USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 625 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 26 THR OG1 : rot 28:sc= 0.745 USER MOD Set 1.2: A 29 SER OG : rot -170:sc= 0.954 USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.115 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.873 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -178:sc= -1.25 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -106:sc= 0 (180deg=-1.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : A 46 MET CE :methyl 153:sc= -0.0449 (180deg=-0.795) USER MOD Single : A 47 ASN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 55 ASN : amide:sc= 0.59 K(o=0.59,f=-0.03) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0357 K(o=-0.036,f=-1.4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.733 USER MOD Single : A 68 GLN : amide:sc= -5.06! K(o=-5.1!,f=-1.2) USER MOD Single : A 69 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.4) USER MOD Single : A 80 LYS NZ :NH3+ -130:sc= -0.283 (180deg=-1.97) USER MOD Single : A 81 LYS NZ :NH3+ 175:sc= -0.408 (180deg=-0.439) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.306 -3.201 9.395 1.00 0.00 N ATOM 2 CA ALA A 1 -6.835 -4.044 8.303 1.00 71.14 C ATOM 3 C ALA A 1 -6.460 -5.435 8.804 1.00 11.33 C ATOM 4 O ALA A 1 -6.310 -5.653 10.007 1.00 0.45 O ATOM 5 CB ALA A 1 -5.648 -3.394 7.608 1.00 51.22 C ATOM 0 H1 ALA A 1 -8.312 -2.978 9.253 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.187 -3.704 10.298 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.756 -2.319 9.415 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.648 -4.152 7.585 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.307 -4.035 6.795 1.00 51.22 H new ATOM 0 HB2 ALA A 1 -5.947 -2.426 7.206 1.00 51.22 H new ATOM 0 HB3 ALA A 1 -4.838 -3.255 8.324 1.00 51.22 H new ATOM 11 N LYS A 2 -6.311 -6.373 7.876 1.00 33.02 N ATOM 12 CA LYS A 2 -5.953 -7.743 8.223 1.00 50.43 C ATOM 13 C LYS A 2 -4.559 -8.089 7.709 1.00 13.43 C ATOM 14 O LYS A 2 -4.094 -7.524 6.718 1.00 54.24 O ATOM 15 CB LYS A 2 -6.978 -8.722 7.645 1.00 31.31 C ATOM 16 CG LYS A 2 -7.342 -8.438 6.199 1.00 54.33 C ATOM 17 CD LYS A 2 -8.614 -7.611 6.096 1.00 65.24 C ATOM 18 CE LYS A 2 -9.385 -7.932 4.825 1.00 42.55 C ATOM 19 NZ LYS A 2 -10.274 -9.115 4.999 1.00 22.00 N ATOM 0 H LYS A 2 -6.433 -6.210 6.877 1.00 33.02 H new ATOM 0 HA LYS A 2 -5.951 -7.827 9.310 1.00 50.43 H new ATOM 0 HB2 LYS A 2 -6.582 -9.735 7.719 1.00 31.31 H new ATOM 0 HB3 LYS A 2 -7.883 -8.688 8.252 1.00 31.31 H new ATOM 0 HG2 LYS A 2 -6.522 -7.908 5.714 1.00 54.33 H new ATOM 0 HG3 LYS A 2 -7.474 -9.379 5.665 1.00 54.33 H new ATOM 0 HD2 LYS A 2 -9.245 -7.802 6.964 1.00 65.24 H new ATOM 0 HD3 LYS A 2 -8.362 -6.551 6.112 1.00 65.24 H new ATOM 0 HE2 LYS A 2 -9.983 -7.068 4.535 1.00 42.55 H new ATOM 0 HE3 LYS A 2 -8.683 -8.121 4.013 1.00 42.55 H new ATOM 0 HZ1 LYS A 2 -10.782 -9.301 4.111 1.00 22.00 H new ATOM 0 HZ2 LYS A 2 -9.701 -9.946 5.251 1.00 22.00 H new ATOM 0 HZ3 LYS A 2 -10.960 -8.925 5.757 1.00 22.00 H new ATOM 33 N LYS A 3 -3.897 -9.019 8.387 1.00 54.52 N ATOM 34 CA LYS A 3 -2.557 -9.443 7.998 1.00 73.03 C ATOM 35 C LYS A 3 -2.521 -9.849 6.527 1.00 20.43 C ATOM 36 O LYS A 3 -1.497 -9.704 5.861 1.00 0.54 O ATOM 37 CB LYS A 3 -2.095 -10.611 8.872 1.00 0.11 C ATOM 38 CG LYS A 3 -3.092 -11.754 8.937 1.00 51.43 C ATOM 39 CD LYS A 3 -3.658 -11.922 10.337 1.00 53.31 C ATOM 40 CE LYS A 3 -2.789 -12.838 11.184 1.00 54.13 C ATOM 41 NZ LYS A 3 -3.142 -14.272 10.989 1.00 75.51 N ATOM 0 H LYS A 3 -4.267 -9.495 9.210 1.00 54.52 H new ATOM 0 HA LYS A 3 -1.880 -8.601 8.141 1.00 73.03 H new ATOM 0 HB2 LYS A 3 -1.147 -10.988 8.488 1.00 0.11 H new ATOM 0 HB3 LYS A 3 -1.907 -10.246 9.882 1.00 0.11 H new ATOM 0 HG2 LYS A 3 -3.905 -11.569 8.235 1.00 51.43 H new ATOM 0 HG3 LYS A 3 -2.607 -12.679 8.626 1.00 51.43 H new ATOM 0 HD2 LYS A 3 -3.737 -10.947 10.818 1.00 53.31 H new ATOM 0 HD3 LYS A 3 -4.667 -12.330 10.276 1.00 53.31 H new ATOM 0 HE2 LYS A 3 -1.741 -12.684 10.928 1.00 54.13 H new ATOM 0 HE3 LYS A 3 -2.902 -12.576 12.236 1.00 54.13 H new ATOM 0 HZ1 LYS A 3 -2.528 -14.865 11.583 1.00 75.51 H new ATOM 0 HZ2 LYS A 3 -4.135 -14.425 11.257 1.00 75.51 H new ATOM 0 HZ3 LYS A 3 -3.010 -14.529 9.990 1.00 75.51 H new ATOM 55 N GLU A 4 -3.644 -10.356 6.030 1.00 54.55 N ATOM 56 CA GLU A 4 -3.738 -10.782 4.639 1.00 75.11 C ATOM 57 C GLU A 4 -3.615 -9.589 3.695 1.00 54.40 C ATOM 58 O GLU A 4 -2.814 -9.602 2.760 1.00 62.04 O ATOM 59 CB GLU A 4 -5.064 -11.506 4.393 1.00 72.30 C ATOM 60 CG GLU A 4 -5.018 -12.989 4.722 1.00 63.32 C ATOM 61 CD GLU A 4 -6.106 -13.777 4.019 1.00 22.23 C ATOM 62 OE1 GLU A 4 -7.000 -13.146 3.418 1.00 0.32 O ATOM 63 OE2 GLU A 4 -6.063 -15.023 4.070 1.00 42.35 O ATOM 0 H GLU A 4 -4.501 -10.482 6.569 1.00 54.55 H new ATOM 0 HA GLU A 4 -2.915 -11.468 4.439 1.00 75.11 H new ATOM 0 HB2 GLU A 4 -5.843 -11.034 4.992 1.00 72.30 H new ATOM 0 HB3 GLU A 4 -5.347 -11.383 3.348 1.00 72.30 H new ATOM 0 HG2 GLU A 4 -4.044 -13.390 4.440 1.00 63.32 H new ATOM 0 HG3 GLU A 4 -5.117 -13.121 5.799 1.00 63.32 H new ATOM 70 N THR A 5 -4.416 -8.558 3.946 1.00 34.33 N ATOM 71 CA THR A 5 -4.399 -7.358 3.120 1.00 14.03 C ATOM 72 C THR A 5 -3.009 -6.733 3.086 1.00 73.21 C ATOM 73 O THR A 5 -2.543 -6.289 2.036 1.00 74.03 O ATOM 74 CB THR A 5 -5.407 -6.311 3.629 1.00 72.11 C ATOM 75 OG1 THR A 5 -6.729 -6.861 3.626 1.00 51.45 O ATOM 76 CG2 THR A 5 -5.372 -5.060 2.765 1.00 5.45 C ATOM 0 H THR A 5 -5.085 -8.531 4.716 1.00 34.33 H new ATOM 0 HA THR A 5 -4.682 -7.664 2.113 1.00 14.03 H new ATOM 0 HB THR A 5 -5.129 -6.038 4.647 1.00 72.11 H new ATOM 0 HG1 THR A 5 -7.363 -6.189 3.953 1.00 51.45 H new ATOM 0 HG21 THR A 5 -6.093 -4.335 3.144 1.00 5.45 H new ATOM 0 HG22 THR A 5 -4.372 -4.626 2.793 1.00 5.45 H new ATOM 0 HG23 THR A 5 -5.626 -5.320 1.737 1.00 5.45 H new ATOM 84 N ILE A 6 -2.351 -6.702 4.241 1.00 44.34 N ATOM 85 CA ILE A 6 -1.012 -6.134 4.342 1.00 3.51 C ATOM 86 C ILE A 6 -0.049 -6.821 3.380 1.00 42.32 C ATOM 87 O ILE A 6 0.742 -6.165 2.703 1.00 24.02 O ATOM 88 CB ILE A 6 -0.459 -6.247 5.774 1.00 52.33 C ATOM 89 CG1 ILE A 6 -1.408 -5.571 6.766 1.00 45.13 C ATOM 90 CG2 ILE A 6 0.930 -5.631 5.855 1.00 54.21 C ATOM 91 CD1 ILE A 6 -1.080 -5.866 8.212 1.00 30.54 C ATOM 0 H ILE A 6 -2.723 -7.063 5.119 1.00 44.34 H new ATOM 0 HA ILE A 6 -1.096 -5.080 4.077 1.00 3.51 H new ATOM 0 HB ILE A 6 -0.383 -7.302 6.036 1.00 52.33 H new ATOM 0 HG12 ILE A 6 -1.378 -4.493 6.608 1.00 45.13 H new ATOM 0 HG13 ILE A 6 -2.428 -5.896 6.560 1.00 45.13 H new ATOM 0 HG21 ILE A 6 1.308 -5.718 6.874 1.00 54.21 H new ATOM 0 HG22 ILE A 6 1.600 -6.154 5.173 1.00 54.21 H new ATOM 0 HG23 ILE A 6 0.878 -4.578 5.576 1.00 54.21 H new ATOM 0 HD11 ILE A 6 -1.793 -5.355 8.859 1.00 30.54 H new ATOM 0 HD12 ILE A 6 -1.138 -6.940 8.386 1.00 30.54 H new ATOM 0 HD13 ILE A 6 -0.072 -5.516 8.435 1.00 30.54 H new ATOM 103 N ASP A 7 -0.124 -8.146 3.323 1.00 21.23 N ATOM 104 CA ASP A 7 0.740 -8.924 2.442 1.00 24.23 C ATOM 105 C ASP A 7 0.499 -8.555 0.981 1.00 61.04 C ATOM 106 O ASP A 7 1.427 -8.535 0.173 1.00 73.44 O ATOM 107 CB ASP A 7 0.502 -10.420 2.650 1.00 40.14 C ATOM 108 CG ASP A 7 1.704 -11.257 2.258 1.00 0.01 C ATOM 109 OD1 ASP A 7 2.793 -11.035 2.828 1.00 1.51 O ATOM 110 OD2 ASP A 7 1.555 -12.135 1.383 1.00 63.32 O ATOM 0 H ASP A 7 -0.774 -8.704 3.876 1.00 21.23 H new ATOM 0 HA ASP A 7 1.776 -8.692 2.691 1.00 24.23 H new ATOM 