.602 22.711 11.474 1.00 64.15 H new ATOM 0 HZ PHE A 33 -5.744 21.826 12.305 1.00 24.05 H new ATOM 498 N ALA A 34 1.006 20.011 14.587 1.00 73.21 N ATOM 499 CA ALA A 34 2.426 19.908 14.277 1.00 43.11 C ATOM 500 C ALA A 34 2.685 20.160 12.795 1.00 14.14 C ATOM 501 O ALA A 34 2.238 19.397 11.938 1.00 3.24 O ATOM 502 CB ALA A 34 2.957 18.541 14.682 1.00 3.02 C ATOM 0 H ALA A 34 0.389 19.629 13.870 1.00 73.21 H new ATOM 0 HA ALA A 34 2.953 20.674 14.846 1.00 43.11 H new ATOM 0 HB1 ALA A 34 4.019 18.478 14.445 1.00 3.02 H new ATOM 0 HB2 ALA A 34 2.816 18.399 15.753 1.00 3.02 H new ATOM 0 HB3 ALA A 34 2.417 17.765 14.139 1.00 3.02 H new ATOM 508 N VAL A 35 3.407 21.236 12.500 1.00 24.10 N ATOM 509 CA VAL A 35 3.725 21.588 11.121 1.00 5.45 C ATOM 510 C VAL A 35 5.219 21.842 10.950 1.00 51.04 C ATOM 511 O VAL A 35 5.852 22.479 11.790 1.00 12.33 O ATOM 512 CB VAL A 35 2.948 22.839 10.668 1.00 22.52 C ATOM 513 CG1 VAL A 35 3.126 23.065 9.175 1.00 53.53 C ATOM 514 CG2 VAL A 35 1.475 22.708 11.025 1.00 61.45 C ATOM 0 H VAL A 35 3.783 21.879 13.197 1.00 24.10 H new ATOM 0 HA VAL A 35 3.429 20.741 10.501 1.00 5.45 H new ATOM 0 HB VAL A 35 3.349 23.706 11.192 1.00 22.52 H new ATOM 0 HG11 VAL A 35 2.570 23.953 8.873 1.00 53.53 H new ATOM 0 HG12 VAL A 35 4.184 23.205 8.952 1.00 53.53 H new ATOM 0 HG13 VAL A 35 2.752 22.199 8.629 1.00 53.53 H new ATOM 0 HG21 VAL A 35 0.941 23.600 10.698 1.00 61.45 H new ATOM 0 HG22 VAL A 35 1.057 21.832 10.529 1.00 61.45 H new ATOM 0 HG23 VAL A 35 1.371 22.598 12.104 1.00 61.45 H new ATOM 524 N GLY A 36 5.777 21.338 9.853 1.00 51.42 N ATOM 525 CA GLY A 36 7.192 21.521 9.590 1.00 44.13 C ATOM 526 C GLY A 36 7.450 22.288 8.308 1.00 75.24 C ATOM 527 O GLY A 36 6.839 22.009 7.275 1.00 40.41 O ATOM 0 H GLY A 36 5.274 20.807 9.142 1.00 51.42 H new ATOM 0 HA2 GLY A 36 7.648 22.052 10.425 1.00 44.13 H new ATOM 0 HA3 GLY A 36 7.676 20.546 9.530 1.00 44.13 H new ATOM 531 N THR A 37 8.355 23.259 8.372 1.00 64.21 N ATOM 532 CA THR A 37 8.690 24.070 7.208 1.00 0.25 C ATOM 533 C THR A 37 10.125 23.821 6.759 1.00 60.04 C ATOM 534 O THR A 37 11.052 23.843 7.568 1.00 24.22 O ATOM 535 CB THR A 37 8.509 25.572 7.500 1.00 71.10 C ATOM 536 OG1 THR A 37 7.195 25.816 8.013 1.00 55.31 O ATOM 537 CG2 THR A 37 8.730 26.398 6.242 1.00 74.23 C ATOM 0 H THR A 37 8.870 23.503 9.218 1.00 64.21 H new ATOM 0 HA THR A 37 8.007 23.777 6.411 1.00 0.25 H new ATOM 0 HB THR A 37 9.249 25.867 8.244 1.00 71.10 H new ATOM 0 HG1 THR A 37 7.088 26.773 8.198 1.00 55.31 H new ATOM 0 HG21 THR A 37 8.597 27.455 6.473 1.00 74.23 H new ATOM 0 HG22 THR A 37 9.741 26.232 5.871 1.00 74.23 H new ATOM 0 HG23 THR A 37 8.010 26.100 5.480 1.00 74.23 H new ATOM 545 N TYR A 38 10.301 23.585 5.463 1.00 23.04 N ATOM 546 CA TYR A 38 11.624 23.330 4.906 1.00 23.21 C ATOM 547 C TYR A 38 12.267 24.623 4.413 1.00 35.13 C ATOM 548 O TYR A 38 11.579 25.536 3.958 1.00 53.54 O ATOM 549 CB TYR A 38 11.532 22.323 3.758 1.00 54.41 C ATOM 550 CG TYR A 38 11.058 20.954 4.190 1.00 53.14 C ATOM 551 CD1 TYR A 38 9.702 20.671 4.303 1.00 21.41 C ATOM 552 CD2 TYR A 38 11.965 19.944 4.485 1.00 11.21 C ATOM 553 CE1 TYR A 38 9.264 19.421 4.698 1.00 42.21 C ATOM 554 CE2 TYR A 38 11.536 18.692 4.879 1.00 21.41 C ATOM 555 CZ TYR A 38 10.185 18.435 4.984 1.00 10.03 C ATOM 556 OH TYR A 38 9.754 17.189 5.378 1.00 71.12 O ATOM 0 H TYR A 38 9.544 23.565 4.779 1.00 23.04 H new ATOM 0 HA TYR A 38 12.248 22.914 5.697 1.00 23.21 H new ATOM 0 HB2 TYR A 38 10.852 22.711 2.999 1.00 54.41 H new ATOM 0 HB3 TYR A 38 12.512 22.228 3.290 1.00 54.41 H new ATOM 0 HD1 TYR A 38 8.978 21.441 4.078 1.00 21.41 H new ATOM 0 HD2 TYR A 38 13.024 20.141 4.405 1.00 11.21 H new ATOM 0 HE1 TYR A 38 8.207 19.218 4.782 1.00 42.21 H new ATOM 0 HE2 TYR A 38 12.255 17.918 5.104 1.00 21.41 H new ATOM 0 HH TYR A 38 10.529 16.611 5.540 1.00 71.12 H new ATOM 566 N SER A 39 13.591 24.692 4.508 1.00 74.22 N ATOM 567 CA SER A 39 14.327 25.873 4.075 1.00 44.40 C ATOM 568 C SER A 39 14.097 26.144 2.591 1.00 11.13 C ATOM 569 O SER A 39 14.281 27.265 2.118 1.00 42.44 O ATOM 570 CB SER A 39 15.823 25.696 4.346 1.00 35.13 C ATOM 571 OG SER A 39 16.519 26.919 4.185 1.00 50.35 O ATOM 0 H SER A 39 14.175 23.944 4.881 1.00 74.22 H new ATOM 0 HA SER A 39 13.960 26.727 4.644 1.00 44.40 H new ATOM 0 HB2 SER A 39 15.970 25.321 5.359 1.00 35.13 H new ATOM 0 HB3 SER A 39 16.233 24.949 3.667 1.00 35.13 H new ATOM 0 HG SER A 39 17.472 26.779 4.365 1.00 50.35 H new ATOM 577 N ASP A 40 13.693 25.109 1.864 1.00 73.15 N ATOM 578 CA ASP A 40 13.435 25.234 0.433 1.00 25.55 C ATOM 579 C ASP A 40 12.182 26.065 0.177 1.00 24.12 C ATOM 580 O ASP A 40 11.903 26.452 -0.957 1.00 30.13 O ATOM 581 CB ASP A 40 13.284 23.850 -0.202 1.00 14.45 C ATOM 582 CG ASP A 40 14.208 23.653 -1.387 1.00 54.11 C ATOM 583 OD1 ASP A 40 14.188 24.503 -2.302 1.00 22.13 O ATOM 584 OD2 ASP A 40 14.950 22.648 -1.401 1.00 15.31 O ATOM 0 H ASP A 40 13.537 24.174 2.241 1.00 73.15 H new ATOM 0 HA ASP A 40 14.285 25.743 -0.022 1.00 25.55 H new ATOM 0 HB2 ASP A 40 13.490 23.085 0.547 1.00 14.45 H new ATOM 0 HB3 ASP A 40 12.252 23.711 -0.523 1.00 14.45 H new ATOM 589 N GLY A 41 11.430 26.335 1.240 1.00 52.24 N ATOM 590 CA GLY A 41 10.215 27.118 1.108 1.00 33.33 C ATOM 591 C GLY A 41 8.977 26.251 0.985 1.00 24.11 C ATOM 592 O GLY A 41 8.133 26.479 0.118 1.00 1.31 O ATOM 0 H GLY A 41 11.640 26.026 2.189 1.00 52.24 H new ATOM 0 HA2 GLY A 41 10.112 27.772 1.974 1.00 33.33 H new ATOM 0 HA3 GLY A 41 10.294 27.760 0.231 1.00 33.33 H new ATOM 596 N THR A 42 8.868 25.250 1.854 1.00 44.51 N ATOM 597 CA THR A 42 7.727 24.344 1.837 1.00 10.40 C ATOM 598 C THR A 42 7.130 24.186 3.231 1.00 61.13 C ATOM 599 O THR A 42 7.748 24.557 4.228 1.00 5.54 O ATOM 600 CB THR A 42 8.120 22.956 1.298 1.00 31.12 C ATOM 601 OG1 THR A 42 9.463 22.985 0.803 1.00 62.21 O ATOM 602 CG2 THR A 42 7.175 22.518 0.190 1.00 54.24 C ATOM 0 H THR A 42 9.557 25.047 2.578 1.00 44.51 H new ATOM 0 HA THR A 42 6.983 24.785 1.174 1.00 10.40 H new ATOM 0 HB THR A 42 8.051 22.240 2.117 1.00 31.12 H new ATOM 0 HG1 THR A 42 9.706 22.098 0.464 1.00 62.21 H new ATOM 0 HG21 THR A 42 7.473 21.535 -0.175 1.00 54.24 H new ATOM 0 HG22 THR A 42 6.158 22.468 0.578 1.00 54.24 H new ATOM 0 HG23 THR A 42 7.216 23.237 -0.629 1.00 54.24 H new ATOM 610 N LYS A 43 5.924 23.631 3.293 1.00 4.03 N ATOM 611 CA LYS A 43 5.243 23.421 4.565 1.00 25.33 C ATOM 612 C LYS A 43 4.369 22.172 4.514 1.00 22.25 C ATOM 613 O LYS A 43 3.545 22.016 3.614 1.00 11.22 O ATOM 614 CB LYS A 43 4.389 24.640 4.918 1.00 51.45 C ATOM 615 CG LYS A 43 3.473 25.087 3.791 1.00 33.14 C ATOM 616 CD LYS A 43 2.025 25.165 4.248 1.00 45.32 C ATOM 617 CE LYS A 43 1.809 26.314 5.221 1.00 44.22 C ATOM 618 NZ LYS A 43 0.370 26.678 5.338 