0 HB2 ASP A 7 0.260 -10.604 3.697 1.00 40.14 H new ATOM 0 HB3 ASP A 7 -0.362 -10.733 2.063 1.00 40.14 H new ATOM 115 N LYS A 8 -0.755 -8.265 0.648 1.00 32.54 N ATOM 116 CA LYS A 8 -1.119 -7.897 -0.714 1.00 32.02 C ATOM 117 C LYS A 8 -0.486 -6.566 -1.106 1.00 23.11 C ATOM 118 O LYS A 8 0.215 -6.474 -2.115 1.00 4.42 O ATOM 119 CB LYS A 8 -2.642 -7.809 -0.851 1.00 25.54 C ATOM 120 CG LYS A 8 -3.377 -8.980 -0.224 1.00 74.43 C ATOM 121 CD LYS A 8 -4.649 -9.313 -0.985 1.00 64.52 C ATOM 122 CE LYS A 8 -4.342 -10.002 -2.307 1.00 61.43 C ATOM 123 NZ LYS A 8 -4.208 -11.476 -2.146 1.00 20.22 N ATOM 0 H LYS A 8 -1.536 -8.278 1.304 1.00 32.54 H new ATOM 0 HA LYS A 8 -0.743 -8.670 -1.385 1.00 32.02 H new ATOM 0 HB2 LYS A 8 -2.987 -6.884 -0.388 1.00 25.54 H new ATOM 0 HB3 LYS A 8 -2.901 -7.752 -1.908 1.00 25.54 H new ATOM 0 HG2 LYS A 8 -2.724 -9.853 -0.206 1.00 74.43 H new ATOM 0 HG3 LYS A 8 -3.623 -8.744 0.811 1.00 74.43 H new ATOM 0 HD2 LYS A 8 -5.281 -9.958 -0.375 1.00 64.52 H new ATOM 0 HD3 LYS A 8 -5.213 -8.399 -1.172 1.00 64.52 H new ATOM 0 HE2 LYS A 8 -5.135 -9.785 -3.022 1.00 61.43 H new ATOM 0 HE3 LYS A 8 -3.419 -9.597 -2.722 1.00 61.43 H new ATOM 0 HZ1 LYS A 8 -3.999 -11.908 -3.068 1.00 20.22 H new ATOM 0 HZ2 LYS A 8 -3.434 -11.684 -1.483 1.00 20.22 H new ATOM 0 HZ3 LYS A 8 -5.097 -11.867 -1.774 1.00 20.22 H new ATOM 137 N VAL A 9 -0.734 -5.537 -0.302 1.00 52.32 N ATOM 138 CA VAL A 9 -0.186 -4.211 -0.565 1.00 71.53 C ATOM 139 C VAL A 9 1.338 -4.243 -0.588 1.00 42.45 C ATOM 140 O VAL A 9 1.962 -3.835 -1.569 1.00 73.41 O ATOM 141 CB VAL A 9 -0.651 -3.192 0.492 1.00 72.33 C ATOM 142 CG1 VAL A 9 -0.226 -1.786 0.102 1.00 43.52 C ATOM 143 CG2 VAL A 9 -2.159 -3.271 0.680 1.00 42.20 C ATOM 0 H VAL A 9 -1.311 -5.596 0.537 1.00 52.32 H new ATOM 0 HA VAL A 9 -0.556 -3.903 -1.543 1.00 71.53 H new ATOM 0 HB VAL A 9 -0.176 -3.437 1.442 1.00 72.33 H new ATOM 0 HG11 VAL A 9 -0.564 -1.080 0.861 1.00 43.52 H new ATOM 0 HG12 VAL A 9 0.860 -1.743 0.024 1.00 43.52 H new ATOM 0 HG13 VAL A 9 -0.670 -1.525 -0.859 1.00 43.52 H new ATOM 0 HG21 VAL A 9 -2.471 -2.544 1.430 1.00 42.20 H new ATOM 0 HG22 VAL A 9 -2.655 -3.052 -0.265 1.00 42.20 H new ATOM 0 HG23 VAL A 9 -2.433 -4.273 1.010 1.00 42.20 H new ATOM 153 N SER A 10 1.931 -4.730 0.497 1.00 64.22 N ATOM 154 CA SER A 10 3.384 -4.811 0.602 1.00 41.32 C ATOM 155 C SER A 10 3.975 -5.545 -0.598 1.00 71.15 C ATOM 156 O SER A 10 5.034 -5.177 -1.106 1.00 23.21 O ATOM 157 CB SER A 10 3.783 -5.521 1.896 1.00 70.43 C ATOM 158 OG SER A 10 4.977 -6.265 1.723 1.00 65.12 O ATOM 0 H SER A 10 1.429 -5.074 1.315 1.00 64.22 H new ATOM 0 HA SER A 10 3.781 -3.796 0.616 1.00 41.32 H new ATOM 0 HB2 SER A 10 3.920 -4.787 2.690 1.00 70.43 H new ATOM 0 HB3 SER A 10 2.979 -6.186 2.212 1.00 70.43 H new ATOM 0 HG SER A 10 5.194 -6.734 2.556 1.00 65.12 H new ATOM 164 N ASP A 11 3.283 -6.587 -1.046 1.00 74.44 N ATOM 165 CA ASP A 11 3.738 -7.375 -2.186 1.00 0.10 C ATOM 166 C ASP A 11 3.873 -6.501 -3.430 1.00 74.25 C ATOM 167 O ASP A 11 4.835 -6.628 -4.187 1.00 54.25 O ATOM 168 CB ASP A 11 2.767 -8.525 -2.458 1.00 70.21 C ATOM 169 CG ASP A 11 3.196 -9.816 -1.788 1.00 20.53 C ATOM 170 OD1 ASP A 11 4.040 -9.755 -0.869 1.00 13.31 O ATOM 171 OD2 ASP A 11 2.689 -10.887 -2.181 1.00 4.53 O ATOM 0 H ASP A 11 2.405 -6.906 -0.637 1.00 74.44 H new ATOM 0 HA ASP A 11 4.718 -7.787 -1.945 1.00 0.10 H new ATOM 0 HB2 ASP A 11 1.773 -8.249 -2.105 1.00 70.21 H new ATOM 0 HB3 ASP A 11 2.690 -8.685 -3.533 1.00 70.21 H new ATOM 176 N ILE A 12 2.902 -5.618 -3.634 1.00 55.12 N ATOM 177 CA ILE A 12 2.913 -4.724 -4.785 1.00 32.31 C ATOM 178 C ILE A 12 3.922 -3.596 -4.597 1.00 73.55 C ATOM 179 O ILE A 12 4.699 -3.286 -5.500 1.00 54.43 O ATOM 180 CB ILE A 12 1.522 -4.115 -5.039 1.00 53.13 C ATOM 181 CG1 ILE A 12 0.494 -5.222 -5.288 1.00 1.35 C ATOM 182 CG2 ILE A 12 1.570 -3.155 -6.217 1.00 30.12 C ATOM 183 CD1 ILE A 12 -0.851 -4.952 -4.652 1.00 11.42 C ATOM 0 H ILE A 12 2.098 -5.502 -3.017 1.00 55.12 H new ATOM 0 HA ILE A 12 3.201 -5.326 -5.647 1.00 32.31 H new ATOM 0 HB ILE A 12 1.220 -3.556 -4.153 1.00 53.13 H new ATOM 0 HG12 ILE A 12 0.360 -5.347 -6.362 1.00 1.35 H new ATOM 0 HG13 ILE A 12 0.886 -6.164 -4.904 1.00 1.35 H new ATOM 0 HG21 ILE A 12 0.579 -2.733 -6.383 1.00 30.12 H new ATOM 0 HG22 ILE A 12 2.275 -2.352 -6.003 1.00 30.12 H new ATOM 0 HG23 ILE A 12 1.891 -3.691 -7.110 1.00 30.12 H new ATOM 0 HD11 ILE A 12 -1.529 -5.777 -4.870 1.00 11.42 H new ATOM 0 HD12 ILE A 12 -0.731 -4.856 -3.573 1.00 11.42 H new ATOM 0 HD13 ILE A 12 -1.265 -4.027 -5.054 1.00 11.42 H new ATOM 195 N VAL A 13 3.908 -2.989 -3.415 1.00 21.11 N ATOM 196 CA VAL A 13 4.824 -1.897 -3.105 1.00 73.20 C ATOM 197 C VAL A 13 6.275 -2.351 -3.214 1.00 64.30 C ATOM 198 O VAL A 13 7.063 -1.775 -3.964 1.00 23.41 O ATOM 199 CB VAL A 13 4.576 -1.340 -1.691 1.00 50.13 C ATOM 200 CG1 VAL A 13 5.419 -0.097 -1.451 1.00 51.32 C ATOM 201 CG2 VAL A 13 3.098 -1.040 -1.488 1.00 60.52 C ATOM 0 H VAL A 13 3.273 -3.235 -2.656 1.00 21.11 H new ATOM 0 HA VAL A 13 4.637 -1.109 -3.835 1.00 73.20 H new ATOM 0 HB VAL A 13 4.873 -2.096 -0.964 1.00 50.13 H new ATOM 0 HG11 VAL A 13 5.230 0.282 -0.447 1.00 51.32 H new ATOM 0 HG12 VAL A 13 6.475 -0.348 -1.551 1.00 51.32 H new ATOM 0 HG13 VAL A 13 5.157 0.667 -2.183 1.00 51.32 H new ATOM 0 HG21 VAL A 13 2.941 -0.647 -0.483 1.00 60.52 H new ATOM 0 HG22 VAL A 13 2.773 -0.302 -2.221 1.00 60.52 H new ATOM 0 HG23 VAL A 13 2.520 -1.956 -1.614 1.00 60.52 H new ATOM 211 N LYS A 14 6.624 -3.388 -2.460 1.00 52.15 N ATOM 212 CA LYS A 14 7.979 -3.922 -2.472 1.00 64.55 C ATOM 213 C LYS A 14 8.420 -4.258 -3.893 1.00 31.31 C ATOM 214 O LYS A 14 9.600 -4.155 -4.227 1.00 2.34 O ATOM 215 CB LYS A 14 8.066 -5.171 -1.591 1.00 21.01 C ATOM 216 CG LYS A 14 7.420 -6.398 -2.211 1.00 41.34 C ATOM 217 CD LYS A 14 7.172 -7.481 -1.175 1.00 41.01 C ATOM 218 CE LYS A 14 8.471 -7.952 -0.538 1.00 52.31 C ATOM 219 NZ LYS A 14 8.362 -9.345 -0.022 1.00 50.55 N ATOM 0 H LYS A 14 5.985 -3.876 -1.832 1.00 52.15 H new ATOM 0 HA LYS A 14 8.646 -3.157 -2.075 1.00 64.55 H new ATOM 0 HB2 LYS A 14 9.114 -5.388 -1.384 1.00 21.01 H new ATOM 0 HB3 LYS A 14 7.589 -4.964 -0.633 1.00 21.01 H new ATOM 0 HG2 LYS A 14 6.476 -6.117 -2.678 1.00 41.34 H new ATOM 0 HG3 LYS A 14 8.062 -6.789 -3.001 1.00 41.34 H new ATOM 0 HD2 LYS A 14 6.504 -7.101 -0.402 1.00 41.01 H new ATOM 0 HD3 LYS A 14 6.668 -8.326 -1.644 1.00 41.01 H new ATOM 0 HE2 LYS A 14 9.276 -7.898 -1.271 1.00 52.31 H new ATOM 0 HE3 LYS A 14 8.739 -7.282 0.279 1.00 52.31 H new ATOM 0 HZ1 LYS A 14 9.267 -9.629 0.404 1.00 50.55 H new ATOM 0 HZ2 LYS A 14 7.611 -9.391 0.696 1.00 50.55 H new ATOM 0 HZ3 LYS A 14 8.131 -9.988 -0.806 1.00 50.55 H new ATOM 233 N GLU A 15 7.465 -4.659 -4.725 1.00 54.03 N ATOM 234 CA GLU A 15 7.755 -5.010 -6.110 1.00 21.23 C ATOM 235 C GLU A 15 8.147 -3.773 -6.914 1.00 34.15 C ATOM 236 O GLU A 15 8.923 -3.856 -7.865 1.00 42.14 O ATOM 237 CB GLU A 15 6.543 -5.687 -6.754 1.00 2.24 C ATOM 238 CG GLU A 15 6.818 -6.231 -8.146 1.00 33.31 C ATOM 239 CD GLU A 15 5.550 -6.630 -8.877 1.00 22.43 C ATOM 240 OE1 GLU A 15 4.805 -7.480 -8.347 1.00 14.34 O ATOM 241 OE2 GLU A 15 5.306 -6.094 -9.978 1.00 33.33 O ATOM 0 H GLU A 15 6.483 -4.749 -4.464 1.00 54.03 H new ATOM 0 HA GLU A 15 8.594 -5.706 -6.113 1.00 21.23 H new ATOM 0 HB2 GLU A 15 6.210 -6.504 -6.113 1.00 2.24 H new ATOM 0 HB3 GLU A 15 5.723 -4.970 -6.808 1.00 2.24 H new ATOM 0 HG2 GLU A 15 7.347 -5.477 -8.729 1.00 33.31 H new ATOM 0 HG3 GLU A 15 7.477 -7.096 -8.071 1.00 33.31 H new ATOM 248 N LYS A 16 7.603 -2.625 -6.522 1.00 2.41 N ATOM 249 CA LYS A 16 7.894 -1.368 -7.204 1.00 72.15 C ATOM 250 C LYS A 16 9.209 -0.774 -6.710 1.00 54.32 C ATOM 251 O LYS A 16 9.859 -0.005 -7.419 1.00 3.45 O ATOM 252 CB LYS A 16 6.756 -0.370 -6.984 1.00 32.12 C ATOM 253 CG LYS A 16 5.402 -0.878 -7.450 1.00 22.04 C ATOM 254 CD LYS A 16 5.200 -0.637 -8.937 1.00 54.44 C ATOM 255 CE LYS A 16 4.984 0.837 -9.239 1.00 2.20 C ATOM 256 NZ LYS A 16 5.568 1.225 -10.553 1.00 31.13 N ATOM 0 H LYS A 16 6.959 -2.539 -5.736 1.00 2.41 H new ATOM 0 HA LYS A 16 7.987 -1.574 -8.270 1.00 72.15 H new ATOM 0 HB2 LYS A 16 6.698 -0.126 -5.923 1.00 32.12 H new ATOM 0 HB3 LYS A 16 6.989 0.555 -7.511 1.00 32.12 H new ATOM 0 HG2 LYS A 16 5.319 -1.944 -7.238 1.00 22.04 H new ATOM 0 HG3 LYS A 16 4.612 -0.379 -6.889 1.00 22.04 H new ATOM 0 HD2 LYS A 16 6.069 -0.998 -9.486 1.00 54.44 H new ATOM 0 HD3 LYS A 16 4.341 -1.210 -9.286 1.00 54.44 H new ATOM 0 HE2 LYS A 16 3.916 1.055 -9.237 1.00 2.20 H new ATOM 0 HE3 LYS A 16 5.434 1.439 -8.450 1.00 2.20 H new ATOM 0 HZ1 LYS A 16 6.436 1.776 -10.398 1.00 31.13 H new ATOM 0 HZ2 LYS A 16 5.794 0.369 -11.099 1.00 31.13 H new ATOM 0 HZ3 LYS A 16 4.882 1.801 -11.081 1.00 31.13 H new ATOM 270 N LEU A 17 9.596 -1.136 -5.492 1.00 65.51 N ATOM 271 CA LEU A 17 10.835 -0.640 -4.904 1.00 4.33 C ATOM 272 C LEU A 17 11.974 -1.633 -5.113 1.00 24.14 C ATOM 273 O LEU A 17 13.141 -1.309 -4.894 1.00 61.42 O ATOM 274 CB LEU A 17 10.644 -0.375 -3.410 1.00 11.11 C ATOM 275 CG LEU A 17 9.499 0.569 -3.037 1.00 12.15 C ATOM 276 CD1 LEU A 17 9.498 0.842 -1.541 1.00 72.25 C ATOM 277 CD2 LEU A 17 9.606 1.871 -3.818 1.00 44.00 C ATOM 0 H LEU A 17 9.070 -1.771 -4.892 1.00 65.51 H new ATOM 0 HA LEU A 17 11.095 0.294 -5.403 1.00 4.33 H new ATOM 0 HB2 LEU A 17 10.479 -1.329 -2.910 1.00 11.11 H new ATOM 0 HB3 LEU A 17 11.572 0.037 -3.013 1.00 11.11 H new ATOM 0 HG LEU A 17 8.557 0.087 -3.298 1.00 12.15 H new ATOM 0 HD11 LEU A 17 8.677 1.515 -1.295 1.00 72.25 H new ATOM 0 HD12 LEU A 17 9.373 -0.096 -1.000 1.00 72.25 H new ATOM 0 HD13 LEU A 17 10.443 1.303 -1.255 1.00 72.25 H new ATOM 0 HD21 LEU A 17 8.784 2.530 -3.540 1.00 44.00 H new ATOM 0 HD22 LEU A 17 10.554 2.357 -3.588 1.00 44.00 H new ATOM 0 HD23 LEU A 17 9.557 1.660 -4.886 1.00 44.00 H new ATOM 289 N ALA A 18 11.626 -2.842 -5.541 1.00 71.23 N ATOM 290 CA ALA A 18 12.619 -3.881 -5.785 1.00 50.03 C ATOM 291 C ALA A 18 11.964 -5.152 -6.315 1.00 21.51 C ATOM 292 O ALA A 18 10.766 -5.174 -6.599 1.00 44.12 O ATOM 293 CB ALA A 18 13.397 -4.178 -4.511 1.00 4.14 C ATOM 0 H ALA A 18 10.664 -3.126 -5.726 1.00 71.23 H new ATOM 0 HA ALA A 18 13.311 -3.516 -6.544 1.00 50.03 H new ATOM 0 HB1 ALA A 18 14.135 -4.956 -4.708 1.00 4.14 H new ATOM 0 HB2 ALA A 18 13.904 -3.273 -4.175 1.00 4.14 H new ATOM 0 HB3 ALA A 18 12.710 -4.518 -3.736 1.00 4.14 H new ATOM 299 N LEU A 19 12.759 -6.210 -6.448 1.00 15.12 N ATOM 300 CA LEU A 19 12.256 -7.486 -6.944 1.00 43.32 C ATOM 301 C LEU A 19 11.425 -8.195 -5.881 1.00 42.12 C ATOM 302 O LEU A 19 10.596 -9.049 -6.194 1.00 30.11 O ATOM 303 CB LEU A 19 13.419 -8.379 -7.379 1.00 41.54 C ATOM 304 CG LEU A 19 13.991 -8.107 -8.771 1.00 1.25 C ATOM 305 CD1 LEU A 19 15.226 -8.959 -9.017 1.00 61.23 C ATOM 306 CD2 LEU A 19 12.940 -8.365 -9.840 1.00 71.04 C ATOM 0 H LEU A 19 13.753 -6.208 -6.219 1.00 15.12 H new ATOM 0 HA LEU A 19 11.616 -7.287 -7.804 1.00 43.32 H new ATOM 0 HB2 LEU A 19 14.223 -8.274 -6.651 1.00 41.54 H new ATOM 0 HB3 LEU A 19 13.088 -9.417 -7.341 1.00 41.54 H new ATOM 0 HG LEU A 19 14.283 -7.058 -8.824 1.00 1.25 H new ATOM 0 HD11 LEU A 19 15.619 -8.752 -10.012 1.00 61.23 H new ATOM 0 HD12 LEU A 19 15.985 -8.723 -8.271 1.00 61.23 H new ATOM 0 HD13 LEU A 19 14.961 -10.014 -8.944 1.00 61.23 H new ATOM 0 HD21 LEU A 19 13.365 -8.166 -10.824 1.00 71.04 H new ATOM 0 HD22 LEU A 19 12.616 -9.404 -9.788 1.00 71.04 H new ATOM 0 HD23 LEU A 19 12.085 -7.710 -9.675 1.00 71.04 H new ATOM 318 N GLY A 20 11.652 -7.835 -4.621 1.00 2.43 N ATOM 319 CA GLY A 20 10.915 -8.445 -3.530 1.00 51.53 C ATOM 320 C GLY A 20 11.714 -9.519 -2.820 1.00 30.42 C ATOM 321 O GLY A 20 11.446 -9.837 -1.662 1.00 11.12 O ATOM 0 H GLY A 20 12.334 -7.131 -4.337 1.00 2.43 H new ATOM 0 HA2 GLY A 20 10.630 -7.675 -2.813 1.00 51.53 H new ATOM 0 HA3 GLY A 20 9.992 -8.878 -3.916 1.00 51.53 H new ATOM 325 N ALA A 21 12.699 -10.079 -3.515 1.00 14.12 N ATOM 326 CA ALA A 21 13.540 -11.123 -2.942 1.00 4.40 C ATOM 327 C ALA A 21 14.754 -10.525 -2.239 1.00 41.12 C ATOM 328 O ALA A 21 15.323 -11.138 -1.337 1.00 31.45 O ATOM 329 CB ALA A 21 13.980 -12.097 -4.024 1.00 62.40 C ATOM 0 H ALA A 21 12.934 -9.827 -4.475 1.00 14.12 H new ATOM 0 HA ALA A 21 12.953 -11.663 -2.199 1.00 4.40 H new ATOM 0 HB1 ALA A 21 14.607 -12.872 -3.583 1.00 62.40 H new ATOM 0 HB2 ALA A 21 13.102 -12.556 -4.479 1.00 62.40 H new ATOM 0 HB3 ALA A 21 14.546 -11.562 -4.787 1.00 62.40 H new ATOM 335 N ASP A 22 15.145 -9.327 -2.660 1.00 74.23 N ATOM 336 CA ASP A 22 16.292 -8.646 -2.070 1.00 53.45 C ATOM 337 C ASP A 22 15.840 -7.497 -1.174 1.00 5.31 C ATOM 338 O ASP A 22 16.662 -6.749 -0.645 1.00 53.11 O ATOM 339 CB ASP A 22 17.219 -8.121 -3.166 1.00 1.20 C ATOM 340 CG ASP A 22 16.457 -7.559 -4.350 1.00 73.23 C ATOM 341 OD1 ASP A 22 15.637 -6.640 -4.145 1.00 55.42 O ATOM 342 OD2 ASP A 22 16.679 -8.038 -5.481 1.00 62.14 O ATOM 0 H ASP A 22 14.685 -8.807 -3.407 1.00 74.23 H new ATOM 0 HA ASP A 22 16.836 -9.366 -1.459 1.00 53.45 H new ATOM 0 HB2 ASP A 22 17.864 -7.346 -2.752 1.00 1.20 H new ATOM 0 HB3 ASP A 22 17.868 -8.928 -3.506 1.00 1.20 H new ATOM 347 N VAL A 23 14.528 -7.361 -1.011 1.00 1.33 N ATOM 348 CA VAL A 23 13.966 -6.303 -0.181 1.00 30.23 C ATOM 349 C VAL A 23 12.932 -6.858 0.793 1.00 31.10 C ATOM 350 O VAL A 23 12.075 -7.657 0.415 1.00 2.34 O ATOM 351 CB VAL A 23 13.309 -5.205 -1.038 1.00 20.44 C ATOM 352 CG1 VAL A 23 12.267 -5.805 -1.969 1.00 21.55 C ATOM 353 CG2 VAL A 23 12.691 -4.134 -0.151 1.00 33.50 C ATOM 0 H VAL A 23 13.834 -7.971 -1.443 1.00 1.33 H new ATOM 0 HA VAL A 23 14.794 -5.869 0.380 1.00 30.23 H new ATOM 0 HB VAL A 23 14.080 -4.737 -1.650 1.00 20.44 H new ATOM 0 HG11 VAL A 23 11.814 -5.014 -2.566 1.00 21.55 H new ATOM 0 HG12 VAL A 23 12.743 -6.530 -2.629 1.00 21.55 H new ATOM 0 HG13 VAL A 23 11.496 -6.302 -1.380 1.00 21.55 H new ATOM 0 HG21 VAL A 23 12.231 -3.366 -0.774 1.00 33.50 H new ATOM 0 HG22 VAL A 23 11.932 -4.585 0.489 1.00 33.50 H new ATOM 0 HG23 VAL A 23 13.466 -3.683 0.468 1.00 33.50 H new ATOM 363 N VAL A 24 13.018 -6.430 2.048 1.00 22.40 N ATOM 364 CA VAL A 24 12.089 -6.883 3.076 1.00 5.04 C ATOM 365 C VAL A 24 11.300 -5.714 3.657 1.00 61.04 C ATOM 366 O VAL A 24 11.862 -4.836 4.311 1.00 5.14 O ATOM 367 CB VAL A 24 12.826 -7.608 4.218 1.00 52.24 C ATOM 368 CG1 VAL A 24 11.837 -8.104 5.261 1.00 75.11 C ATOM 369 CG2 VAL A 24 13.656 -8.759 3.669 1.00 61.14 C ATOM 0 H VAL A 24 13.722 -5.770 2.378 1.00 22.40 H new ATOM 0 HA VAL A 24 11.401 -7.580 2.597 1.00 5.04 H new ATOM 0 HB VAL A 24 13.501 -6.900 4.699 1.00 52.24 H new ATOM 0 HG11 VAL A 24 12.376 -8.614 6.060 1.00 75.11 H new ATOM 0 HG12 VAL A 24 11.290 -7.257 5.675 1.00 75.11 H new ATOM 0 HG13 VAL A 24 11.136 -8.797 4.797 1.00 75.11 H new ATOM 0 HG21 VAL A 24 14.170 -9.260 4.489 1.00 61.14 H new ATOM 0 HG22 VAL A 24 13.003 -9.469 3.162 1.00 61.14 H new ATOM 0 HG23 VAL A 