1.00 2.24 N ATOM 0 H LYS A 43 5.398 23.319 2.477 1.00 4.03 H new ATOM 0 HA LYS A 43 6.001 23.282 5.336 1.00 25.33 H new ATOM 0 HB2 LYS A 43 3.785 24.409 5.796 1.00 51.45 H new ATOM 0 HB3 LYS A 43 5.045 25.466 5.191 1.00 51.45 H new ATOM 0 HG2 LYS A 43 3.793 26.063 3.426 1.00 33.14 H new ATOM 0 HG3 LYS A 43 3.555 24.391 2.956 1.00 33.14 H new ATOM 0 HD2 LYS A 43 1.375 25.293 3.382 1.00 45.32 H new ATOM 0 HD3 LYS A 43 1.741 24.226 4.723 1.00 45.32 H new ATOM 0 HE2 LYS A 43 2.194 26.036 6.202 1.00 44.22 H new ATOM 0 HE3 LYS A 43 2.378 27.183 4.889 1.00 44.22 H new ATOM 0 HZ1 LYS A 43 0.264 27.465 6.010 1.00 2.24 H new ATOM 0 HZ2 LYS A 43 0.008 26.967 4.407 1.00 2.24 H new ATOM 0 HZ3 LYS A 43 -0.169 25.857 5.679 1.00 2.24 H new ATOM 632 N ALA A 44 4.554 21.286 5.487 1.00 22.44 N ATOM 633 CA ALA A 44 3.780 20.053 5.555 1.00 72.51 C ATOM 634 C ALA A 44 3.571 19.614 7.000 1.00 31.13 C ATOM 635 O ALA A 44 4.509 19.603 7.798 1.00 40.44 O ATOM 636 CB ALA A 44 4.469 18.952 4.762 1.00 42.22 C ATOM 0 H ALA A 44 5.233 21.399 6.239 1.00 22.44 H new ATOM 0 HA ALA A 44 2.801 20.244 5.116 1.00 72.51 H new ATOM 0 HB1 ALA A 44 3.880 18.037 4.822 1.00 42.22 H new ATOM 0 HB2 ALA A 44 4.561 19.257 3.720 1.00 42.22 H new ATOM 0 HB3 ALA A 44 5.461 18.772 5.176 1.00 42.22 H new ATOM 642 N ASP A 45 2.336 19.253 7.332 1.00 40.44 N ATOM 643 CA ASP A 45 2.004 18.813 8.682 1.00 42.43 C ATOM 644 C ASP A 45 2.809 17.575 9.063 1.00 43.00 C ATOM 645 O ASP A 45 2.475 16.458 8.667 1.00 71.32 O ATOM 646 CB ASP A 45 0.508 18.518 8.791 1.00 34.43 C ATOM 647 CG ASP A 45 -0.012 17.715 7.614 1.00 4.05 C ATOM 648 OD1 ASP A 45 -0.296 18.323 6.561 1.00 64.53 O ATOM 649 OD2 ASP A 45 -0.133 16.479 7.747 1.00 51.51 O ATOM 0 H ASP A 45 1.548 19.257 6.684 1.00 40.44 H new ATOM 0 HA ASP A 45 2.259 19.616 9.373 1.00 42.43 H new ATOM 0 HB2 ASP A 45 0.315 17.971 9.714 1.00 34.43 H new ATOM 0 HB3 ASP A 45 -0.041 19.458 8.857 1.00 34.43 H new ATOM 654 N LEU A 46 3.872 17.781 9.833 1.00 20.30 N ATOM 655 CA LEU A 46 4.726 16.681 10.267 1.00 25.05 C ATOM 656 C LEU A 46 4.860 16.662 11.787 1.00 55.21 C ATOM 657 O LEU A 46 5.258 17.654 12.399 1.00 75.10 O ATOM 658 CB LEU A 46 6.109 16.799 9.624 1.00 24.14 C ATOM 659 CG LEU A 46 6.129 17.066 8.119 1.00 1.20 C ATOM 660 CD1 LEU A 46 7.058 18.226 7.795 1.00 53.20 C ATOM 661 CD2 LEU A 46 6.550 15.816 7.361 1.00 71.23 C ATOM 0 H LEU A 46 4.163 18.699 10.169 1.00 20.30 H new ATOM 0 HA LEU A 46 4.262 15.747 9.950 1.00 25.05 H new ATOM 0 HB2 LEU A 46 6.652 17.602 10.122 1.00 24.14 H new ATOM 0 HB3 LEU A 46 6.657 15.877 9.816 1.00 24.14 H new ATOM 0 HG LEU A 46 5.121 17.335 7.804 1.00 1.20 H new ATOM 0 HD11 LEU A 46 7.059 18.401 6.719 1.00 53.20 H new ATOM 0 HD12 LEU A 46 6.713 19.123 8.309 1.00 53.20 H new ATOM 0 HD13 LEU A 46 8.069 17.986 8.125 1.00 53.20 H new ATOM 0 HD21 LEU A 46 6.559 16.025 6.291 1.00 71.23 H new ATOM 0 HD22 LEU A 46 7.548 15.516 7.680 1.00 71.23 H new ATOM 0 HD23 LEU A 46 5.845 15.010 7.568 1.00 71.23 H new ATOM 673 N THR A 47 4.526 15.526 12.391 1.00 34.01 N ATOM 674 CA THR A 47 4.609 15.377 13.839 1.00 55.05 C ATOM 675 C THR A 47 5.741 14.435 14.230 1.00 2.13 C ATOM 676 O THR A 47 6.530 14.736 15.126 1.00 42.42 O ATOM 677 CB THR A 47 3.287 14.845 14.425 1.00 24.11 C ATOM 678 OG1 THR A 47 3.160 13.444 14.155 1.00 43.53 O ATOM 679 CG2 THR A 47 2.097 15.590 13.840 1.00 32.44 C ATOM 0 H THR A 47 4.195 14.695 11.900 1.00 34.01 H new ATOM 0 HA THR A 47 4.807 16.368 14.249 1.00 55.05 H new ATOM 0 HB THR A 47 3.302 15.007 15.503 1.00 24.11 H new ATOM 0 HG1 THR A 47 2.318 13.113 14.532 1.00 43.53 H new ATOM 0 HG21 THR A 47 1.175 15.197 14.269 1.00 32.44 H new ATOM 0 HG22 THR A 47 2.182 16.651 14.073 1.00 32.44 H new ATOM 0 HG23 THR A 47 2.080 15.456 12.758 1.00 32.44 H new ATOM 687 N SER A 48 5.816 13.294 13.553 1.00 23.45 N ATOM 688 CA SER A 48 6.852 12.306 13.833 1.00 34.44 C ATOM 689 C SER A 48 8.241 12.903 13.633 1.00 1.13 C ATOM 690 O SER A 48 9.235 12.368 14.123 1.00 65.30 O ATOM 691 CB SER A 48 6.676 11.082 12.932 1.00 34.12 C ATOM 692 OG SER A 48 7.830 10.260 12.957 1.00 51.35 O ATOM 0 H SER A 48 5.172 13.030 12.807 1.00 23.45 H new ATOM 0 HA SER A 48 6.754 11.999 14.874 1.00 34.44 H new ATOM 0 HB2 SER A 48 5.809 10.507 13.259 1.00 34.12 H new ATOM 0 HB3 SER A 48 6.477 11.404 11.910 1.00 34.12 H new ATOM 0 HG SER A 48 7.692 9.484 12.375 1.00 51.35 H new ATOM 698 N SER A 49 8.301 14.016 12.910 1.00 51.53 N ATOM 699 CA SER A 49 9.568 14.686 12.641 1.00 61.05 C ATOM 700 C SER A 49 10.118 15.337 13.906 1.00 50.21 C ATOM 701 O SER A 49 11.331 15.448 14.084 1.00 20.34 O ATOM 702 CB SER A 49 9.390 15.741 11.547 1.00 73.42 C ATOM 703 OG SER A 49 10.301 15.531 10.482 1.00 23.23 O ATOM 0 H SER A 49 7.487 14.473 12.500 1.00 51.53 H new ATOM 0 HA SER A 49 10.281 13.936 12.300 1.00 61.05 H new ATOM 0 HB2 SER A 49 8.369 15.707 11.168 1.00 73.42 H new ATOM 0 HB3 SER A 49 9.541 16.735 11.968 1.00 73.42 H new ATOM 0 HG SER A 49 11.114 16.054 10.639 1.00 23.23 H new ATOM 709 N VAL A 50 9.216 15.767 14.782 1.00 11.45 N ATOM 710 CA VAL A 50 9.609 16.407 16.032 1.00 31.04 C ATOM 711 C VAL A 50 9.728 15.386 17.158 1.00 14.25 C ATOM 712 O VAL A 50 9.119 14.317 17.109 1.00 30.45 O ATOM 713 CB VAL A 50 8.602 17.497 16.446 1.00 31.41 C ATOM 714 CG1 VAL A 50 8.261 18.386 15.261 1.00 53.45 C ATOM 715 CG2 VAL A 50 7.346 16.867 17.030 1.00 41.04 C ATOM 0 H VAL A 50 8.208 15.684 14.649 1.00 11.45 H new ATOM 0 HA VAL A 50 10.581 16.868 15.859 1.00 31.04 H new ATOM 0 HB VAL A 50 9.061 18.118 17.215 1.00 31.41 H new ATOM 0 HG11 VAL A 50 7.549 19.150 15.572 1.00 53.45 H new ATOM 0 HG12 VAL A 50 9.168 18.865 14.892 1.00 53.45 H new ATOM 0 HG13 VAL A 50 7.821 17.782 14.467 1.00 53.45 H new ATOM 0 HG21 VAL A 50 6.645 17.651 17.317 1.00 41.04 H new ATOM 0 HG22 VAL A 50 6.882 16.221 16.284 1.00 41.04 H new ATOM 0 HG23 VAL A 50 7.609 16.277 17.908 1.00 41.04 H new ATOM 725 N THR A 51 10.516 15.723 18.175 1.00 53.12 N ATOM 726 CA THR A 51 10.715 14.836 19.314 1.00 44.22 C ATOM 727 C THR A 51 9.866 15.269 20.503 1.00 35.41 C ATOM 728 O THR A 51 9.757 16.458 20.800 1.00 2.24 O ATOM 729 CB THR A 51 12.195 14.796 19.742 1.00 75.00 C ATOM 730 OG1 THR A 51 13.022 15.319 18.697 1.00 74.15 O ATOM 731 CG2 THR A 51 12.624 13.374 20.072 1.00 11.41 C ATOM 0 H THR A 51 11.027 16.604 18.232 1.00 53.12 H new ATOM 0 HA THR A 51 10.409 13.839 18.996 1.00 44.22 H new ATOM 0 HB THR A 51 12.309 15.410 20.635 1.00 75.00 H new ATOM 0 HG1 THR A 51 13.960 15.292 18.978 1.00 74.15 H new ATOM 0 HG21 THR A 51 13.672 13.370 20.371 1.00 11.41 H new ATOM 0 HG22 THR A 51 12.012 12.989 20.888 1.00 11.41 H new ATOM 0 HG23 THR A 51 12.496 12.742 19.193 1.00 11.41 H new ATOM 739 N TRP A 52 9.265 14.296 21.180 1.00 43.33 N ATOM 