24 14.391 -8.373 2.962 1.00 61.14 H new ATOM 379 N VAL A 25 9.993 -5.712 3.414 1.00 4.13 N ATOM 380 CA VAL A 25 9.125 -4.653 3.914 1.00 43.30 C ATOM 381 C VAL A 25 8.122 -5.195 4.926 1.00 72.42 C ATOM 382 O VAL A 25 7.636 -6.320 4.794 1.00 32.13 O ATOM 383 CB VAL A 25 8.359 -3.966 2.767 1.00 65.43 C ATOM 384 CG1 VAL A 25 7.570 -4.989 1.965 1.00 64.42 C ATOM 385 CG2 VAL A 25 7.443 -2.881 3.313 1.00 64.24 C ATOM 0 H VAL A 25 9.512 -6.432 2.874 1.00 4.13 H new ATOM 0 HA VAL A 25 9.769 -3.921 4.401 1.00 43.30 H new ATOM 0 HB VAL A 25 9.082 -3.496 2.100 1.00 65.43 H new ATOM 0 HG11 VAL A 25 7.035 -4.486 1.159 1.00 64.42 H new ATOM 0 HG12 VAL A 25 8.253 -5.726 1.542 1.00 64.42 H new ATOM 0 HG13 VAL A 25 6.855 -5.490 2.618 1.00 64.42 H new ATOM 0 HG21 VAL A 25 6.910 -2.406 2.489 1.00 64.24 H new ATOM 0 HG22 VAL A 25 6.725 -3.324 4.003 1.00 64.24 H new ATOM 0 HG23 VAL A 25 8.037 -2.134 3.839 1.00 64.24 H new ATOM 395 N THR A 26 7.815 -4.389 5.937 1.00 72.44 N ATOM 396 CA THR A 26 6.871 -4.788 6.973 1.00 53.44 C ATOM 397 C THR A 26 5.861 -3.682 7.253 1.00 43.34 C ATOM 398 O THR A 26 6.015 -2.555 6.782 1.00 32.44 O ATOM 399 CB THR A 26 7.594 -5.151 8.285 1.00 45.42 C ATOM 400 OG1 THR A 26 8.801 -4.391 8.403 1.00 63.21 O ATOM 401 CG2 THR A 26 7.918 -6.636 8.331 1.00 54.45 C ATOM 0 H THR A 26 8.207 -3.455 6.060 1.00 72.44 H new ATOM 0 HA THR A 26 6.348 -5.668 6.600 1.00 53.44 H new ATOM 0 HB THR A 26 6.932 -4.914 9.118 1.00 45.42 H new ATOM 0 HG1 THR A 26 8.703 -3.544 7.921 1.00 63.21 H new ATOM 0 HG21 THR A 26 8.428 -6.868 9.266 1.00 54.45 H new ATOM 0 HG22 THR A 26 6.995 -7.212 8.268 1.00 54.45 H new ATOM 0 HG23 THR A 26 8.564 -6.894 7.492 1.00 54.45 H new ATOM 409 N ALA A 27 4.827 -4.010 8.021 1.00 41.44 N ATOM 410 CA ALA A 27 3.793 -3.041 8.364 1.00 74.24 C ATOM 411 C ALA A 27 4.385 -1.846 9.103 1.00 53.01 C ATOM 412 O ALA A 27 3.823 -0.751 9.081 1.00 4.03 O ATOM 413 CB ALA A 27 2.711 -3.703 9.205 1.00 21.33 C ATOM 0 H ALA A 27 4.683 -4.939 8.417 1.00 41.44 H new ATOM 0 HA ALA A 27 3.347 -2.677 7.439 1.00 74.24 H new ATOM 0 HB1 ALA A 27 1.945 -2.969 9.455 1.00 21.33 H new ATOM 0 HB2 ALA A 27 2.261 -4.520 8.641 1.00 21.33 H new ATOM 0 HB3 ALA A 27 3.151 -4.094 10.122 1.00 21.33 H new ATOM 419 N ASP A 28 5.520 -2.063 9.758 1.00 53.15 N ATOM 420 CA ASP A 28 6.187 -1.003 10.504 1.00 11.10 C ATOM 421 C ASP A 28 7.092 -0.183 9.590 1.00 11.42 C ATOM 422 O ASP A 28 7.452 0.950 9.911 1.00 60.44 O ATOM 423 CB ASP A 28 7.004 -1.595 11.653 1.00 61.24 C ATOM 424 CG ASP A 28 7.374 -0.559 12.696 1.00 55.11 C ATOM 425 OD1 ASP A 28 6.654 0.456 12.804 1.00 24.32 O ATOM 426 OD2 ASP A 28 8.381 -0.763 13.405 1.00 24.00 O ATOM 0 H ASP A 28 5.997 -2.964 9.787 1.00 53.15 H new ATOM 0 HA ASP A 28 5.422 -0.344 10.915 1.00 11.10 H new ATOM 0 HB2 ASP A 28 6.434 -2.394 12.126 1.00 61.24 H new ATOM 0 HB3 ASP A 28 7.913 -2.045 11.254 1.00 61.24 H new ATOM 431 N SER A 29 7.456 -0.762 8.450 1.00 73.53 N ATOM 432 CA SER A 29 8.323 -0.087 7.492 1.00 0.44 C ATOM 433 C SER A 29 7.566 1.017 6.759 1.00 30.21 C ATOM 434 O SER A 29 6.477 0.792 6.233 1.00 1.34 O ATOM 435 CB SER A 29 8.885 -1.091 6.484 1.00 53.34 C ATOM 436 OG SER A 29 9.597 -2.126 7.138 1.00 34.31 O ATOM 0 H SER A 29 7.164 -1.697 8.168 1.00 73.53 H new ATOM 0 HA SER A 29 9.148 0.365 8.042 1.00 0.44 H new ATOM 0 HB2 SER A 29 8.070 -1.519 5.900 1.00 53.34 H new ATOM 0 HB3 SER A 29 9.544 -0.578 5.784 1.00 53.34 H new ATOM 0 HG SER A 29 10.077 -2.663 6.474 1.00 34.31 H new ATOM 442 N GLU A 30 8.153 2.210 6.730 1.00 73.13 N ATOM 443 CA GLU A 30 7.534 3.348 6.063 1.00 11.32 C ATOM 444 C GLU A 30 7.984 3.438 4.609 1.00 44.55 C ATOM 445 O GLU A 30 9.135 3.144 4.284 1.00 42.42 O ATOM 446 CB GLU A 30 7.880 4.647 6.796 1.00 12.21 C ATOM 447 CG GLU A 30 7.718 4.557 8.304 1.00 74.22 C ATOM 448 CD GLU A 30 7.476 5.908 8.947 1.00 21.21 C ATOM 449 OE1 GLU A 30 7.880 6.929 8.352 1.00 14.32 O ATOM 450 OE2 GLU A 30 6.884 5.944 10.045 1.00 1.53 O ATOM 0 H GLU A 30 9.055 2.412 7.160 1.00 73.13 H new ATOM 0 HA GLU A 30 6.454 3.204 6.083 1.00 11.32 H new ATOM 0 HB2 GLU A 30 8.909 4.921 6.565 1.00 12.21 H new ATOM 0 HB3 GLU A 30 7.245 5.448 6.418 1.00 12.21 H new ATOM 0 HG2 GLU A 30 6.885 3.894 8.537 1.00 74.22 H new ATOM 0 HG3 GLU A 30 8.613 4.109 8.736 1.00 74.22 H new ATOM 457 N PHE A 31 7.067 3.843 3.735 1.00 3.14 N ATOM 458 CA PHE A 31 7.369 3.969 2.314 1.00 14.33 C ATOM 459 C PHE A 31 8.594 4.852 2.093 1.00 34.23 C ATOM 460 O PHE A 31 9.325 4.687 1.117 1.00 52.44 O ATOM 461 CB PHE A 31 6.167 4.550 1.566 1.00 53.54 C ATOM 462 CG PHE A 31 4.950 3.669 1.611 1.00 44.12 C ATOM 463 CD1 PHE A 31 4.942 2.444 0.964 1.00 65.40 C ATOM 464 CD2 PHE A 31 3.816 4.068 2.298 1.00 61.12 C ATOM 465 CE1 PHE A 31 3.825 1.631 1.002 1.00 54.11 C ATOM 466 CE2 PHE A 31 2.695 3.258 2.341 1.00 23.52 C ATOM 467 CZ PHE A 31 2.700 2.040 1.692 1.00 42.33 C ATOM 0 H PHE A 31 6.110 4.089 3.986 1.00 3.14 H new ATOM 0 HA PHE A 31 7.586 2.974 1.925 1.00 14.33 H new ATOM 0 HB2 PHE A 31 5.918 5.522 1.993 1.00 53.54 H new ATOM 0 HB3 PHE A 31 6.444 4.720 0.526 1.00 53.54 H new ATOM 0 HD1 PHE A 31 5.819 2.120 0.423 1.00 65.40 H new ATOM 0 HD2 PHE A 31 3.806 5.021 2.806 1.00 61.12 H new ATOM 0 HE1 PHE A 31 3.831 0.678 0.494 1.00 54.11 H new ATOM 0 HE2 PHE A 31 1.817 3.579 2.882 1.00 23.52 H new ATOM 0 HZ PHE A 31 1.825 1.407 1.723 1.00 42.33 H new ATOM 477 N SER A 32 8.812 5.791 3.009 1.00 12.24 N ATOM 478 CA SER A 32 9.945 6.704 2.914 1.00 50.53 C ATOM 479 C SER A 32 11.242 6.002 3.305 1.00 33.20 C ATOM 480 O SER A 32 12.316 6.332 2.805 1.00 42.02 O ATOM 481 CB SER A 32 9.722 7.924 3.809 1.00 11.43 C ATOM 482 OG SER A 32 8.901 8.884 3.165 1.00 34.34 O ATOM 0 H SER A 32 8.219 5.939 3.825 1.00 12.24 H new ATOM 0 HA SER A 32 10.028 7.034 1.878 1.00 50.53 H new ATOM 0 HB2 SER A 32 9.258 7.613 4.745 1.00 11.43 H new ATOM 0 HB3 SER A 32 10.682 8.373 4.063 1.00 11.43 H new ATOM 0 HG SER A 32 8.771 9.654 3.757 1.00 34.34 H new ATOM 488 N LYS A 33 11.132 5.032 4.206 1.00 74.45 N ATOM 489 CA LYS A 33 12.294 4.280 4.668 1.00 44.35 C ATOM 490 C LYS A 33 12.723 3.249 3.628 1.00 0.43 C ATOM 491 O LYS A 33 13.912 2.971 3.469 1.00 65.44 O ATOM 492 CB LYS A 33 11.983 3.583 5.994 1.00 70.23 C ATOM 493 CG LYS A 33 12.371 4.399 7.215 1.00 22.41 C ATOM 494 CD LYS A 33 13.800 4.112 7.647 1.00 41.41 C ATOM 495 CE LYS A 33 13.857 2.992 8.675 1.00 42.23 C ATOM 496 NZ LYS A 33 15.161 2.966 9.393 1.00 10.04 N ATOM 0 H LYS A 33 10.250 4.747 4.631 1.00 74.45 H new ATOM 0 HA LYS A 33 13.114 4.983 4.818 1.00 44.35 H new ATOM 0 HB2 LYS A 33 10.916 3.363 6.038 1.00 70.23 H new ATOM 0 HB3 LYS A 33 12.507 2.628 6.024 1.00 70.23 H new ATOM 0 HG2 LYS A 33 12.263 5.461 6.993 1.00 22.41 H new ATOM 0 HG3 LYS A 33 11.690 4.174 8.036 1.00 22.41 H new ATOM 0 HD2 LYS A 33 14.397 3.839 6.777 1.00 41.41 H new ATOM 0 HD3 LYS A 33 14.243 5.015 8.066 1.00 41.41 H new ATOM 0 HE2 LYS A 33 13.048 3.118 9.395 1.00 42.23 H new ATOM 0 HE3 LYS A 33 13.696 2.035 8.179 1.00 42.23 H new ATOM 0 HZ1 LYS A 33 15.161 2.189 10.085 1.00 10.04 H new ATOM 0 HZ2 LYS A 33 15.931 2.821 8.709 1.00 10.04 H new ATOM 0 HZ3 LYS A 33 15.303 3.870 9.887 1.00 10.04 H new ATOM 510 N LEU A 34 11.748 2.687 2.922 1.00 11.14 N ATOM 511 CA LEU A 34 12.025 1.688 1.896 1.00 3.21 C ATOM 512 C LEU A 34 12.776 2.308 0.721 1.00 74.24 C ATOM 513 O LEU A 34 13.434 1.607 -0.046 1.00 24.31 O ATOM 514 CB LEU A 34 10.721 1.056 1.406 1.00 2.54 C ATOM 515 CG LEU A 34 9.845 0.409 2.478 1.00 54.35 C ATOM 516 CD1 LEU A 34 8.648 -0.283 1.844 1.00 43.11 C ATOM 517 CD2 LEU A 34 10.656 -0.578 3.305 1.00 61.22 C ATOM 0 H LEU A 34 10.759 2.906 3.041 1.00 11.14 H new ATOM 0 HA LEU A 34 12.653 0.914 2.337 1.00 3.21 H new ATOM 0 HB2 LEU A 34 10.135 1.825 0.902 1.00 2.54 H new ATOM 0 HB3 LEU A 34 10.965 0.300 0.660 1.00 2.54 H new ATOM 0 HG LEU A 34 9.477 1.193 3.140 1.00 54.35 H new ATOM 0 HD11 LEU A 34 8.036 -0.738 2.623 1.00 43.11 H new ATOM 0 HD12 LEU A 34 8.053 0.448 1.296 1.00 43.11 H new ATOM 0 HD13 LEU A 34 8.996 -1.056 1.158 1.00 43.11 H new ATOM 0 HD21 LEU A 34 10.016 -1.029 4.063 1.00 61.22 H new ATOM 0 HD22 LEU A 34 11.053 -1.357 2.655 1.00 61.22 H new ATOM 0 HD23 LEU A 34 11.480 -0.055 3.790 1.00 61.22 H new ATOM 529 N GLY A 35 12.674 3.627 0.590 1.00 45.24 N ATOM 530 CA GLY A 35 13.350 4.319 -0.492 1.00 43.04 C ATOM 531 C GLY A 35 12.387 4.831 -1.545 1.00 24.14 C ATOM 532 O GLY A 35 12.795 5.181 -2.652 1.00 54.42 O ATOM 0 H GLY A 35 12.136 4.229 1.213 1.00 45.24 H new ATOM 0 HA2 GLY A 35 13.917 5.156 -0.085 1.00 43.04 H new ATOM 0 HA3 GLY A 35 14.068 3.644 -0.958 1.00 43.04 H new ATOM 536 N ALA A 36 11.104 4.875 -1.199 1.00 23.01 N ATOM 537 CA ALA A 36 10.080 5.349 -2.122 1.00 72.54 C ATOM 538 C ALA A 36 9.840 6.845 -1.954 1.00 31.11 C ATOM 539 O ALA A 36 9.759 7.348 -0.833 1.00 42.42 O ATOM 540 CB ALA A 36 8.785 4.577 -1.915 1.00 4.13 C ATOM 0 H ALA A 36 10.750 4.588 -0.287 1.00 23.01 H new ATOM 0 HA ALA A 36 10.434 5.177 -3.139 1.00 72.54 H new ATOM 0 HB1 ALA A 36 8.029 4.941 -2.611 1.00 4.13 H new ATOM 0 HB2 ALA A 36 8.961 3.516 -2.093 1.00 4.13 H new ATOM 0 HB3 ALA A 36 8.436 4.720 -0.892 1.00 4.13 H new ATOM 546 N ASP A 37 9.728 7.551 -3.073 1.00 43.21 N ATOM 547 CA ASP A 37 9.497 8.991 -3.050 1.00 52.24 C ATOM 548 C ASP A 37 8.072 9.319 -3.485 1.00 10.52 C ATOM 549 O ASP A 37 7.264 8.423 -3.730 1.00 20.30 O ATOM 550 CB ASP A 37 10.498 9.705 -3.958 1.00 51.30 C ATOM 551 CG ASP A 37 10.822 8.905 -5.204 1.00 43.22 C ATOM 552 OD1 ASP A 37 9.892 8.632 -5.992 1.00 44.35 O ATOM 553 OD2 ASP A 37 12.004 8.553 -5.392 1.00 63.44 O ATOM 0 H ASP A 37 9.793 7.150 -4.008 1.00 43.21 H new ATOM 0 HA ASP A 37 9.635 9.340 -2.027 1.00 52.24 H new ATOM 0 HB2 ASP A 37 10.094 10.675 -4.247 1.00 51.30 H new ATOM 0 HB3 ASP A 37 11.416 9.895 -3.403 1.00 51.30 H new ATOM 558 N SER A 38 7.770 10.610 -3.579 1.00 32.43 N ATOM 559 CA SER A 38 6.441 11.058 -3.980 1.00 65.21 C ATOM 560 C SER A 38 6.039 10.436 -5.314 1.00 2.24 C ATOM 561 O SER A 38 4.858 10.191 -5.567 1.00 61.22 O ATOM 562 CB SER A 38 6.403 12.583 -4.082 1.00 4.41 C ATOM 563 OG SER A 38 6.700 13.014 -5.400 1.00 61.22 O ATOM 0 H SER A 38 8.428 11.365 -3.383 1.00 32.43 H new ATOM 0 HA SER A 38 5.730 10.735 -3.219 1.00 65.21 H new ATOM 0 HB2 SER A 38 5.417 12.946 -3.791 1.00 4.41 H new ATOM 0 HB3 SER A 38 7.120 13.015 -3.384 1.00 4.41 H new ATOM 0 HG SER A 38 6.668 13.993 -5.439 1.00 61.22 H new ATOM 569 N LEU A 39 7.028 10.185 -6.164 1.00 41.40 N ATOM 570 CA LEU A 39 6.779 9.593 -7.474 1.00 50.53 C ATOM 571 C LEU A 39 6.463 8.105 -7.348 1.00 0.13 C ATOM 572 O LEU A 39 5.770 7.534 -8.190 1.00 31.32 O ATOM 573 CB LEU A 39 7.991 9.792 -8.385 1.00 15.43 C ATOM 574 CG LEU A 39 8.707 11.139 -8.264 1.00 53.22 C ATOM 575 CD1 LEU A 39 9.876 11.211 -9.234 1.00 74.33 C ATOM 576 CD2 LEU A 39 7.735 12.283 -8.511 1.00 24.01 C ATOM 0 H LEU A 39 8.010 10.382 -5.970 1.00 41.40 H new ATOM 0 HA LEU A 39 5.916 10.094 -7.913 1.00 50.53 H new ATOM 0 HB2 LEU A 39 8.711 9.000 -8.177 1.00 15.43 H new ATOM 0 HB3 LEU A 39 7.668 9.666 -9.419 1.00 15.43 H new ATOM 0 HG LEU A 39 9.097 11.232 -7.250 1.00 53.22 H new ATOM 0 HD11 LEU A 39 10.373 12.176 -9.134 1.00 74.33 H new ATOM 0 HD12 LEU A 39 10.584 10.413 -9.010 1.00 74.33 H new ATOM 0 HD13 LEU A 39 9.510 11.096 -10.254 1.00 74.33 H new ATOM 0 HD21 LEU A 39 8.261 13.233 -8.421 1.00 24.01 H new ATOM 0 HD22 LEU A 39 7.315 12.194 -9.513 1.00 24.01 H new ATOM 0 HD23 LEU A 39 6.931 12.242 -7.776 1.00 24.01 H new ATOM 588 N ASP A 40 6.974 7.486 -6.289 1.00 42.32 N ATOM 589 CA ASP A 40 6.744 6.066 -6.050 1.00 65.05 C ATOM 590 C ASP A 40 5.385 5.838 -5.396 1.00 62.10 C ATOM 591 O ASP A 40 4.579 5.040 -5.875 1.00 13.41 O ATOM 592 CB ASP A 40 7.853 5.488 -5.169 1.00 14.35 C ATOM 593 CG ASP A 40 9.090 5.117 -5.962 1.00 15.42 C ATOM 594 OD1 ASP A 40 8.972 4.295 -6.894 1.00 70.51 O ATOM 595 OD2 ASP A 40 10.175 5.651 -5.652 1.00 74.51 O ATOM 0 H ASP A 40 7.550 7.945 -5.583 1.00 42.32 H new ATOM 0 HA ASP A 40 6.753 5.555 -7.013 1.00 65.05 H new ATOM 0 HB2 ASP A 40 8.121 6.216 -4.403 1.00 14.35 H new ATOM 0 HB3 ASP A 40 7.478 4.605 -4.652 1.00 14.35 H new ATOM 600 N THR A 41 5.138 6.543 -4.296 1.00 63.12 N ATOM 601 CA THR A 41 3.878 6.417 -3.574 1.00 30.42 C ATOM 602 C THR A 41 2.690 6.499 -4.524 1.00 74.11 C ATOM 603 O THR A 41 1.816 5.631 -4.517 1.00 33.23 O ATOM 604 CB THR A 41 3.737 7.508 -2.497 1.00 14.22 C ATOM 605 OG1 THR A 41 5.030 7.907 -2.029 1.00 71.34 O ATOM 606 CG2 THR A 41 2.902 7.009 -1.327 1.00 14.21 C ATOM 0 H THR A 41 5.794 7.207 -3.886 1.00 63.12 H new ATOM 0 HA THR A 41 3.886 5.440 -3.091 1.00 30.42 H new ATOM 0 HB THR A 41 3.233 8.365 -2.945 1.00 14.22 H new ATOM 0 HG1 THR A 41 4.930 8.602 -1.346 1.00 71.34 H new ATOM 0 HG21 THR A 41 2.816 7.797 -0.579 1.00 14.21 H new ATOM 0 HG22 THR A 41 1.908 6.734 -1.680 1.00 14.21 H new ATOM 0 HG23 THR A 41 3.383 6.138 -0.883 1.00 14.21 H new ATOM 614 N VAL A 42 2.662 7.546 -5.341 1.00 22.24 N ATOM 615 CA VAL A 42 1.580 7.741 -6.299 1.00 43.34 C ATOM 616 C VAL A 42 1.365 6.491 -7.146 1.00 11.12 C ATOM 617 O VAL A 42 0.237 6.165 -7.512 1.00 64.02 O ATOM 618 CB VAL A 42 1.861 8.936 -7.229 1.00 52.01 C ATOM 619 CG1 VAL A 42 3.176 8.739 -7.968 1.00 41.00 C ATOM 620 CG2 VAL A 42 0.713 9.131 -8.208 1.00 62.22 C ATOM 0 H VAL A 42 3.377 8.273 -5.359 1.00 22.24 H new ATOM 0 HA VAL A 42 0.679 7.945 -5.721 1.00 43.34 H new ATOM 0 HB VAL A 42 1.945 9.836 -6.620 1.00 52.01 H new ATOM 0 HG11 VAL A 42 3.358 9.593 -8.620 1.00 41.00 H new ATOM 0 HG12 VAL A 42 3.989 8.653 -7.247 1.00 41.00 H new ATOM 0 HG13 VAL A 42 3.124 7.830 -8.567 1.00 41.00 H new ATOM 0 HG21 VAL A 42 0.929 9.980 -8.857 1.00 62.22 H new ATOM 0 HG22 VAL A 42 0.594 8.232 -8.813 1.00 62.22 H new ATOM 0 HG23 VAL A 42 -0.208 9.321 -7.656 1.00 62.22 H new ATOM 630 N GLU A 43 2.456 5.796 -7.453 1.00 23.11 N ATOM 631 CA GLU A 43 2.387 4.582 -8.258 1.00 11.40 C ATOM 632 C GLU A 43 1.828 3.420 -7.442 1.00 54.01 C ATOM 633 O GLU A 43 1.178 2.524 -7.982 1.00 11.42 O ATOM 634 CB GLU A 43 3.772 4.221 -8.798 1.00 2.20 C ATOM 635 CG GLU A 43 3.969 4.587 -10.260 1.00 75.41 C ATOM 636 CD GLU A 43 5.422 4.519 -10.687 1.00 33.42 C ATOM 637 OE1 GLU A 43 6.293 4.350 -9.807 1.00 42.11 O ATOM 638 OE2 GLU A 43 5.690 4.636 -11.901 1.00 34.13 O ATOM 0 H GLU A 43 3.398 6.053 -7.157 1.00 23.11 H new ATOM 0 HA GLU A 43 1.717 4.771 -9.097 1.00 11.40 H new ATOM 0 HB2 GLU A 43 4.529 4.728 -8.200 1.00 2.20 H new ATOM 0 HB3 GLU A 43 3.933 3.150 -8.675 1.00 2.20 H new ATOM 0 HG2 GLU A 43 3.379 3.913 -10.882 1.00 75.41 H new ATOM 0 HG3 GLU A 43 3.590 5.594 -10.433 1.00 75.41 H new ATOM 645 N ILE A 44 2.087 3.442 -6.139 1.00 73.44 N ATOM 646 CA ILE A 44 1.610 2.391 -5.248 1.00 63.33 C ATOM 647 C ILE A 44 0.087 2.311 -5.257 1.00 21.02 C ATOM 648 O ILE A 44 -0.489 1.248 -5.492 1.00 63.11 O ATOM 649 CB ILE A 44 2.093 2.615 -3.803 1.00 2.23 C ATOM 650 