740 CA TRP A 52 8.425 14.578 22.338 1.00 31.51 C ATOM 741 C TRP A 52 9.137 14.200 23.632 1.00 5.11 C ATOM 742 O TRP A 52 9.758 13.141 23.724 1.00 60.15 O ATOM 743 CB TRP A 52 7.101 13.819 22.230 1.00 23.41 C ATOM 744 CG TRP A 52 6.134 14.445 21.272 1.00 71.11 C ATOM 745 CD1 TRP A 52 5.318 15.513 21.512 1.00 13.12 C ATOM 746 CD2 TRP A 52 5.881 14.040 19.922 1.00 20.11 C ATOM 747 NE1 TRP A 52 4.572 15.796 20.393 1.00 4.51 N ATOM 748 CE2 TRP A 52 4.900 14.908 19.404 1.00 61.34 C ATOM 749 CE3 TRP A 52 6.389 13.030 19.100 1.00 0.24 C ATOM 750 CZ2 TRP A 52 4.419 14.794 18.102 1.00 35.42 C ATOM 751 CZ3 TRP A 52 5.910 12.918 17.809 1.00 11.02 C ATOM 752 CH2 TRP A 52 4.933 13.796 17.320 1.00 64.11 C ATOM 0 H TRP A 52 9.344 13.306 20.947 1.00 43.33 H new ATOM 0 HA TRP A 52 8.222 15.649 22.356 1.00 31.51 H new ATOM 0 HB2 TRP A 52 7.302 12.795 21.915 1.00 23.41 H new ATOM 0 HB3 TRP A 52 6.640 13.764 23.216 1.00 23.41 H new ATOM 0 HD1 TRP A 52 5.266 16.056 22.444 1.00 13.12 H new ATOM 0 HE1 TRP A 52 3.885 16.546 20.312 1.00 4.51 H new ATOM 0 HE3 TRP A 52 7.143 12.349 19.468 1.00 0.24 H new ATOM 0 HZ2 TRP A 52 3.667 15.470 17.723 1.00 35.42 H new ATOM 0 HZ3 TRP A 52 6.295 12.141 17.166 1.00 11.02 H new ATOM 0 HH2 TRP A 52 4.579 13.682 16.306 1.00 64.11 H new ATOM 763 N SER A 53 9.044 15.073 24.630 1.00 22.34 N ATOM 764 CA SER A 53 9.683 14.832 25.919 1.00 65.44 C ATOM 765 C SER A 53 8.794 15.306 27.064 1.00 72.32 C ATOM 766 O SER A 53 8.428 16.479 27.135 1.00 32.24 O ATOM 767 CB SER A 53 11.037 15.542 25.981 1.00 12.42 C ATOM 768 OG SER A 53 12.096 14.650 25.683 1.00 70.34 O ATOM 0 H SER A 53 8.532 15.953 24.571 1.00 22.34 H new ATOM 0 HA SER A 53 9.838 13.758 26.024 1.00 65.44 H new ATOM 0 HB2 SER A 53 11.048 16.373 25.275 1.00 12.42 H new ATOM 0 HB3 SER A 53 11.183 15.966 26.974 1.00 12.42 H new ATOM 0 HG SER A 53 12.950 15.129 25.728 1.00 70.34 H new ATOM 774 N SER A 54 8.450 14.384 27.958 1.00 54.41 N ATOM 775 CA SER A 54 7.600 14.706 29.098 1.00 33.23 C ATOM 776 C SER A 54 8.334 14.452 30.412 1.00 74.15 C ATOM 777 O SER A 54 9.252 13.635 30.474 1.00 44.10 O ATOM 778 CB SER A 54 6.313 13.879 29.052 1.00 63.03 C ATOM 779 OG SER A 54 6.146 13.267 27.785 1.00 61.14 O ATOM 0 H SER A 54 8.747 13.409 27.915 1.00 54.41 H new ATOM 0 HA SER A 54 7.346 15.764 29.042 1.00 33.23 H new ATOM 0 HB2 SER A 54 6.340 13.114 29.828 1.00 63.03 H new ATOM 0 HB3 SER A 54 5.457 14.520 29.266 1.00 63.03 H new ATOM 0 HG SER A 54 5.248 13.460 27.444 1.00 61.14 H new ATOM 785 N SER A 55 7.921 15.158 31.459 1.00 12.31 N ATOM 786 CA SER A 55 8.541 15.013 32.771 1.00 14.30 C ATOM 787 C SER A 55 8.244 13.639 33.363 1.00 33.12 C ATOM 788 O SER A 55 9.002 13.129 34.186 1.00 24.33 O ATOM 789 CB SER A 55 8.043 16.107 33.717 1.00 13.34 C ATOM 790 OG SER A 55 9.078 17.024 34.027 1.00 41.02 O ATOM 0 H SER A 55 7.160 15.836 31.425 1.00 12.31 H new ATOM 0 HA SER A 55 9.620 15.111 32.649 1.00 14.30 H new ATOM 0 HB2 SER A 55 7.209 16.637 33.258 1.00 13.34 H new ATOM 0 HB3 SER A 55 7.667 15.655 34.635 1.00 13.34 H new ATOM 0 HG SER A 55 8.733 17.714 34.632 1.00 41.02 H new ATOM 796 N ASN A 56 7.133 13.045 32.937 1.00 3.44 N ATOM 797 CA ASN A 56 6.734 11.730 33.425 1.00 3.23 C ATOM 798 C ASN A 56 6.799 10.693 32.308 1.00 22.03 C ATOM 799 O ASN A 56 6.138 10.833 31.280 1.00 60.32 O ATOM 800 CB ASN A 56 5.319 11.786 34.003 1.00 31.45 C ATOM 801 CG ASN A 56 4.566 13.028 33.570 1.00 14.42 C ATOM 802 OD1 ASN A 56 4.455 13.317 32.378 1.00 35.45 O ATOM 803 ND2 ASN A 56 4.044 13.772 34.539 1.00 32.31 N ATOM 0 H ASN A 56 6.494 13.454 32.255 1.00 3.44 H new ATOM 0 HA ASN A 56 7.429 11.435 34.211 1.00 3.23 H new ATOM 0 HB2 ASN A 56 4.766 10.901 33.688 1.00 31.45 H new ATOM 0 HB3 ASN A 56 5.373 11.758 35.091 1.00 31.45 H new ATOM 0 HD21 ASN A 56 3.527 14.620 34.308 1.00 32.31 H new ATOM 0 HD22 ASN A 56 4.160 13.495 35.514 1.00 32.31 H new ATOM 810 N GLN A 57 7.600 9.653 32.519 1.00 11.34 N ATOM 811 CA GLN A 57 7.751 8.593 31.530 1.00 32.22 C ATOM 812 C GLN A 57 6.490 7.738 31.452 1.00 23.21 C ATOM 813 O GLN A 57 6.320 6.949 30.523 1.00 62.23 O ATOM 814 CB GLN A 57 8.956 7.715 31.872 1.00 2.23 C ATOM 815 CG GLN A 57 9.761 7.286 30.656 1.00 1.31 C ATOM 816 CD GLN A 57 9.733 5.787 30.437 1.00 70.40 C ATOM 817 OE1 GLN A 57 10.213 5.017 31.269 1.00 24.23 O ATOM 818 NE2 GLN A 57 9.168 5.363 29.312 1.00 22.13 N ATOM 0 H GLN A 57 8.154 9.522 33.366 1.00 11.34 H new ATOM 0 HA GLN A 57 7.914 9.058 30.558 1.00 32.22 H new ATOM 0 HB2 GLN A 57 9.608 8.258 32.556 1.00 2.23 H new ATOM 0 HB3 GLN A 57 8.609 6.827 32.400 1.00 2.23 H new ATOM 0 HG2 GLN A 57 9.369 7.786 29.770 1.00 1.31 H new ATOM 0 HG3 GLN A 57 10.794 7.613 30.775 1.00 1.31 H new ATOM 0 HE21 GLN A 57 8.782 6.036 28.650 1.00 22.13 H new ATOM 0 HE22 GLN A 57 9.120 4.364 29.110 1.00 22.13 H new ATOM 827 N SER A 58 5.609 7.900 32.434 1.00 25.23 N ATOM 828 CA SER A 58 4.366 7.140 32.479 1.00 71.41 C ATOM 829 C SER A 58 3.325 7.746 31.543 1.00 72.43 C ATOM 830 O SER A 58 2.599 7.027 30.857 1.00 61.54 O ATOM 831 CB SER A 58 3.820 7.097 33.908 1.00 44.24 C ATOM 832 OG SER A 58 4.555 6.186 34.707 1.00 12.41 O ATOM 0 H SER A 58 5.733 8.551 33.209 1.00 25.23 H new ATOM 0 HA SER A 58 4.579 6.123 32.149 1.00 71.41 H new ATOM 0 HB2 SER A 58 3.867 8.093 34.349 1.00 44.24 H new ATOM 0 HB3 SER A 58 2.770 6.806 33.891 1.00 44.24 H new ATOM 0 HG SER A 58 4.188 6.178 35.616 1.00 12.41 H new ATOM 838 N GLN A 59 3.259 9.073 31.521 1.00 32.13 N ATOM 839 CA GLN A 59 2.306 9.776 30.670 1.00 4.22 C ATOM 840 C GLN A 59 2.976 10.262 29.389 1.00 5.54 C ATOM 841 O GLN A 59 2.328 10.845 28.521 1.00 60.24 O ATOM 842 CB GLN A 59 1.696 10.961 31.422 1.00 63.51 C ATOM 843 CG GLN A 59 1.880 10.884 32.929 1.00 11.30 C ATOM 844 CD GLN A 59 0.848 11.698 33.685 1.00 75.34 C ATOM 845 OE1 GLN A 59 0.055 12.425 33.086 1.00 14.44 O ATOM 846 NE2 GLN A 59 0.852 11.578 35.007 1.00 13.31 N ATOM 0 H GLN A 59 3.854 9.683 32.082 1.00 32.13 H new ATOM 0 HA GLN A 59 1.513 9.078 30.401 1.00 4.22 H new ATOM 0 HB2 GLN A 59 2.146 11.884 31.056 1.00 63.51 H new ATOM 0 HB3 GLN A 59 0.631 11.015 31.196 1.00 63.51 H new ATOM 0 HG2 GLN A 59 1.819 9.843 33.246 1.00 11.30 H new ATOM 0 HG3 GLN A 59 2.878 11.238 33.188 1.00 11.30 H new ATOM 0 HE21 GLN A 59 1.528 10.964 35.461 1.00 13.31 H new ATOM 0 HE22 GLN A 59 0.179 12.100 35.569 1.00 13.31 H new ATOM 855 N ALA A 60 4.279 10.020 29.280 1.00 75.43 N ATOM 856 CA ALA A 60 5.036 10.431 28.104 1.00 10.34 C ATOM 857 C ALA A 60 4.765 9.504 26.924 1.00 3.14 C ATOM 858 O ALA A 60 5.660 8.799 26.457 1.00 30.13 O ATOM 859 CB ALA A 60 6.524 10.465 28.421 1.00 51.52 C ATOM 0 H ALA A 60 4.831 9.542 29.992 1.00 75.43 H new ATOM 0 HA ALA A 60 4.712 11.434 27.825 1.00 10.34 H new ATOM 0 HB1 ALA A 60 7.078 10.773 27.534 1.00 51.52 H new ATOM 0 HB2 ALA A 60 6.708 11.174 29.228 1.00 51.52 H new ATOM 0 HB3 ALA A 60 6.853 9.472 28.728 1.00 51.52 H new ATOM 865 N LYS A 61 3.526 9.509 26.446 1.00 14.13 N ATOM 866 CA LYS A 61 3.136 8.669 25.320 1.00 41.10 C ATOM 867 C LYS A 61 2.659 9.519 24.147 1.00 54.11 C ATOM 868 O LYS A 61 1.965 10.519 24.334 1.00 43.25 O ATOM 869 CB LYS A 61 2.033 7.696 25.741 1.00 74.32 C ATOM 870 CG LYS A 61 2.306 6.256 25.340 1.00 11.42 C ATOM 871 CD LYS A 61 3.117 5.528 26.398 1.00 22.53 C ATOM 872 CE LYS A 61 3.141 4.028 26.147 1.00 20.42 C ATOM 873 NZ LYS A 61 2.388 3.278 27.191 1.00 41.40 N ATOM 0 H LYS A 61 2.773 10.086 26.821 1.00 14.13 H new ATOM 0 HA LYS A 61 4.011 8.101 25.002 1.00 41.10 H new ATOM 0 HB2 LYS A 61 1.910 7.746 26.823 1.00 74.32 H new ATOM 0 HB3 LYS A 61 1.090 8.015 25.298 1.00 74.32 H new ATOM 0 HG2 LYS A 61 1.361 5.736 25.182 1.00 11.42 H new ATOM 0 HG3 LYS A 61 2.843 6.237 24.391 1.00 11.42 H new ATOM 0 HD2 LYS A 61 4.137 5.913 26.405 1.00 22.53 H new ATOM 0 HD3 LYS A 61 2.694 5.727 27.383 1.00 22.53 H new ATOM 0 HE2 LYS A 61 2.712 3.817 25.168 1.00 20.42 H new ATOM 0 HE3 LYS A 61 4.174 3.680 26.124 1.00 20.42 H new ATOM 0 HZ1 LYS A 61 2.428 2.260 26.984 1.00 41.40 H new ATOM 0 HZ2 LYS A 61 2.813 3.459 28.123 1.00 41.40 H new ATOM 0 HZ3 LYS A 61 1.396 3.591 27.196 1.00 41.40 H new ATOM 887 N VAL A 62 3.033 9.114 22.937 1.00 33.04 N ATOM 888 CA VAL A 62 2.640 9.837 21.734 1.00 44.04 C ATOM 889 C VAL A 62 2.182 8.878 20.641 1.00 32.42 C ATOM 890 O VAL A 62 2.746 7.797 20.473 1.00 21.30 O ATOM 891 CB VAL A 62 3.798 10.697 21.193 1.00 0.42 C ATOM 892 CG1 VAL A 62 3.970 11.952 22.036 1.00 73.00 C ATOM 893 CG2 VAL A 62 5.087 9.891 21.154 1.00 23.10 C ATOM 0 H VAL A 62 3.608 8.289 22.765 1.00 33.04 H new ATOM 0 HA VAL A 62 1.812 10.488 22.013 1.00 44.04 H new ATOM 0 HB VAL A 62 3.556 11.002 20.175 1.00 0.42 H new ATOM 0 HG11 VAL A 62 4.792 12.547 21.639 1.00 73.00 H new ATOM 0 HG12 VAL A 62 3.051 12.538 22.008 1.00 73.00 H new ATOM 0 HG13 VAL A 62 4.190 11.671 23.066 1.00 73.00 H new ATOM 0 HG21 VAL A 62 5.894 10.514 20.769 1.00 23.10 H new ATOM 0 HG22 VAL A 62 5.336 9.555 22.160 1.00 23.10 H new ATOM 0 HG23 VAL A 62 4.956 9.026 20.504 1.00 23.10 H new ATOM 903 N SER A 63 1.155 9.281 19.900 1.00 35.32 N ATOM 904 CA SER A 63 0.617 8.455 18.825 1.00 41.21 C ATOM 905 C SER A 63 1.229 8.846 17.483 1.00 74.32 C ATOM 906 O SER A 63 0.523 8.989 16.485 1.00 1.13 O ATOM 907 CB SER A 63 -0.906 8.589 18.763 1.00 44.42 C ATOM 908 OG SER A 63 -1.487 7.489 18.085 1.00 12.03 O ATOM 0 H SER A 63 0.679 10.174 20.024 1.00 35.32 H new ATOM 0 HA SER A 63 0.874 7.417 19.034 1.00 41.21 H new ATOM 0 HB2 SER A 63 -1.310 8.652 19.773 1.00 44.42 H new ATOM 0 HB3 SER A 63 -1.172 9.516 18.255 1.00 44.42 H new ATOM 0 HG SER A 63 -1.108 7.423 17.183 1.00 12.03 H new ATOM 914 N ASN A 64 2.547 9.016 17.467 1.00 13.34 N ATOM 915 CA ASN A 64 3.255 9.391 16.249 1.00 73.13 C ATOM 916 C ASN A 64 3.303 8.224 15.267 1.00 53.00 C ATOM 917 O ASN A 64 4.290 7.491 15.206 1.00 55.32 O ATOM 918 CB ASN A 64 4.675 9.852 16.581 1.00 65.54 C ATOM 919 CG ASN A 64 5.358 8.944 17.586 1.00 74.32 C ATOM 920 OD1 ASN A 64 5.076 7.747 17.650 1.00 52.05 O ATOM 921 ND2 ASN A 64 6.260 9.511 18.378 1.00 63.23 N ATOM 0 H ASN A 64 3.146 8.900 18.284 1.00 13.34 H new ATOM 0 HA ASN A 64 2.714 10.214 15.782 1.00 73.13 H new ATOM 0 HB2 ASN A 64 5.266 9.886 15.666 1.00 65.54 H new ATOM 0 HB3 ASN A 64 4.641 10.867 16.977 1.00 65.54 H new ATOM 0 HD21 ASN A 64 6.751 8.951 19.075 1.00 63.23 H new ATOM 0 HD22 ASN A 64 6.462 10.507 18.290 1.00 63.23 H new ATOM 928 N ALA A 65 2.230 8.058 14.500 1.00 11.52 N ATOM 929 CA ALA A 65 2.151 6.983 13.520 1.00 55.05 C ATOM 930 C ALA A 65 1.903 7.534 12.119 1.00 11.13 C ATOM 931 O ALA A 65 2.556 7.129 11.158 1.00 23.00 O ATOM 932 CB ALA A 65 1.055 5.999 13.903 1.00 42.01 C ATOM 0 H ALA A 65 1.404 8.655 14.539 1.00 11.52 H new ATOM 0 HA ALA A 65 3.108 6.461 13.513 1.00 55.05 H new ATOM 0 HB1 ALA A 65 1.007 5.201 13.162 1.00 42.01 H new ATOM 0 HB2 ALA A 65 1.275 5.573 14.882 1.00 42.01 H new ATOM 0 HB3 ALA A 65 0.097 6.518 13.940 1.00 42.01 H new ATOM 938 N SER A 66 0.955 8.459 12.012 1.00 52.43 N ATOM 939 CA SER A 66 0.618 9.063 10.728 1.00 72.34 C ATOM 940 C SER A 66 1.489 10.285 10.456 1.00 2.34 C ATOM 941 O SER A 66 1.484 10.831 9.354 1.00 45.13 O ATOM 942 CB SER A 66 -0.860 9.459 10.698 1.00 23.33 C ATOM 943 OG SER A 66 -1.695 8.317 10.777 1.00 74.14 O ATOM 0 H SER A 66 0.407 8.807 12.799 1.00 52.43 H new ATOM 0 HA SER A 66 0.805 8.325 9.948 1.00 72.34 H new ATOM 0 HB2 SER A 66 -1.077 10.130 11.529 1.00 23.33 H new ATOM 0 HB3 SER A 66 -1.074 10.008 9.781 1.00 23.33 H new ATOM 0 HG SER A 66 -2.634 8.596 10.758 1.00 74.14 H new ATOM 949 N GLU A 67 2.236 10.709 11.472 1.00 52.05 N ATOM 950 CA GLU A 67 3.112 11.868 11.343 1.00 32.41 C ATOM 951 C GLU A 67 2.302 13.139 11.105 1.00 35.41 C ATOM 952 O GLU A 67 2.843 14.168 10.700 1.00 60.11 O ATOM 953 CB GLU A 67 4.104 11.660 10.197 1.00 40.11 C ATOM 954 CG GLU A 67 4.750 10.285 10.193 1.00 61.23 C ATOM 955 CD GLU A 67 5.998 10.229 9.333 1.00 53.04 C ATOM 956 OE1 GLU A 67 6.316 11.247 8.683 1.00 13.31 O ATOM 957 OE2 GLU A 67 6.655 9.168 9.308 1.00 24.05 O ATOM 0 H GLU A 67 2.252 10.268 12.392 1.00 52.05 H new ATOM 0 HA GLU A 67 3.664 11.980 12.276 1.00 32.41 H new ATOM 0 HB2 GLU A 67 3.588 11.812 9.249 1.00 40.11 H new ATOM 0 HB3 GLU A 67 4.884 12.418 10.261 1.00 40.11 H new ATOM 0 HG2 GLU A 67 5.005 10.004 11.215 1.00 61.23 H new ATOM 0 HG3 GLU A 67 4.030 9.551 9.831 1.00 61.23 H new ATOM 964 N THR A 68 0.999 13.059 11.359 1.00 11.42 N ATOM 965 CA THR A 68 0.113 14.201 11.171 1.00 12.14 C ATOM 966 C THR A 68 -0.741 14.444 12.410 1.00 35.34 C ATOM 967 O THR A 68 -1.582 15.343 12.432 1.00 44.41 O ATOM 968 CB THR A 68 -0.812 14.001 9.956 1.00 65.14 C ATOM 969 OG1 THR A 68 -1.833 13.047 10.268 1.00 24.14 O ATOM 970 CG2 THR A 68 -0.020 13.526 8.746 1.00 30.04 C ATOM 0 H THR A 68 0.535 12.215 11.695 1.00 11.42 H new ATOM 0 HA THR A 68 0.749 15.068 10.995 1.00 12.14 H new ATOM 0 HB THR A 68 -1.273 14.959 9.717 1.00 65.14 H new ATOM 0 HG1 THR A 68 -2.417 12.927 9.491 1.00 24.14 H new ATOM 0 HG21 THR A 68 -0.694 13.392 7.900 1.00 30.04 H new ATOM 0 HG22 THR A 68 0.737 14.268 8.492 1.00 30.04 H new ATOM 0 HG23 THR A 68 0.465 12.578 8.978 1.00 30.04 H new ATOM 978 N LYS A 69 -0.522 13.636 13.442 1.00 5.03 N ATOM 979 CA LYS A 69 -1.270 13.763 14.687 1.00 3.53 C ATOM 980 C LYS A 69 -0.415 14.412 15.772 1.00 52.45 C ATOM 981 O LYS A 69 -0.560 15.599 16.062 1.00 1.11 O ATOM 982 CB LYS A 69 -1.754 12.390 15.158 1.00 3.23 C ATOM 983 CG LYS A 69 -3.144 12.032 14.662 1.00 1.21 C ATOM 984 CD LYS A 69 -3.186 10.626 