CG1 ILE A 44 3.611 2.807 -3.773 1.00 60.15 C ATOM 651 CG2 ILE A 44 1.683 1.446 -2.920 1.00 54.03 C ATOM 652 CD1 ILE A 44 4.364 1.781 -4.591 1.00 24.53 C ATOM 0 H ILE A 44 2.624 4.176 -5.677 1.00 73.44 H new ATOM 0 HA ILE A 44 2.023 1.453 -5.619 1.00 63.33 H new ATOM 0 HB ILE A 44 1.624 3.519 -3.415 1.00 2.23 H new ATOM 0 HG12 ILE A 44 3.851 3.803 -4.144 1.00 60.15 H new ATOM 0 HG13 ILE A 44 3.955 2.760 -2.740 1.00 60.15 H new ATOM 0 HG21 ILE A 44 2.032 1.619 -1.902 1.00 54.03 H new ATOM 0 HG22 ILE A 44 0.597 1.353 -2.921 1.00 54.03 H new ATOM 0 HG23 ILE A 44 2.126 0.527 -3.304 1.00 54.03 H new ATOM 0 HD11 ILE A 44 5.434 1.977 -4.525 1.00 24.53 H new ATOM 0 HD12 ILE A 44 4.153 0.783 -4.206 1.00 24.53 H new ATOM 0 HD13 ILE A 44 4.048 1.843 -5.632 1.00 24.53 H new ATOM 664 N VAL A 45 -0.561 3.443 -5.002 1.00 23.42 N ATOM 665 CA VAL A 45 -2.017 3.504 -4.983 1.00 70.34 C ATOM 666 C VAL A 45 -2.599 3.151 -6.347 1.00 60.10 C ATOM 667 O VAL A 45 -3.660 2.534 -6.440 1.00 20.05 O ATOM 668 CB VAL A 45 -2.515 4.901 -4.569 1.00 12.41 C ATOM 669 CG1 VAL A 45 -1.951 5.965 -5.497 1.00 11.43 C ATOM 670 CG2 VAL A 45 -4.036 4.942 -4.559 1.00 45.42 C ATOM 0 H VAL A 45 -0.100 4.331 -4.806 1.00 23.42 H new ATOM 0 HA VAL A 45 -2.355 2.774 -4.247 1.00 70.34 H new ATOM 0 HB VAL A 45 -2.162 5.110 -3.559 1.00 12.41 H new ATOM 0 HG11 VAL A 45 -2.314 6.946 -5.189 1.00 11.43 H new ATOM 0 HG12 VAL A 45 -0.862 5.949 -5.449 1.00 11.43 H new ATOM 0 HG13 VAL A 45 -2.272 5.764 -6.519 1.00 11.43 H new ATOM 0 HG21 VAL A 45 -4.371 5.936 -4.264 1.00 45.42 H new ATOM 0 HG22 VAL A 45 -4.413 4.713 -5.556 1.00 45.42 H new ATOM 0 HG23 VAL A 45 -4.415 4.206 -3.850 1.00 45.42 H new ATOM 680 N MET A 46 -1.897 3.547 -7.404 1.00 75.21 N ATOM 681 CA MET A 46 -2.343 3.271 -8.764 1.00 51.14 C ATOM 682 C MET A 46 -2.451 1.768 -9.008 1.00 14.03 C ATOM 683 O MET A 46 -3.471 1.281 -9.493 1.00 63.44 O ATOM 684 CB MET A 46 -1.381 3.895 -9.776 1.00 41.20 C ATOM 685 CG MET A 46 -1.653 3.476 -11.212 1.00 71.51 C ATOM 686 SD MET A 46 -1.322 4.796 -12.395 1.00 62.33 S ATOM 687 CE MET A 46 0.256 5.399 -11.798 1.00 54.25 C ATOM 0 H MET A 46 -1.017 4.060 -7.344 1.00 75.21 H new ATOM 0 HA MET A 46 -3.331 3.714 -8.891 1.00 51.14 H new ATOM 0 HB2 MET A 46 -1.446 4.981 -9.705 1.00 41.20 H new ATOM 0 HB3 MET A 46 -0.360 3.618 -9.513 1.00 41.20 H new ATOM 0 HG2 MET A 46 -1.037 2.611 -11.457 1.00 71.51 H new ATOM 0 HG3 MET A 46 -2.693 3.163 -11.304 1.00 71.51 H new ATOM 0 HE1 MET A 46 0.813 5.841 -12.624 1.00 54.25 H new ATOM 0 HE2 MET A 46 0.090 6.153 -11.028 1.00 54.25 H new ATOM 0 HE3 MET A 46 0.827 4.571 -11.378 1.00 54.25 H new ATOM 697 N ASN A 47 -1.392 1.041 -8.666 1.00 3.14 N ATOM 698 CA ASN A 47 -1.368 -0.405 -8.849 1.00 72.53 C ATOM 699 C ASN A 47 -2.381 -1.086 -7.933 1.00 50.03 C ATOM 700 O ASN A 47 -3.074 -2.020 -8.341 1.00 35.44 O ATOM 701 CB ASN A 47 0.034 -0.952 -8.571 1.00 43.32 C ATOM 702 CG ASN A 47 0.900 -0.981 -9.816 1.00 71.23 C ATOM 703 OD1 ASN A 47 1.482 -2.012 -10.157 1.00 11.12 O ATOM 704 ND2 ASN A 47 0.989 0.152 -10.501 1.00 2.03 N ATOM 0 H ASN A 47 -0.540 1.430 -8.261 1.00 3.14 H new ATOM 0 HA ASN A 47 -1.637 -0.620 -9.883 1.00 72.53 H new ATOM 0 HB2 ASN A 47 0.516 -0.338 -7.810 1.00 43.32 H new ATOM 0 HB3 ASN A 47 -0.046 -1.960 -8.164 1.00 43.32 H new ATOM 0 HD21 ASN A 47 1.557 0.193 -11.347 1.00 2.03 H new ATOM 0 HD22 ASN A 47 0.489 0.982 -10.181 1.00 2.03 H new ATOM 711 N LEU A 48 -2.464 -0.612 -6.696 1.00 34.42 N ATOM 712 CA LEU A 48 -3.393 -1.174 -5.721 1.00 13.33 C ATOM 713 C LEU A 48 -4.836 -0.997 -6.181 1.00 41.15 C ATOM 714 O LEU A 48 -5.628 -1.938 -6.147 1.00 73.20 O ATOM 715 CB LEU A 48 -3.196 -0.509 -4.357 1.00 70.43 C ATOM 716 CG LEU A 48 -1.888 -0.835 -3.635 1.00 73.11 C ATOM 717 CD1 LEU A 48 -1.649 0.144 -2.496 1.00 45.21 C ATOM 718 CD2 LEU A 48 -1.908 -2.266 -3.115 1.00 22.54 C ATOM 0 H LEU A 48 -1.899 0.161 -6.343 1.00 34.42 H new ATOM 0 HA LEU A 48 -3.187 -2.241 -5.632 1.00 13.33 H new ATOM 0 HB2 LEU A 48 -3.255 0.571 -4.490 1.00 70.43 H new ATOM 0 HB3 LEU A 48 -4.026 -0.797 -3.711 1.00 70.43 H new ATOM 0 HG LEU A 48 -1.068 -0.740 -4.347 1.00 73.11 H new ATOM 0 HD11 LEU A 48 -0.714 -0.103 -1.994 1.00 45.21 H new ATOM 0 HD12 LEU A 48 -1.590 1.157 -2.893 1.00 45.21 H new ATOM 0 HD13 LEU A 48 -2.471 0.081 -1.783 1.00 45.21 H new ATOM 0 HD21 LEU A 48 -0.969 -2.481 -2.604 1.00 22.54 H new ATOM 0 HD22 LEU A 48 -2.737 -2.388 -2.418 1.00 22.54 H new ATOM 0 HD23 LEU A 48 -2.032 -2.955 -3.950 1.00 22.54 H new ATOM 730 N GLU A 49 -5.171 0.215 -6.614 1.00 32.42 N ATOM 731 CA GLU A 49 -6.519 0.513 -7.082 1.00 50.14 C ATOM 732 C GLU A 49 -6.936 -0.450 -8.190 1.00 73.52 C ATOM 733 O GLU A 49 -8.086 -0.886 -8.247 1.00 24.45 O ATOM 734 CB GLU A 49 -6.600 1.954 -7.588 1.00 2.13 C ATOM 735 CG GLU A 49 -6.624 2.990 -6.476 1.00 2.11 C ATOM 736 CD GLU A 49 -6.240 4.375 -6.960 1.00 60.32 C ATOM 737 OE1 GLU A 49 -5.046 4.589 -7.258 1.00 5.15 O ATOM 738 OE2 GLU A 49 -7.133 5.244 -7.039 1.00 45.13 O ATOM 0 H GLU A 49 -4.527 1.005 -6.650 1.00 32.42 H new ATOM 0 HA GLU A 49 -7.202 0.391 -6.242 1.00 50.14 H new ATOM 0 HB2 GLU A 49 -5.747 2.150 -8.238 1.00 2.13 H new ATOM 0 HB3 GLU A 49 -7.497 2.066 -8.197 1.00 2.13 H new ATOM 0 HG2 GLU A 49 -7.622 3.026 -6.039 1.00 2.11 H new ATOM 0 HG3 GLU A 49 -5.940 2.683 -5.684 1.00 2.11 H new ATOM 745 N GLU A 50 -5.993 -0.779 -9.067 1.00 22.35 N ATOM 746 CA GLU A 50 -6.262 -1.689 -10.173 1.00 52.43 C ATOM 747 C GLU A 50 -6.346 -3.131 -9.683 1.00 55.25 C ATOM 748 O GLU A 50 -7.033 -3.960 -10.278 1.00 15.41 O ATOM 749 CB GLU A 50 -5.174 -1.565 -11.242 1.00 35.22 C ATOM 750 CG GLU A 50 -5.495 -0.546 -12.323 1.00 72.50 C ATOM 751 CD GLU A 50 -6.404 -1.106 -13.400 1.00 34.44 C ATOM 752 OE1 GLU A 50 -7.593 -1.351 -13.105 1.00 63.31 O ATOM 753 OE2 GLU A 50 -5.926 -1.298 -14.537 1.00 54.24 O ATOM 0 H GLU A 50 -5.036 -0.429 -9.033 1.00 22.35 H new ATOM 0 HA GLU A 50 -7.223 -1.415 -10.609 1.00 52.43 H new ATOM 0 HB2 GLU A 50 -4.235 -1.289 -10.762 1.00 35.22 H new ATOM 0 HB3 GLU A 50 -5.021 -2.539 -11.707 1.00 35.22 H new ATOM 0 HG2 GLU A 50 -5.969 0.324 -11.868 1.00 72.50 H new ATOM 0 HG3 GLU A 50 -4.567 -0.201 -12.779 1.00 72.50 H new ATOM 760 N GLU A 51 -5.643 -3.422 -8.593 1.00 21.42 N ATOM 761 CA GLU A 51 -5.637 -4.764 -8.024 1.00 34.02 C ATOM 762 C GLU A 51 -6.953 -5.058 -7.310 1.00 34.12 C ATOM 763 O GLU A 51 -7.597 -6.076 -7.565 1.00 32.33 O ATOM 764 CB GLU A 51 -4.468 -4.924 -7.048 1.00 14.42 C ATOM 765 CG GLU A 51 -4.052 -6.368 -6.829 1.00 31.14 C ATOM 766 CD GLU A 51 -5.105 -7.174 -6.093 1.00 52.13 C ATOM 767 OE1 GLU A 51 -5.659 -6.660 -5.100 1.00 34.41 O ATOM 768 OE2 GLU A 51 -5.375 -8.319 -6.512 1.00 70.22 O ATOM 0 H GLU A 51 -5.071 -2.746 -8.087 1.00 21.42 H new ATOM 0 HA GLU A 51 -5.519 -5.476 -8.841 1.00 34.02 H new ATOM 0 HB2 GLU A 51 -3.613 -4.361 -7.423 1.00 14.42 H new ATOM 0 HB3 GLU A 51 -4.743 -4.485 -6.089 1.00 14.42 H new ATOM 0 HG2 GLU A 51 -3.851 -6.834 -7.793 1.00 31.14 H new ATOM 0 HG3 GLU A 51 -3.121 -6.392 -6.263 1.00 31.14 H new ATOM 775 N PHE A 52 -7.346 -4.159 -6.413 1.00 50.31 N ATOM 776 CA PHE A 52 -8.586 -4.321 -5.661 1.00 21.54 C ATOM 777 C PHE A 52 -9.745 -3.621 -6.364 1.00 63.31 C ATOM 778 O PHE A 52 -10.828 -3.474 -5.801 1.00 3.14 O ATOM 779 CB PHE A 52 -8.423 -3.765 -4.245 1.00 33.24 C ATOM 780 CG PHE A 52 -7.288 -4.387 -3.483 1.00 74.43 C ATOM 781 CD1 PHE A 52 -7.485 -5.543 -2.743 1.00 30.52 C ATOM 782 CD2 PHE A 52 -6.025 -3.819 -3.506 1.00 51.53 C ATOM 783 CE1 PHE A 52 -6.443 -6.118 -2.040 1.00 24.12 C ATOM 784 CE2 PHE A 52 -4.979 -4.390 -2.806 1.00 31.04 C ATOM 785 CZ PHE A 52 -5.188 -5.541 -2.073 1.00 13.22 C ATOM 0 H PHE A 52 -6.824 -3.311 -6.189 1.00 50.31 H new ATOM 0 HA PHE A 52 -8.810 -5.386 -5.603 1.00 21.54 H new ATOM 0 HB2 PHE A 52 -8.264 -2.688 -4.302 1.00 33.24 H new ATOM 0 HB3 PHE A 52 -9.350 -3.922 -3.693 1.00 33.24 H new ATOM 0 HD1 PHE A 52 -8.464 -5.999 -2.716 1.00 30.52 H new ATOM 0 HD2 PHE A 52 -5.855 -2.919 -4.078 1.00 51.53 H new ATOM 0 HE1 PHE A 52 -6.610 -7.017 -1.466 1.00 24.12 H new ATOM 0 HE2 PHE A 52 -3.999 -3.936 -2.832 1.00 31.04 H new ATOM 0 HZ PHE A 52 -4.372 -5.990 -1.526 1.00 13.22 H new ATOM 795 N GLY A 53 -9.507 -3.192 -7.601 1.00 54.22 N ATOM 796 CA GLY A 53 -10.540 -2.513 -8.361 1.00 2.13 C ATOM 797 C GLY A 53 -11.158 -1.359 -7.597 1.00 0.12 C ATOM 798 O GLY A 53 -12.319 -1.014 -7.814 1.00 13.35 O ATOM 0 H GLY A 53 -8.618 -3.303 -8.089 1.00 54.22 H new ATOM 0 HA2 GLY A 53 -10.116 -2.141 -9.294 1.00 2.13 H new ATOM 0 HA3 GLY A 53 -11.319 -3.227 -8.628 1.00 2.13 H new ATOM 802 N ILE A 54 -10.380 -0.762 -6.700 1.00 3.12 N ATOM 803 CA ILE A 54 -10.858 0.360 -5.901 1.00 12.51 C ATOM 804 C ILE A 54 -10.334 1.685 -6.445 1.00 74.21 C ATOM 805 O ILE A 54 -9.662 1.723 -7.474 1.00 45.40 O ATOM 806 CB ILE A 54 -10.439 0.220 -4.426 1.00 10.03 C ATOM 807 CG1 ILE A 54 -8.914 0.200 -4.308 1.00 35.41 C ATOM 808 CG2 ILE A 54 -11.040 -1.039 -3.821 1.00 52.33 C ATOM 809 CD1 ILE A 54 -8.417 0.329 -2.885 1.00 60.31 C ATOM 0 H ILE A 54 -9.416 -1.036 -6.508 1.00 3.12 H new ATOM 0 HA ILE A 54 -11.946 0.350 -5.962 1.00 12.51 H new ATOM 0 HB ILE A 54 -10.817 1.080 -3.872 1.00 10.03 H new ATOM 0 HG12 ILE A 54 -8.537 -0.730 -4.733 1.00 35.41 H new ATOM 0 HG13 ILE A 54 -8.501 1.014 -4.904 1.00 35.41 H new ATOM 0 HG21 ILE A 54 -10.734 -1.123 -2.778 1.00 52.33 H new ATOM 0 HG22 ILE A 54 -12.127 -0.986 -3.877 1.00 52.33 H new ATOM 0 HG23 ILE A 54 -10.690 -1.911 -4.373 1.00 52.33 H new ATOM 0 HD11 ILE A 54 -7.327 0.307 -2.877 1.00 60.31 H new ATOM 0 HD12 ILE A 54 -8.764 1.272 -2.462 1.00 60.31 H new ATOM 0 HD13 ILE A 54 -8.801 -0.499 -2.289 1.00 60.31 H new ATOM 821 N ASN A 55 -10.645 2.770 -5.743 1.00 31.44 N ATOM 822 CA ASN A 55 -10.203 4.098 -6.153 1.00 42.13 C ATOM 823 C ASN A 55 -9.987 4.999 -4.941 1.00 62.24 C ATOM 824 O ASN A 55 -10.802 5.023 -4.018 1.00 45.23 O ATOM 825 CB ASN A 55 -11.230 4.730 -7.097 1.00 33.45 C ATOM 826 CG ASN A 55 -12.655 4.368 -6.727 1.00 72.43 C ATOM 827 OD1 ASN A 55 -13.364 3.725 -7.501 1.00 61.32 O ATOM 828 ND2 ASN A 55 -13.081 4.779 -5.539 1.00 32.32 N ATOM 0 H ASN A 55 -11.201 2.756 -4.888 1.00 31.44 H new ATOM 0 HA ASN A 55 -9.253 3.992 -6.677 1.00 42.13 H new ATOM 0 HB2 ASN A 55 -11.117 5.814 -7.079 1.00 33.45 H new ATOM 0 HB3 ASN A 55 -11.029 4.405 -8.118 1.00 33.45 H new ATOM 0 HD21 ASN A 55 -14.031 4.564 -5.235 1.00 32.32 H new ATOM 0 HD22 ASN A 55 -12.459 5.310 -4.930 1.00 32.32 H new ATOM 835 N VAL A 56 -8.883 5.739 -4.950 1.00 52.22 N ATOM 836 CA VAL A 56 -8.559 6.643 -3.853 1.00 34.11 C ATOM 837 C VAL A 56 -7.836 7.885 -4.359 1.00 44.40 C ATOM 838 O VAL A 56 -7.091 7.828 -5.338 1.00 53.31 O ATOM 839 CB VAL A 56 -7.684 5.948 -2.794 1.00 31.11 C ATOM 840 CG1 VAL A 56 -7.458 6.866 -1.602 1.00 11.12 C ATOM 841 CG2 VAL A 56 -8.317 4.637 -2.355 1.00 1.31 C ATOM 0 H VAL A 56 -8.198 5.730 -5.705 1.00 52.22 H new ATOM 0 HA VAL A 56 -9.504 6.938 -3.396 1.00 34.11 H new ATOM 0 HB VAL A 56 -6.715 5.725 -3.240 1.00 31.11 H new ATOM 0 HG11 VAL A 56 -6.838 6.358 -0.864 1.00 11.12 H new ATOM 0 HG12 VAL A 56 -6.957 7.775 -1.933 1.00 11.12 H new ATOM 0 HG13 VAL A 56 -8.418 7.123 -1.154 1.00 11.12 H new ATOM 0 HG21 VAL A 56 -7.684 4.160 -1.606 1.00 1.31 H new ATOM 0 HG22 VAL A 56 -9.300 4.833 -1.927 1.00 1.31 H new ATOM 0 HG23 VAL A 56 -8.421 3.977 -3.216 1.00 1.31 H new ATOM 851 N ASP A 57 -8.059 9.008 -3.686 1.00 3.24 N ATOM 852 CA ASP A 57 -7.428 10.267 -4.067 1.00 23.12 C ATOM 853 C ASP A 57 -6.100 10.450 -3.339 1.00 33.54 C ATOM 854 O ASP A 57 -5.918 9.956 -2.227 1.00 32.30 O ATOM 855 CB ASP A 57 -8.357 11.443 -3.761 1.00 51.44 C ATOM 856 CG ASP A 57 -8.074 12.647 -4.637 1.00 2.02 C ATOM 857 OD1 ASP A 57 -7.714 12.451 -5.816 1.00 42.44 O ATOM 858 OD2 ASP A 57 -8.212 13.786 -4.143 1.00 12.11 O ATOM 0 H ASP A 57 -8.672 9.073 -2.873 1.00 3.24 H new ATOM 0 HA ASP A 57 -7.235 10.237 -5.139 1.00 23.12 H new ATOM 0 HB2 ASP A 57 -9.392 11.131 -3.901 1.00 51.44 H new ATOM 0 HB3 ASP A 57 -8.248 11.725 -2.714 1.00 51.44 H new ATOM 863 N GLU A 58 -5.175 11.162 -3.974 1.00 43.03 N ATOM 864 CA GLU A 58 -3.863 11.408 -3.388 1.00 33.41 C ATOM 865 C GLU A 58 -3.989 12.185 -2.080 1.00 22.13 C ATOM 866 O GLU A 58 -3.373 11.832 -1.074 1.00 30.11 O ATOM 867 CB GLU A 58 -2.977 12.178 -4.368 1.00 25.11 C ATOM 868 CG GLU A 58 -1.512 12.215 -3.965 1.00 5.53 C ATOM 869 CD GLU A 58 -0.618 12.760 -5.063 1.00 14.25 C ATOM 870 OE1 GLU A 58 -1.134 13.480 -5.944 1.00 41.33 O ATOM 871 OE2 GLU A 58 0.594 12.467 -5.041 1.00 63.21 O ATOM 0 H GLU A 58 -5.310 11.579 -4.895 1.00 43.03 H new ATOM 0 HA GLU A 58 -3.402 10.443 -3.175 1.00 33.41 H new ATOM 0 HB2 GLU A 58 -3.062 11.724 -5.355 1.00 25.11 H new ATOM 0 HB3 GLU A 58 -3.347 13.200 -4.454 1.00 25.11 H new ATOM 0 HG2 GLU A 58 -1.400 12.830 -3.072 1.00 5.53 H new ATOM 0 HG3 GLU A 58 -1.186 11.209 -3.702 1.00 5.53 H new ATOM 878 N ASP A 59 -4.791 13.244 -2.103 1.00 3.02 N ATOM 879 CA ASP A 59 -4.999 14.071 -0.921 1.00 20.11 C ATOM 880 C ASP A 59 -5.479 13.227 0.256 1.00 63.30 C ATOM 881 O ASP A 59 -5.264 13.581 1.416 1.00 51.34 O ATOM 882 CB ASP A 59 -6.013 15.178 -1.218 1.00 74.45 C ATOM 883 CG ASP A 59 -6.215 16.109 -0.040 1.00 1.44 C ATOM 884 OD1 ASP A 59 -6.990 15.753 0.874 1.00 65.45 O ATOM 885 OD2 ASP A 59 -5.598 17.195 -0.029 1.00 45.42 O ATOM 0 H ASP A 59 -5.308 13.550 -2.928 1.00 3.02 H new ATOM 0 HA ASP A 59 -4.045 14.525 -0.654 1.00 20.11 H new ATOM 0 HB2 ASP A 59 -5.675 15.755 -2.079 1.00 74.45 H new ATOM 0 HB3 ASP A 59 -6.968 14.728 -1.490 1.00 74.45 H new ATOM 890 N LYS A 60 -6.129 12.110 -0.051 1.00 32.04 N ATOM 891 CA LYS A 60 -6.639 11.214 0.980 1.00 51.32 C ATOM 892 C LYS A 60 -5.548 10.266 1.467 1.00 3.12 C ATOM 893 O LYS A 60 -5.594 9.778 2.595 1.00 2.15 O ATOM 894 CB LYS A 60 -7.826 10.410 0.443 1.00 35.41 C ATOM 895 CG LYS A 60 -9.162 11.113 0.610 1.00 74.41 C ATOM 896 CD LYS A 60 -10.296 10.118 0.794 1.00 51.11 C ATOM 897 CE LYS A 60 -11.619 10.685 0.303 1.00 14.40 C ATOM 898 NZ LYS A 60 -12.075 11.834 1.136 1.00 64.54 N ATOM 0 H LYS A 60 -6.315 11.803 -1.006 1.00 32.04 H new ATOM 0 HA LYS A 60 -6.970 11.821 1.823 1.00 51.32 H new ATOM 0 HB2 LYS A 60 -7.664 10.202 -0.615 1.00 35.41 H new ATOM 0 HB3 LYS A 60 -7.864 9.449 0.955 1.00 35.41 H new ATOM 0 HG2 LYS A 60 -9.118 11.780 1.471 1.00 74.41 H new ATOM 0 HG3 LYS A 60 -9.359 11.734 -0.264 1.00 74.41 H new ATOM 0 HD2 LYS A 60 -10.068 9.200 0.251 1.00 51.11 H new ATOM 0 HD3 LYS A 60 -10.381 9.852 1.848 1.00 51.11 H new ATOM 0 HE2 LYS A 60 -11.514 11.007 -0.733 1.00 14.40 H new ATOM 0 HE3 LYS A 60 -12.377 9.902 0.318 1.00 14.40 H new ATOM 0 HZ1 LYS A 60 -12.980 12.192 0.769 1.00 64.54 H new ATOM 0 HZ2 LYS A 60 -12.200 11.521 2.120 1.00 64.54 H new ATOM 0 HZ3 LYS A 60 -11.364 12.592 1.101 1.00 64.54 H new ATOM 912 N ALA A 61 -4.566 10.011 0.608 1.00 43.05 N ATOM 913 CA ALA A 61 -3.461 9.124 0.951 1.00 11.10 