14.089 1.00 34.51 C ATOM 985 CE LYS A 69 -4.175 10.522 12.938 1.00 44.45 C ATOM 986 NZ LYS A 69 -4.980 9.272 13.008 1.00 31.12 N ATOM 0 H LYS A 69 0.168 12.885 13.440 1.00 5.03 H new ATOM 0 HA LYS A 69 -2.134 14.401 14.499 1.00 3.53 H new ATOM 0 HB2 LYS A 69 -1.050 11.630 14.820 1.00 3.23 H new ATOM 0 HB3 LYS A 69 -1.749 12.366 16.248 1.00 3.23 H new ATOM 0 HG2 LYS A 69 -3.856 12.113 15.483 1.00 1.21 H new ATOM 0 HG3 LYS A 69 -3.454 12.746 13.899 1.00 1.21 H new ATOM 0 HD2 LYS A 69 -2.192 10.343 13.742 1.00 34.51 H new ATOM 0 HD3 LYS A 69 -3.463 9.921 14.873 1.00 34.51 H new ATOM 0 HE2 LYS A 69 -4.842 11.384 12.953 1.00 44.45 H new ATOM 0 HE3 LYS A 69 -3.635 10.553 11.992 1.00 44.45 H new ATOM 0 HZ1 LYS A 69 -5.641 9.240 12.206 1.00 31.12 H new ATOM 0 HZ2 LYS A 69 -4.346 8.448 12.968 1.00 31.12 H new ATOM 0 HZ3 LYS A 69 -5.516 9.253 13.899 1.00 31.12 H new ATOM 1000 N GLY A 70 0.477 13.626 16.366 1.00 72.30 N ATOM 1001 CA GLY A 70 1.342 14.142 17.410 1.00 1.13 C ATOM 1002 C GLY A 70 0.691 14.097 18.778 1.00 33.42 C ATOM 1003 O GLY A 70 1.325 14.407 19.787 1.00 4.31 O ATOM 0 H GLY A 70 0.616 12.641 16.143 1.00 72.30 H new ATOM 0 HA2 GLY A 70 2.265 13.563 17.431 1.00 1.13 H new ATOM 0 HA3 GLY A 70 1.616 15.171 17.175 1.00 1.13 H new ATOM 1007 N LEU A 71 -0.580 13.710 18.814 1.00 2.30 N ATOM 1008 CA LEU A 71 -1.319 13.627 20.069 1.00 60.21 C ATOM 1009 C LEU A 71 -0.516 12.875 21.125 1.00 25.12 C ATOM 1010 O LEU A 71 0.398 12.116 20.802 1.00 43.14 O ATOM 1011 CB LEU A 71 -2.664 12.934 19.846 1.00 33.30 C ATOM 1012 CG LEU A 71 -2.605 11.533 19.234 1.00 2.55 C ATOM 1013 CD1 LEU A 71 -3.049 10.489 20.247 1.00 12.50 C ATOM 1014 CD2 LEU A 71 -3.464 11.462 17.980 1.00 3.33 C ATOM 0 H LEU A 71 -1.120 13.449 17.989 1.00 2.30 H new ATOM 0 HA LEU A 71 -1.494 14.642 20.427 1.00 60.21 H new ATOM 0 HB2 LEU A 71 -3.179 12.869 20.804 1.00 33.30 H new ATOM 0 HB3 LEU A 71 -3.273 13.566 19.199 1.00 33.30 H new ATOM 0 HG LEU A 71 -1.573 11.322 18.955 1.00 2.55 H new ATOM 0 HD11 LEU A 71 -3.001 9.499 19.794 1.00 12.50 H new ATOM 0 HD12 LEU A 71 -2.392 10.523 21.116 1.00 12.50 H new ATOM 0 HD13 LEU A 71 -4.073 10.696 20.558 1.00 12.50 H new ATOM 0 HD21 LEU A 71 -3.410 10.458 17.558 1.00 3.33 H new ATOM 0 HD22 LEU A 71 -4.498 11.694 18.234 1.00 3.33 H new ATOM 0 HD23 LEU A 71 -3.100 12.183 17.248 1.00 3.33 H new ATOM 1026 N VAL A 72 -0.864 13.089 22.390 1.00 41.20 N ATOM 1027 CA VAL A 72 -0.178 12.429 23.494 1.00 4.43 C ATOM 1028 C VAL A 72 -1.170 11.934 24.540 1.00 22.14 C ATOM 1029 O VAL A 72 -2.130 12.627 24.880 1.00 61.43 O ATOM 1030 CB VAL A 72 0.835 13.373 24.170 1.00 42.03 C ATOM 1031 CG1 VAL A 72 1.766 13.986 23.135 1.00 41.42 C ATOM 1032 CG2 VAL A 72 0.112 14.456 24.956 1.00 32.53 C ATOM 0 H VAL A 72 -1.617 13.715 22.676 1.00 41.20 H new ATOM 0 HA VAL A 72 0.355 11.578 23.071 1.00 4.43 H new ATOM 0 HB VAL A 72 1.438 12.791 24.867 1.00 42.03 H new ATOM 0 HG11 VAL A 72 2.474 14.650 23.631 1.00 41.42 H new ATOM 0 HG12 VAL A 72 2.310 13.194 22.620 1.00 41.42 H new ATOM 0 HG13 VAL A 72 1.182 14.554 22.411 1.00 41.42 H new ATOM 0 HG21 VAL A 72 0.843 15.113 25.427 1.00 32.53 H new ATOM 0 HG22 VAL A 72 -0.517 15.037 24.281 1.00 32.53 H new ATOM 0 HG23 VAL A 72 -0.509 13.995 25.724 1.00 32.53 H new ATOM 1042 N THR A 73 -0.932 10.729 25.050 1.00 1.31 N ATOM 1043 CA THR A 73 -1.804 10.140 26.058 1.00 75.34 C ATOM 1044 C THR A 73 -1.101 10.045 27.407 1.00 61.54 C ATOM 1045 O THR A 73 0.121 9.919 27.473 1.00 61.32 O ATOM 1046 CB THR A 73 -2.278 8.735 25.638 1.00 11.32 C ATOM 1047 OG1 THR A 73 -2.347 8.648 24.211 1.00 73.44 O ATOM 1048 CG2 THR A 73 -3.641 8.423 26.237 1.00 30.42 C ATOM 0 H THR A 73 -0.142 10.142 24.781 1.00 1.31 H new ATOM 0 HA THR A 73 -2.670 10.796 26.149 1.00 75.34 H new ATOM 0 HB THR A 73 -1.559 8.006 26.011 1.00 11.32 H new ATOM 0 HG1 THR A 73 -2.523 7.720 23.948 1.00 73.44 H new ATOM 0 HG21 THR A 73 -3.955 7.426 25.927 1.00 30.42 H new ATOM 0 HG22 THR A 73 -3.578 8.462 27.324 1.00 30.42 H new ATOM 0 HG23 THR A 73 -4.368 9.157 25.889 1.00 30.42 H new ATOM 1056 N GLY A 74 -1.881 10.105 28.482 1.00 72.25 N ATOM 1057 CA GLY A 74 -1.314 10.023 29.815 1.00 15.20 C ATOM 1058 C GLY A 74 -1.842 8.837 30.598 1.00 54.33 C ATOM 1059 O GLY A 74 -2.955 8.370 30.354 1.00 52.12 O ATOM 0 H GLY A 74 -2.895 10.209 28.453 1.00 72.25 H new ATOM 0 HA2 GLY A 74 -0.229 9.952 29.741 1.00 15.20 H new ATOM 0 HA3 GLY A 74 -1.537 10.941 30.358 1.00 15.20 H new ATOM 1063 N ILE A 75 -1.042 8.348 31.539 1.00 13.31 N ATOM 1064 CA ILE A 75 -1.436 7.209 32.359 1.00 5.22 C ATOM 1065 C ILE A 75 -1.861 7.657 33.753 1.00 32.55 C ATOM 1066 O ILE A 75 -2.879 7.205 34.278 1.00 63.44 O ATOM 1067 CB ILE A 75 -0.291 6.186 32.487 1.00 14.24 C ATOM 1068 CG1 ILE A 75 0.083 5.632 31.111 1.00 3.23 C ATOM 1069 CG2 ILE A 75 -0.692 5.059 33.427 1.00 21.22 C ATOM 1070 CD1 ILE A 75 -1.044 4.885 30.433 1.00 1.42 C ATOM 0 H ILE A 75 -0.118 8.722 31.753 1.00 13.31 H new ATOM 0 HA ILE A 75 -2.281 6.736 31.859 1.00 5.22 H new ATOM 0 HB ILE A 75 0.582 6.688 32.904 1.00 14.24 H new ATOM 0 HG12 ILE A 75 0.399 6.455 30.471 1.00 3.23 H new ATOM 0 HG13 ILE A 75 0.938 4.964 31.217 1.00 3.23 H new ATOM 0 HG21 ILE A 75 0.127 4.344 33.508 1.00 21.22 H new ATOM 0 HG22 ILE A 75 -0.914 5.469 34.412 1.00 21.22 H new ATOM 0 HG23 ILE A 75 -1.576 4.556 33.035 1.00 21.22 H new ATOM 0 HD11 ILE A 75 -0.707 4.521 29.462 1.00 1.42 H new ATOM 0 HD12 ILE A 75 -1.345 4.041 31.053 1.00 1.42 H new ATOM 0 HD13 ILE A 75 -1.893 5.555 30.294 1.00 1.42 H new ATOM 1082 N ALA A 76 -1.076 8.549 34.348 1.00 20.31 N ATOM 1083 CA ALA A 76 -1.373 9.061 35.680 1.00 34.41 C ATOM 1084 C ALA A 76 -1.822 10.517 35.621 1.00 23.11 C ATOM 1085 O ALA A 76 -1.821 11.134 34.556 1.00 73.22 O ATOM 1086 CB ALA A 76 -0.158 8.917 36.584 1.00 32.43 C ATOM 0 H ALA A 76 -0.229 8.932 33.928 1.00 20.31 H new ATOM 0 HA ALA A 76 -2.192 8.473 36.094 1.00 34.41 H new ATOM 0 HB1 ALA A 76 -0.394 9.303 37.575 1.00 32.43 H new ATOM 0 HB2 ALA A 76 0.116 7.865 36.660 1.00 32.43 H new ATOM 0 HB3 ALA A 76 0.676 9.480 36.165 1.00 32.43 H new ATOM 1092 N SER A 77 -2.205 11.061 36.772 1.00 25.40 N ATOM 1093 CA SER A 77 -2.660 12.444 36.850 1.00 21.30 C ATOM 1094 C SER A 77 -1.486 13.389 37.087 1.00 14.32 C ATOM 1095 O SER A 77 -0.327 12.978 37.057 1.00 52.33 O ATOM 1096 CB SER A 77 -3.691 12.601 37.969 1.00 3.15 C ATOM 1097 OG SER A 77 -3.090 12.436 39.242 1.00 35.45 O ATOM 0 H SER A 77 -2.209 10.565 37.663 1.00 25.40 H new ATOM 0 HA SER A 77 -3.125 12.703 35.899 1.00 21.30 H new ATOM 0 HB2 SER A 77 -4.153 13.586 37.906 1.00 3.15 H new ATOM 0 HB3 SER A 77 -4.486 11.867 37.841 1.00 3.15 H new ATOM 0 HG SER A 77 -3.769 12.542 39.941 1.00 35.45 H new ATOM 1103 N GLY A 78 -1.797 14.660 37.324 1.00 50.41 N ATOM 1104 CA GLY A 78 -0.759 15.646 37.563 1.00 63.33 C ATOM 1105 C GLY A 78 -0.633 16.643 36.428 1.00 72.43 C ATOM 1106 O GLY A 78 -1.598 16.900 35.710 1.00 52.04 O ATOM 0 H GLY A 78 -2.749 15.024 37.355 1.00 50.41 H new ATOM 0 HA2 GLY A 78 -0.975 16.179 38.489 1.00 63.33 H new ATOM 0 HA3 GLY A 78 0.195 15.138 37.703 1.00 63.33 H new ATOM 1110 N ASN A 79 0.560 17.206 36.267 1.00 55.44 N ATOM 1111 CA ASN A 79 0.807 18.183 35.212 1.00 61.20 C ATOM 1112 C ASN A 79 1.797 17.638 34.187 1.00 24.34 C ATOM 1113 O ASN A 79 2.952 18.061 34.117 1.00 75.34 O ATOM 1114 CB ASN A 79 1.340 19.486 35.810 1.00 5.20 C ATOM 1115 CG ASN A 79 2.381 19.245 36.887 1.00 40.14 C ATOM 1116 OD1 ASN A 79 2.048 18.904 38.022 1.00 63.33 O ATOM 1117 ND2 ASN A 79 3.649 19.422 36.534 1.00 10.50 N ATOM 0 H ASN A 79 1.370 17.003 36.853 1.00 55.44 H new ATOM 0 HA ASN A 79 -0.138 18.383 34.707 1.00 61.20 H new ATOM 0 HB2 ASN A 79 1.775 20.095 35.018 1.00 5.20 H new ATOM 0 HB3 ASN A 79 0.511 20.055 36.231 1.00 5.20 H new ATOM 0 HD21 ASN A 79 4.393 19.275 37.216 1.00 10.50 H new ATOM 0 HD22 ASN A 79 3.878 19.705 35.581 1.00 10.50 H new ATOM 1124 N PRO A 80 1.337 16.676 33.373 1.00 4.13 N ATOM 1125 CA PRO A 80 2.166 16.053 32.337 1.00 71.01 C ATOM 1126 C PRO A 80 2.478 17.010 31.191 1.00 21.33 C ATOM 1127 O PRO A 80 1.796 17.012 30.166 1.00 34.21 O ATOM 1128 CB PRO A 80 1.301 14.891 31.842 1.00 31.14 C ATOM 1129 CG PRO A 80 -0.098 15.306 32.141 1.00 12.13 C ATOM 1130 CD PRO A 80 -0.027 16.124 33.401 1.00 33.45 C ATOM 0 HA PRO A 80 3.138 15.745 32.723 1.00 71.01 H new ATOM 0 HB2 PRO A 80 1.443 14.718 30.775 1.00 31.14 H new ATOM 0 HB3 PRO A 80 1.556 13.962 32.352 1.00 31.14 H new ATOM 0 HG2 PRO A 80 -0.516 15.889 31.320 1.00 12.13 H new ATOM 0 HG3 PRO A 80 -0.742 14.437 32.275 1.00 12.13 H new ATOM 0 HD2 PRO A 80 -0.779 16.913 33.411 1.00 33.45 H new ATOM 0 HD3 PRO A 80 -0.195 15.512 34.287 1.00 33.45 H new ATOM 1138 N THR A 81 3.515 17.823 31.371 1.00 75.31 N ATOM 1139 CA THR A 81 3.917 18.785 30.353 1.00 72.23 C ATOM 1140 C THR A 81 4.650 18.098 29.206 1.00 21.24 C ATOM 1141 O THR A 81 5.644 17.404 29.421 1.00 62.52 O ATOM 1142 CB THR A 81 4.823 19.882 30.943 1.00 61.51 C ATOM 1143 OG1 THR A 81 4.787 19.830 32.373 1.00 20.45 O ATOM 1144 CG2 THR A 81 4.384 21.259 30.469 1.00 24.02 C ATOM 0 H THR A 81 4.091 17.834 32.213 1.00 75.31 H new ATOM 0 HA THR A 81 3.004 19.244 29.974 1.00 72.23 H new ATOM 0 HB THR A 81 5.842 19.705 30.599 1.00 61.51 H new ATOM 0 HG1 THR A 81 5.367 20.530 32.740 1.00 20.45 H new ATOM 0 HG21 THR A 81 5.038 22.017 30.899 1.00 24.02 H new ATOM 0 HG22 THR A 81 4.441 21.305 29.381 1.00 24.02 H new ATOM 0 HG23 THR A 81 3.358 21.443 30.787 1.00 24.02 H new ATOM 1152 N ILE A 82 4.154 18.296 27.990 1.00 43.32 N ATOM 1153 CA ILE A 82 4.765 17.697 26.810 1.00 75.24 C ATOM 1154 C ILE A 82 5.463 18.750 25.956 1.00 14.44 C ATOM 1155 O ILE A 82 4.816 19.626 25.381 1.00 14.24 O ATOM 1156 CB ILE A 82 3.721 16.963 25.947 1.00 14.21 C ATOM 1157 CG1 ILE A 82 2.820 16.094 26.827 1.00 62.40 C ATOM 1158 CG2 ILE A 82 4.410 16.118 24.886 1.00 34.02 C ATOM 1159 CD1 ILE A 82 1.523 16.767 27.216 1.00 52.22 C ATOM 0 H ILE A 82 3.331 18.866 27.796 1.00 43.32 H new ATOM 0 HA ILE A 82 5.501 16.977 27.168 1.00 75.24 H new ATOM 0 HB ILE A 82 3.100 17.705 25.445 1.00 14.21 H new ATOM 0 HG12 ILE A 82 2.595 15.168 26.299 1.00 62.40 H new ATOM 0 HG13 ILE A 82 3.364 15.821 27.732 1.00 62.40 H new ATOM 0 HG21 ILE A 82 3.659 15.606 24.285 1.00 34.02 H new ATOM 0 HG22 ILE A 82 5.013 16.760 24.244 1.00 34.02 H new ATOM 0 HG23 ILE A 82 5.053 15.381 25.368 1.00 34.02 H new ATOM 0 HD11 ILE A 82 0.936 16.092 27.839 1.00 52.22 H new ATOM 0 HD12 ILE A 82 1.739 17.679 27.772 1.00 52.22 H new ATOM 0 HD13 ILE A 82 0.958 17.015 26.317 1.00 52.22 H new ATOM 1171 N ILE A 83 6.786 18.658 25.877 1.00 12.15 N ATOM 1172 CA ILE A 83 7.571 19.602 25.092 1.00 63.42 C ATOM 1173 C ILE A 83 8.004 18.986 23.766 1.00 64.04 C ATOM 1174 O ILE A 83 8.404 17.823 23.710 1.00 14.34 O ATOM 1175 CB ILE A 83 8.821 20.070 25.860 1.00 43.21 C ATOM 1176 CG1 ILE A 83 8.473 21.244 26.777 1.00 34.15 C ATOM 1177 CG2 ILE A 83 9.925 20.460 24.888 1.00 12.30 C ATOM 1178 CD1 ILE A 83 7.351 20.941 27.746 1.00 53.21 C ATOM 0 H ILE A 83 7.337 17.939 26.347 1.00 12.15 H new ATOM 0 HA ILE A 83 6.930 20.462 24.899 1.00 63.42 H new ATOM 0 HB ILE A 83 9.180 19.246 26.476 1.00 43.21 H new ATOM 0 HG12 ILE A 83 9.361 21.531 27.340 1.00 34.15 H new ATOM 0 HG13 ILE A 83 8.193 22.102 26.166 1.00 34.15 H new ATOM 0 HG21 ILE A 83 10.802 20.789 25.446 1.00 12.30 H new ATOM 0 HG22 ILE A 83 10.188 19.600 24.272 1.00 12.30 H new ATOM 0 HG23 ILE A 83 9.577 21.271 24.249 1.00 12.30 H new ATOM 0 HD11 ILE A 83 7.158 21.818 28.364 1.00 53.21 H new ATOM 0 HD12 ILE A 83 6.450 20.683 27.190 1.00 53.21 H new ATOM 0 HD13 ILE A 83 7.636 20.104 28.383 1.00 53.21 H new ATOM 1190 N ALA A 84 7.924 19.775 22.699 1.00 22.11 N ATOM 1191 CA ALA A 84 8.312 19.309 21.373 1.00 34.04 C ATOM 1192 C ALA A 84 9.550 20.044 20.873 1.00 4.24 C ATOM 1193 O ALA A 84 9.580 21.275 20.829 1.00 72.42 O ATOM 1194 CB ALA A 84 7.160 19.485 20.395 1.00 51.12 C ATOM 0 H ALA A 84 7.594 20.740 22.727 1.00 22.11 H new ATOM 0 HA ALA A 84 8.556 18.249 21.444 1.00 34.04 H new ATOM 0 HB1 ALA A 84 7.463 19.133 19.409 1.00 51.12 H new ATOM 0 HB2 ALA A 84 6.301 18.909 20.738 1.00 51.12 H new ATOM 0 HB3 ALA A 84 6.890 20.539 20.337 1.00 51.12 H new ATOM 1200 N THR A 85 10.574 19.283 20.498 1.00 73.11 N ATOM 1201 CA THR A 85 11.816 19.862 20.003 1.00 50.11 C ATOM 1202 C THR A 85 12.088 19.433 18.566 1.00 41.55 C ATOM 1203 O THR A 85 12.187 18.242 18.271 1.00 4.10 O ATOM 1204 CB THR A 85 13.014 19.458 20.883 1.00 60.03 C ATOM 1205 OG1 THR A 85 12.563 18.685 22.000 1.00 75.50 O ATOM 1206 CG2 THR A 85 13.760 20.687 21.379 1.00 42.32 C ATOM 0 H THR A 85 10.567 18.263 20.528 1.00 73.11 H new ATOM 0 HA THR A 85 11.697 20.945 20.040 1.00 50.11 H new ATOM 0 HB THR A 85 13.695 18.859 20.278 1.00 60.03 H new ATOM 0 HG1 THR A 85 13.331 18.431 22.553 1.00 75.50 H new ATOM 0 HG21 THR A 85 14.602 20.377 21.998 1.00 42.32 H new ATOM 0 HG22 THR A 85 14.128 21.258 20.527 1.00 42.32 H new ATOM 0 HG23 THR A 85 13.086 21.309 21.968 1.00 42.32 H new ATOM 1214 N TYR A 86 12.208 20.411 17.674 1.00 3.14 N ATOM 1215 CA TYR A 86 12.468 20.134 16.267 1.00 55.45 C ATOM 1216 C TYR A 86 13.159 21.318 15.597 1.00 52.21 C ATOM 1217 O TYR A 86 12.532 22.338 15.313 1.00 43.20 O ATOM 1218 CB TYR A 86 11.161 19.814 15.539 1.00 54.40 C ATOM 1219 CG TYR A 86 11.363 19.214 14.166 1.00 21.33 C ATOM 1220 CD1 TYR A 86 12.332 18.242 13.948 1.00 32.41 C ATOM 1221 CD2 TYR A 86 10.587 19.619 13.088 1.00 72.54 C ATOM 1222 CE1 TYR A 86 12.521 17.690 12.696 1.00 50.24 C ATOM 1223 CE2 TYR A 86 10.768 19.072 11.832 1.00 20.30 C ATOM 1224 CZ TYR A 86 11.736 18.108 11.641 1.00 3.20 C ATOM 1225 OH TYR A 86 11.921 17.562 10.391 1.00 11.05 O ATOM 0 H TYR A 86 12.129 21.402 17.901 1.00 3.14 H new ATOM 0 HA TYR A 86 13.130 19.270 16.209 1.00 55.45 H new ATOM 0 HB2 TYR A 86 10.577 19.122 16.146 1.00 54.40 H new ATOM 0 HB3 TYR A 86 10.575 20.728 15.444 1.00 54.40 H new ATOM 0 HD1 TYR A 86 12.948 17.913 14.772 1.00 32.41 H new ATOM 0 HD2 TYR A 86 9.829 20.374 13.234 1.00 72.54 H new ATOM 0 HE1 TYR A 86 13.279 16.936 12.544 1.00 50.24 H new ATOM 0 HE2 TYR A 86 10.155 19.397 11.005 1.00 20.30 H new ATOM 0 HH TYR A 86 11.287 17.964 9.761 1.00 11.05 H new ATOM 1235 N GLY A 87 14.457 21.173 15.347 1.00 54.24 N ATOM 1236 CA GLY A 87 15.213 22.237 14.712 1.00 60.32 C ATOM 1237 C GLY A 87 15.535 23.369 15.667 1.00 72.02 C ATOM 1238 O GLY A 87 16.129 23.150 16.722 1.00 20.14 O ATOM 0 H GLY A 87 14.998 20.338 15.573 1.00 54.24 H new ATOM 0 HA2 GLY A 87 16.141 21.830 14.310 1.00 60.32 H new ATOM 0 HA3 GLY A 87 14.645 22.628 13.868 1.00 60.32 H new ATOM 1242 N SER A 88 15.143 24.584 15.296 1.00 60.35 N ATOM 1243 CA SER A 88 15.398 25.756 16.125 1.00 62.15 C ATOM 1244 C SER A 88 14.115 26.236 16.796 1.00 23.24 C ATOM 1245 O SER A 88 14.099 27.272 17.461 1.00 52.02 O ATOM 1246 CB SER A 88 15.998 26.883 15.281 1.00 72.51 C ATOM 1247 OG SER A 88 17.161 27.414 15.892 1.00 32.31 O ATOM 0 H SER A 88 14.648 24.782 14.427 1.00 60.35 H new ATOM 0 HA SER A 88 16.110 25.474 16.901 1.00 62.15 H new ATOM 0 HB2 SER A 88 16.245 26.506 14.288 1.00 72.51 H new ATOM 0 HB3 SER A 88 15.260 27.674 15.148 1.00 72.51 H new ATOM 0 HG SER A 88 17.526 28.131 15.333 1.00 32.31 H new ATOM 1253 N VAL A 89 13.041 25.474 16.618 1.00 33.12 N ATOM 1254 CA VAL A 89 11.752 25.819 17.207 1.00 5.33 C ATOM 1255 C VAL A 89 11.227 24.687 18.082 1.00 74.53 C ATOM 1256 O VAL A 89 11.406 23.510 17.766 1.00 54.32 O ATOM 1257 CB VAL A 89 10.708 26.143 16.123 1.00 70.04 C ATOM 1258 CG1 VAL A 89 9.351 26.418 16.753 1.00 60.43 C ATOM 1259 CG2 VAL A 89 11.163 27.326 15.281 1.00 24.41 C ATOM 0 H VAL A 89 13.038 24.613 16.071 1.00 33.12 H new ATOM 0 HA VAL A 89 11.912 26.705 17.822 1.00 5.33 H new ATOM 0 HB VAL A 89 10.609 25.277 15.469 1.00 70.04 H new ATOM 0 HG11 VAL A 89 8.626 26.645 15.971 1.00 60.43 H new ATOM 0 HG12 VAL A 89 9.023 25.539 17.308 1.00 60.43 H new ATOM 0 HG13 VAL A 89 9.430 27.267 17.432 1.00 60.43 H new ATOM 0 HG21 VAL A 89 10.413 27.541 14.520 1.00 24.41 H new ATOM 0 HG22 VAL A 89 11.292 28.199 15.920 1.00 24.41 H new ATOM 0 HG23 VAL A 89 12.111 27.086 14.799 1.00 24.41 H new ATOM 1269 N SER A 90 10.576 25.049 19.183 1.00 44.22 N ATOM 1270 CA SER A 90 10.027 24.063 20.106 1.00 54.13 C ATOM 1271 C SER A 90 8.727 24.566 20.727 1.00 2.03 C ATOM 1272 O SER A 90 8.488 25.770 20.805 1.00 43.32 O ATOM 1273 CB SER A 90 11.040 23.742 21.206 1.00 65.15 C ATOM 1274 OG SER A 90 11.713 24.912 21.637 1.00 50.31 O ATOM 0 H SER A 90 10.416 26.018 19.457 1.00 44.22 H new ATOM 0 HA SER A 90 9.814 23.154 19.543 1.00 54.13 H new ATOM 0 HB2 SER A 90 10.530 23.280 22.051 1.00 65.15 H new ATOM 0 HB3 SER A 90 11.765 23.017 20.837 1.00 65.15 H new ATOM 0 HG SER A 90 12.354 24.680 22.341 1.00 50.31 H new ATOM 1280 N GLY A 91 7.890 23.633 21.169 1.00 32.45 N ATOM 1281 CA GLY A 91 6.625 23.999 21.779 1.00 53.45 C ATOM 1282 C GLY A 91 6.428 23.358 23.138 1.00 70.02 C ATOM 1283 O GLY A 91 7.244 22.547 23.573 1.00 63.25 O ATOM 0 H GLY A 91 8.065 22.630 21.116 1.00 32.45 H new ATOM 0 HA2 GLY A 91 6.575 25.083 21.882 1.00 53.45 H new ATOM 0 HA3 GLY A 91 5.809 23.703 21.120 1.00 53.45 H new ATOM 1287 N ASN A 92 5.342 23.724 23.811 1.00 21.44 N ATOM 1288 CA ASN A 92 5.042 23.180 25.131 1.00 70.31 C ATOM 1289 C ASN A 92 3.537 23.155 25.380 1.00 50.43 C ATOM 1290 O ASN A 92 2.906 24.200 25.546 1.00 43.14 O ATOM 1291 CB ASN A 92 5.736 24.005 26.216 1.00 44.32 C ATOM 1292 CG ASN A 92 5.476 25.492 26.067 1.00 75.31 C ATOM 1293 OD1 ASN A 92 4.586 26.045 26.714 1.00 71.14 O ATOM 1294 ND2 ASN A 92 6.252 26.146 25.211 1.00 23.22 N ATOM 0 H ASN A 92 4.656 24.394 23.465 1.00 21.44 H new ATOM 0 HA ASN A 92 5.416 22.157 25.168 1.00 70.31 H new ATOM 0 HB2 ASN A 92 5.391 23.675 27.196 1.00 44.32 H new ATOM 0 HB3 ASN A 92 6.810 23.821 26.177 1.00 44.32 H new ATOM 0 HD21 ASN A 92 6.123 27.148 25.068 1.00 23.22 H new ATOM 0 HD22 ASN A 92 6.977 25.647 24.696 1.00 23.22 H new ATOM 1301 N THR A 93 2.966 21.955 25.405 1.00 20.02 N ATOM 1302 CA THR A 93 1.536 21.794 25.633 1.00 34.32 C ATOM 1303 C THR A 93 1.262 21.192 27.007 1.00 3.31 C ATOM 1304 O THR A 93 1.934 20.249 27.427 1.00 54.22 O ATOM 1305 CB THR A 93 0.893 20.899 24.557 1.00 55.23 C ATOM 1306 OG1 THR A 93 -0.534 20.958 24.660 1.00 75.53 O ATOM 1307 CG2 THR A 93 1.358 19.458 24.702 1.00 50.23 C ATOM 0 H THR A 93 3.473 21.080 25.270 1.00 20.02 H new ATOM 0 HA THR A 93 1.094 22.789 25.580 1.00 34.32 H new ATOM 0 HB THR A 93 1.202 21.266 23.578 1.00 55.23 H new ATOM 0 HG1 THR A 93 -0.937 20.496 23.895 1.00 75.53 H new ATOM 0 HG21 THR A 93 0.890 18.845 23.931 1.00 50.23 H new ATOM 0 HG22 THR A 93 2.442 19.413 24.594 1.00 50.23 H new ATOM 0 HG23 THR A 93 1.076 19.082 25.685 1.00 50.23 H new ATOM 1315 N ILE A 94 0.273 21.743 27.703 1.00 70.15 N ATOM 1316 CA ILE A 94 -0.090 21.259 29.029 1.00 64.34 C ATOM 1317 C ILE A 94 -1.460 20.591 29.014 1.00 33.41 C ATOM 1318 O ILE A 94 -2.407 21.104 28.416 1.00 31.31 O ATOM 1319 CB ILE A 94 -0.098 22.401 30.062 1.00 75.30 C ATOM 1320 CG1 ILE A 94 -0.908 23.588 29.536 1.00 64.25 C ATOM 1321 CG2 ILE A 94 1.324 22.827 30.392 1.00 0.04 C ATOM 1322 CD1 ILE A 94 -1.355 24.543 30.620 1.00 22.31 C ATOM 0 H ILE A 94 -0.291 22.525 27.370 1.00 70.15 H new ATOM 0 HA ILE A 94 0.665 20.527 29.316 1.00 64.34 H new ATOM 0 HB ILE A 94 -0.569 22.041 30.976 1.00 75.30 H new ATOM 0 HG12 ILE A 94 -0.307 24.133 28.808 1.00 64.25 H new ATOM 0 HG13 ILE A 94 -1.785 23.213 29.009 1.00 64.25 H new ATOM 0 HG21 ILE A 94 1.301 23.635 31.123 1.00 0.04 H new ATOM 0 HG22 ILE A 94 1.871 21.979 30.804 1.00 0.04 H new ATOM 0 HG23 ILE A 94 1.820 23.173 29.485 1.00 0.04 H new ATOM 0 HD11 ILE A 94 -1.923 25.359 30.174 1.00 22.31 H new ATOM 0 HD12 ILE A 94 -1.983 24.013 31.336 1.00 22.31 H new ATOM 0 HD13 ILE A 94 -0.482 24.947 31.132 1.00 22.31 H new ATOM 1334 N LEU A 95 -1.560 19.444 29.678 1.00 54.15 N ATOM 1335 CA LEU A 95 -2.817 18.705 29.743 1.00 4.32 C ATOM 1336 C LEU A 95 -3.136 18.300 31.179 1.00 65.03 C ATOM 1337 O LEU A 95 -2.275 17.792 31.898 1.00 3.45 O ATOM 1338 CB LEU A 95 -2.747 17.463 28.854 1.00 74.32 C ATOM 1339 CG LEU A 95 -3.851 16.425 29.063 1.00 53.43 C ATOM 1340 CD1 LEU A 95 -5.202 16.995 28.659 1.00 73.12 C ATOM 1341 CD2 LEU A 95 -3.548 15.158 28.277 1.00 50.23 C ATOM 0 H LEU A 95 -0.787 19.006 30.178 1.00 54.15 H new ATOM 0 HA LEU A 95 -3.613 19.357 29.383 1.00 4.32 H new ATOM 0 HB2 LEU A 95 -2.770 17.784 27.813 1.00 74.32 H new ATOM 0 HB3 LEU A 95 -1.784 16.978 29.017 1.00 74.32 H new ATOM 0 HG LEU A 95 -3.889 16.171 30.122 1.00 53.43 H new ATOM 0 HD11 LEU A 95 -5.975 16.243 28.814 1.00 73.12 H new ATOM 0 HD12 LEU A 95 -5.423 17.873 29.266 1.00 73.12 H new ATOM 0 HD13 LEU A 95 -5.177 17.278 27.607 1.00 73.12 H new ATOM 0 HD21 LEU A 95 -4.344 14.431 28.438 1.00 50.23 H new ATOM 0 HD22 LEU A 95 -3.482 15.395 27.215 1.00 50.23 H new ATOM 0 HD23 LEU A 95 -2.600 14.739 28.614 1.00 50.23 H new ATOM 1353 N THR A 96 -4.380 18.526 31.590 1.00 63.55 N ATOM 1354 CA THR A 96 -4.813 18.183 32.938 1.00 12.22 C ATOM 1355 C THR A 96 -5.595 16.875 32.949 1.00 72.31 C ATOM 1356 O THR A 96 -6.728 16.813 32.470 1.00 22.24 O ATOM 1357 CB THR A 96 -5.688 19.296 33.547 1.00 63.34 C ATOM 1358 OG1 THR A 96 -5.036 20.563 33.406 1.00 52.13 O ATOM 1359 CG2 THR A 96 -5.965 19.023 35.017 1.00 23.03 C ATOM 0 H THR A 96 -5.105 18.945 31.008 1.00 63.55 H new ATOM 0 HA THR A 96 -3.911 18.069 33.540 1.00 12.22 H new ATOM 0 HB THR A 96 -6.638 19.315 33.013 1.00 63.34 H new ATOM 0 HG1 THR A 96 -5.587 21.155 32.853 1.00 52.13 H new ATOM 0 HG21 THR A 96 -6.584 19.822 35.425 1.00 23.03 H new ATOM 0 HG22 THR A 96 -6.487 18.072 35.118 1.00 23.03 H new ATOM 0 HG23 THR A 96 -5.023 18.980 35.563 1.00 23.03 H new ATOM 1367 N VAL A 97 -4.984 15.830 33.498 1.00 32.13 N ATOM 1368 CA VAL A 97 -5.624 14.522 33.573 1.00 55.10 C ATOM 1369 C VAL A 97 -5.841 14.098 35.021 1.00 25.13 C ATOM 1370 O VAL A 97 -4.913 14.119 35.830 1.00 74.55 O ATOM 1371 CB VAL A 97 -4.789 13.446 32.854 1.00 52.34 C ATOM 1372 CG1 VAL A 97 -4.958 13.558 31.346 1.00 13.31 C ATOM 1373 CG2 VAL A 97 -3.323 13.561 33.244 1.00 54.21 C ATOM 0 H VAL A 97 -4.046 15.864 33.898 1.00 32.13 H new ATOM 0 HA VAL A 97 -6.590 14.614 33.076 1.00 55.10 H new ATOM 0 HB VAL A 97 -5.148 12.465 33.164 1.00 52.34 H new ATOM 0 HG11 VAL A 97 -4.361 12.790 30.855 1.00 13.31 H new ATOM 0 HG12 VAL A 97 -6.008 13.422 31.086 1.00 13.31 H new ATOM 0 HG13 VAL A 97 -4.627 14.542 31.015 1.00 13.31 H new ATOM 0 HG21 VAL A 97 -2.748 12.793 32.727 1.00 54.21 H new ATOM 0 HG22 VAL A 97 -2.948 14.546 32.964 1.00 54.21 H new ATOM 0 HG23 VAL A 97 -3.221 13.427 34.321 1.00 54.21 H new ATOM 1383 N ASN A 98 -7.072 13.713 35.342 1.00 64.11 N ATOM 1384 CA ASN A 98 -7.410 13.283 36.694 1.00 52.21 C ATOM 1385 C ASN A 98 -7.638 11.775 36.745 1.00 43.54 C ATOM 1386 O ASN A 98 -8.761 11.312 36.944 1.00 62.12 O ATOM 1387 CB ASN A 98 -8.660 14.016 37.186 1.00 31.31 C ATOM 1388 CG ASN A 98 -8.490 15.523 37.172 1.00 32.41 C ATOM 1389 OD1 ASN A 98 -8.205 16.136 38.201 1.00 74.11 O ATOM 1390 ND2 ASN A 98 -8.665 16.127 36.003 1.00 71.34 N ATOM 0 H ASN A 98 -7.852 13.690 34.685 1.00 64.11 H new ATOM 0 HA ASN A 98 -6.572 13.528 37.347 1.00 52.21 H new ATOM 0 HB2 ASN A 98 -9.508 13.743 36.559 1.00 31.31 H new ATOM 0 HB3 ASN A 98 -8.894 13.689 38.199 1.00 31.31 H new ATOM 0 HD21 ASN A 98 -8.564 17.139 35.932 1.00 71.34 H new ATOM 0 HD22 ASN A 98 -8.900 15.579 35.176 1.00 71.34 H new ATOM 1397 N LYS A 99 -6.564 11.014 36.563 1.00 2.35 N ATOM 1398 CA LYS A 99 -6.644 9.559 36.590 1.00 22.31 C ATOM 1399 C LYS A 99 -7.008 9.059 37.985 1.00 52.34 C ATOM 1400 O LYS A 99 -6.597 9.639 38.991 1.00 71.25 O ATOM 1401 CB LYS A 99 -5.313 8.946 36.149 1.00 4.01 C ATOM 1402 CG LYS A 99 -5.398 7.461 35.843 1.00 32.32 C ATOM 1403 CD LYS A 99 -4.481 6.652 36.745 1.00 70.20 C ATOM 1404 CE LYS A 99 -4.699 5.157 36.565 1.00 42.31 C ATOM 1405 NZ LYS A 99 -4.446 4.725 35.163 1.00 62.14 N ATOM 0 H LYS A 99 -5.627 11.382 36.395 1.00 2.35 H new ATOM 0 HA LYS A 99 -7.427 9.251 35.897 1.00 22.31 H new ATOM 0 HB2 LYS A 99 -4.957 9.471 35.263 1.00 4.01 H new ATOM 0 HB3 LYS A 99 -4.572 9.105 36.933 1.00 4.01 H new ATOM 0 HG2 LYS A 99 -6.426 7.121 35.969 1.00 32.32 H new ATOM 0 HG3 LYS A 99 -5.130 7.288 34.801 1.00 32.32 H new ATOM 0 HD2 LYS A 99 -3.442 6.898 36.525 1.00 70.20 H new ATOM 0 HD3 LYS A 99 -4.659 6.924 37.785 1.00 70.20 H new ATOM 0 HE2 LYS A 99 -4.039 4.610 37.238 1.00 42.31 H new ATOM 0 HE3 LYS A 99 -5.721 4.903 36.845 1.00 42.31 H new ATOM 0 HZ1 LYS A 99 -3.905 3.837 35.166 1.00 62.14 H new ATOM 0 HZ2 LYS A 99 -5.353 4.576 34.677 1.00 62.14 H new ATOM 0 HZ3 LYS A 99 -3.903 5.460 34.666 1.00 62.14 H new ATOM 1419 N THR A 100 -7.781 7.979 38.038 1.00 33.03 N ATOM 1420 CA THR A 100 -8.200 7.401 39.309 1.00 15.50 C ATOM 1421 C THR A 100 -7.006 7.165 40.226 1.00 60.51 C ATOM 1422 O THR A 100 -6.941 7.707 41.329 1.00 30.02 O ATOM 1423 CB THR A 100 -8.946 6.070 39.102 1.00 35.20 C ATOM 1424 OG1 THR A 100 -9.100 5.807 37.703 1.00 71.31 O ATOM 1425 CG2 THR A 100 -10.313 6.106 39.770 1.00 60.45 C ATOM 0 H THR A 100 -8.130 7.487 37.215 1.00 33.03 H new ATOM 0 HA THR A 100 -8.876 8.118 39.775 1.00 15.50 H new ATOM 0 HB THR A 100 -8.357 5.274 39.558 1.00 35.20 H new ATOM 0 HG1 THR A 100 -8.235 5.547 37.322 1.00 71.31 H new ATOM 0 HG21 THR A 100 -10.821 5.155 39.610 1.00 60.45 H new ATOM 0 HG22 THR A 100 -10.191 6.277 40.840 1.00 60.45 H new ATOM 0 HG23 THR A 100 -10.907 6.912 39.339 1.00 60.45 H new ATOM 1433 N ASP A 101 -6.063 6.352 39.763 1.00 45.24 N ATOM 1434 CA ASP A 101 -4.868 6.045 40.541 1.00 33.10 C ATOM 1435 C ASP A 101 -3.903 7.226 40.545 1.00 52.41 C ATOM 1436 O ASP A 101 -3.919 8.059 39.637 1.00 34.25 O ATOM 1437 CB ASP A 101 -4.173 4.804 39.979 1.00 4.11 C ATOM 1438 CG ASP A 101 -5.156 3.730 39.557 1.00 51.32 C ATOM 1439 OD1 ASP A 101 -6.238 3.639 40.175 1.00 4.51 O ATOM 1440 OD2 ASP A 101 -4.845 2.981 38.608 1.00 43.44 O ATOM 0 H ASP A 101 -6.103 5.894 38.853 1.00 45.24 H new ATOM 0 HA ASP A 101 -5.174 5.847 41.568 1.00 33.10 H new ATOM 0 HB2 ASP A 101 -3.562 5.090 39.123 1.00 4.11 H new ATOM 0 HB3 ASP A 101 -3.497 4.398 40.731 1.00 4.11 H new ATOM 1445 N THR A 102 -3.063 7.294 41.573 1.00 11.51 N ATOM 1446 CA THR A 102 -2.093 8.375 41.697 1.00 64.32 C ATOM 1447 C THR A 102 -0.956 7.988 42.636 1.00 32.13 C ATOM 1448 O THR A 102 0.016 7.355 42.224 1.00 42.14 O ATOM 1449 CB THR A 102 -2.753 9.667 42.213 1.00 30.11 C ATOM 1450 OG1 THR A 102 -3.889 9.994 41.404 1.00 23.44 O ATOM 1451 CG2 THR A 102 -1.764 10.823 42.199 1.00 74.03 C ATOM 0 H THR A 102 -3.035 6.613 42.332 1.00 11.51 H new ATOM 0 HA THR A 102 -1.692 8.555 40.700 1.00 64.32 H new ATOM 0 HB THR A 102 -3.076 9.499 43.240 1.00 30.11 H new ATOM 0 HG1 THR A 102 -3.825 9.526 40.545 1.00 23.44 H new ATOM 0 HG21 THR A 102 -2.253 11.725 42.568 1.00 74.03 H new ATOM 0 HG22 THR A 102 -0.915 10.583 42.839 1.00 74.03 H new ATOM 0 HG23 THR A 102 -1.414 10.991 41.180 1.00 74.03 H new TER 1459 THR A 102