C ATOM 914 C ALA A 61 -2.262 9.915 1.462 1.00 31.32 C ATOM 915 O ALA A 61 -1.115 9.517 1.261 1.00 31.43 O ATOM 916 CB ALA A 61 -3.067 8.281 -0.252 1.00 40.04 C ATOM 0 H ALA A 61 -4.513 10.406 -0.331 1.00 43.05 H new ATOM 0 HA ALA A 61 -3.794 8.461 1.750 1.00 11.10 H new ATOM 0 HB1 ALA A 61 -2.241 7.624 0.019 1.00 40.04 H new ATOM 0 HB2 ALA A 61 -3.919 7.680 -0.570 1.00 40.04 H new ATOM 0 HB3 ALA A 61 -2.758 8.934 -1.068 1.00 40.04 H new ATOM 922 N GLN A 62 -2.535 11.036 2.121 1.00 11.41 N ATOM 923 CA GLN A 62 -1.477 11.883 2.658 1.00 21.34 C ATOM 924 C GLN A 62 -0.907 11.293 3.945 1.00 3.21 C ATOM 925 O GLN A 62 0.297 11.067 4.055 1.00 63.41 O ATOM 926 CB GLN A 62 -2.007 13.293 2.921 1.00 31.04 C ATOM 927 CG GLN A 62 -2.244 14.101 1.655 1.00 42.24 C ATOM 928 CD GLN A 62 -0.961 14.652 1.065 1.00 61.43 C ATOM 929 OE1 GLN A 62 0.023 14.858 1.775 1.00 22.30 O ATOM 930 NE2 GLN A 62 -0.964 14.893 -0.241 1.00 14.40 N ATOM 0 H GLN A 62 -3.480 11.379 2.296 1.00 11.41 H new ATOM 0 HA GLN A 62 -0.678 11.935 1.918 1.00 21.34 H new ATOM 0 HB2 GLN A 62 -2.942 13.223 3.477 1.00 31.04 H new ATOM 0 HB3 GLN A 62 -1.298 13.826 3.555 1.00 31.04 H new ATOM 0 HG2 GLN A 62 -2.739 13.472 0.915 1.00 42.24 H new ATOM 0 HG3 GLN A 62 -2.921 14.926 1.877 1.00 42.24 H new ATOM 0 HE21 GLN A 62 -1.802 14.708 -0.792 1.00 14.40 H new ATOM 0 HE22 GLN A 62 -0.128 15.264 -0.693 1.00 14.40 H new ATOM 939 N ASP A 63 -1.782 11.047 4.914 1.00 42.31 N ATOM 940 CA ASP A 63 -1.366 10.483 6.193 1.00 34.03 C ATOM 941 C ASP A 63 -0.643 9.156 5.992 1.00 64.34 C ATOM 942 O ASP A 63 0.172 8.749 6.821 1.00 22.55 O ATOM 943 CB ASP A 63 -2.579 10.284 7.105 1.00 64.04 C ATOM 944 CG ASP A 63 -2.981 11.559 7.820 1.00 51.12 C ATOM 945 OD1 ASP A 63 -2.088 12.237 8.368 1.00 21.23 O ATOM 946 OD2 ASP A 63 -4.188 11.877 7.831 1.00 12.45 O ATOM 0 H ASP A 63 -2.783 11.229 4.838 1.00 42.31 H new ATOM 0 HA ASP A 63 -0.677 11.184 6.665 1.00 34.03 H new ATOM 0 HB2 ASP A 63 -3.420 9.922 6.513 1.00 64.04 H new ATOM 0 HB3 ASP A 63 -2.353 9.513 7.842 1.00 64.04 H new ATOM 951 N ILE A 64 -0.946 8.484 4.886 1.00 51.22 N ATOM 952 CA ILE A 64 -0.323 7.202 4.576 1.00 14.34 C ATOM 953 C ILE A 64 1.196 7.294 4.659 1.00 31.42 C ATOM 954 O ILE A 64 1.817 8.103 3.970 1.00 23.13 O ATOM 955 CB ILE A 64 -0.722 6.708 3.173 1.00 31.40 C ATOM 956 CG1 ILE A 64 -2.243 6.613 3.054 1.00 1.51 C ATOM 957 CG2 ILE A 64 -0.077 5.360 2.884 1.00 1.32 C ATOM 958 CD1 ILE A 64 -2.864 5.620 4.011 1.00 33.21 C ATOM 0 H ILE A 64 -1.619 8.806 4.190 1.00 51.22 H new ATOM 0 HA ILE A 64 -0.681 6.489 5.319 1.00 14.34 H new ATOM 0 HB ILE A 64 -0.364 7.427 2.436 1.00 31.40 H new ATOM 0 HG12 ILE A 64 -2.675 7.597 3.234 1.00 1.51 H new ATOM 0 HG13 ILE A 64 -2.502 6.332 2.033 1.00 1.51 H new ATOM 0 HG21 ILE A 64 -0.368 5.023 1.889 1.00 1.32 H new ATOM 0 HG22 ILE A 64 1.008 5.458 2.931 1.00 1.32 H new ATOM 0 HG23 ILE A 64 -0.408 4.632 3.625 1.00 1.32 H new ATOM 0 HD11 ILE A 64 -3.945 5.606 3.870 1.00 33.21 H new ATOM 0 HD12 ILE A 64 -2.460 4.626 3.817 1.00 33.21 H new ATOM 0 HD13 ILE A 64 -2.636 5.911 5.036 1.00 33.21 H new ATOM 970 N SER A 65 1.788 6.459 5.507 1.00 23.12 N ATOM 971 CA SER A 65 3.236 6.448 5.682 1.00 44.32 C ATOM 972 C SER A 65 3.778 5.022 5.633 1.00 43.52 C ATOM 973 O SER A 65 4.765 4.742 4.952 1.00 4.24 O ATOM 974 CB SER A 65 3.616 7.105 7.010 1.00 32.42 C ATOM 975 OG SER A 65 4.950 6.790 7.371 1.00 33.05 O ATOM 0 H SER A 65 1.288 5.782 6.083 1.00 23.12 H new ATOM 0 HA SER A 65 3.680 7.016 4.864 1.00 44.32 H new ATOM 0 HB2 SER A 65 3.503 8.186 6.930 1.00 32.42 H new ATOM 0 HB3 SER A 65 2.935 6.771 7.793 1.00 32.42 H new ATOM 0 HG SER A 65 5.169 7.223 8.222 1.00 33.05 H new ATOM 981 N THR A 66 3.124 4.122 6.361 1.00 63.13 N ATOM 982 CA THR A 66 3.539 2.726 6.403 1.00 42.24 C ATOM 983 C THR A 66 2.592 1.846 5.595 1.00 51.01 C ATOM 984 O THR A 66 1.517 2.288 5.185 1.00 61.41 O ATOM 985 CB THR A 66 3.600 2.201 7.850 1.00 23.44 C ATOM 986 OG1 THR A 66 2.276 2.011 8.359 1.00 1.11 O ATOM 987 CG2 THR A 66 4.359 3.170 8.745 1.00 55.04 C ATOM 0 H THR A 66 2.305 4.336 6.930 1.00 63.13 H new ATOM 0 HA THR A 66 4.536 2.680 5.965 1.00 42.24 H new ATOM 0 HB THR A 66 4.126 1.247 7.845 1.00 23.44 H new ATOM 0 HG1 THR A 66 2.324 1.676 9.279 1.00 1.11 H new ATOM 0 HG21 THR A 66 4.389 2.779 9.762 1.00 55.04 H new ATOM 0 HG22 THR A 66 5.376 3.290 8.372 1.00 55.04 H new ATOM 0 HG23 THR A 66 3.856 4.137 8.743 1.00 55.04 H new ATOM 995 N ILE A 67 2.995 0.600 5.371 1.00 23.14 N ATOM 996 CA ILE A 67 2.180 -0.342 4.614 1.00 1.53 C ATOM 997 C ILE A 67 0.777 -0.451 5.202 1.00 42.35 C ATOM 998 O ILE A 67 -0.216 -0.378 4.479 1.00 43.32 O ATOM 999 CB ILE A 67 2.822 -1.741 4.582 1.00 51.33 C ATOM 1000 CG1 ILE A 67 4.245 -1.662 4.026 1.00 33.33 C ATOM 1001 CG2 ILE A 67 1.974 -2.693 3.749 1.00 24.21 C ATOM 1002 CD1 ILE A 67 4.318 -1.077 2.633 1.00 41.43 C ATOM 0 H ILE A 67 3.881 0.219 5.703 1.00 23.14 H new ATOM 0 HA ILE A 67 2.115 0.042 3.596 1.00 1.53 H new ATOM 0 HB ILE A 67 2.872 -2.125 5.601 1.00 51.33 H new ATOM 0 HG12 ILE A 67 4.856 -1.058 4.697 1.00 33.33 H new ATOM 0 HG13 ILE A 67 4.678 -2.662 4.014 1.00 33.33 H new ATOM 0 HG21 ILE A 67 2.440 -3.678 3.735 1.00 24.21 H new ATOM 0 HG22 ILE A 67 0.978 -2.769 4.185 1.00 24.21 H new ATOM 0 HG23 ILE A 67 1.896 -2.314 2.730 1.00 24.21 H new ATOM 0 HD11 ILE A 67 5.357 -1.052 2.303 1.00 41.43 H new ATOM 0 HD12 ILE A 67 3.735 -1.693 1.949 1.00 41.43 H new ATOM 0 HD13 ILE A 67 3.915 -0.064 2.642 1.00 41.43 H new ATOM 1014 N GLN A 68 0.705 -0.624 6.518 1.00 54.15 N ATOM 1015 CA GLN A 68 -0.577 -0.742 7.202 1.00 15.33 C ATOM 1016 C GLN A 68 -1.477 0.447 6.881 1.00 54.14 C ATOM 1017 O GLN A 68 -2.661 0.279 6.590 1.00 64.21 O ATOM 1018 CB GLN A 68 -0.364 -0.841 8.714 1.00 52.45 C ATOM 1019 CG GLN A 68 -0.270 -2.272 9.222 1.00 15.03 C ATOM 1020 CD GLN A 68 -1.618 -2.837 9.626 1.00 22.00 C ATOM 1021 OE1 GLN A 68 -1.912 -2.983 10.813 1.00 62.34 O ATOM 1022 NE2 GLN A 68 -2.446 -3.158 8.639 1.00 71.31 N ATOM 0 H GLN A 68 1.518 -0.685 7.131 1.00 54.15 H new ATOM 0 HA GLN A 68 -1.066 -1.650 6.850 1.00 15.33 H new ATOM 0 HB2 GLN A 68 0.549 -0.309 8.980 1.00 52.45 H new ATOM 0 HB3 GLN A 68 -1.186 -0.337 9.222 1.00 52.45 H new ATOM 0 HG2 GLN A 68 0.166 -2.901 8.446 1.00 15.03 H new ATOM 0 HG3 GLN A 68 0.405 -2.307 10.077 1.00 15.03 H new ATOM 0 HE21 GLN A 68 -2.161 -3.020 7.669 1.00 71.31 H new ATOM 0 HE22 GLN A 68 -3.367 -3.542 8.850 1.00 71.31 H new ATOM 1031 N GLN A 69 -0.907 1.646 6.938 1.00 11.50 N ATOM 1032 CA GLN A 69 -1.660 2.863 6.653 1.00 73.52 C ATOM 1033 C GLN A 69 -2.362 2.765 5.303 1.00 72.21 C ATOM 1034 O GLN A 69 -3.552 3.057 5.190 1.00 45.51 O ATOM 1035 CB GLN A 69 -0.731 4.078 6.673 1.00 50.22 C ATOM 1036 CG GLN A 69 -0.041 4.295 8.009 1.00 1.15 C ATOM 1037 CD GLN A 69 -0.999 4.745 9.094 1.00 11.35 C ATOM 1038 OE1 GLN A 69 -2.199 4.890 8.858 1.00 32.23 O ATOM 1039 NE2 GLN A 69 -0.473 4.969 10.294 1.00 41.23 N ATOM 0 H GLN A 69 0.072 1.801 7.178 1.00 11.50 H new ATOM 0 HA GLN A 69 -2.418 2.982 7.427 1.00 73.52 H new ATOM 0 HB2 GLN A 69 0.026 3.959 5.898 1.00 50.22 H new ATOM 0 HB3 GLN A 69 -1.307 4.969 6.422 1.00 50.22 H new ATOM 0 HG2 GLN A 69 0.443 3.369 8.318 1.00 1.15 H new ATOM 0 HG3 GLN A 69 0.745 5.041 7.891 1.00 1.15 H new ATOM 0 HE21 GLN A 69 0.527 4.836 10.445 1.00 41.23 H new ATOM 0 HE22 GLN A 69 -1.069 5.274 11.063 1.00 41.23 H new ATOM 1048 N ALA A 70 -1.617 2.353 4.282 1.00 11.05 N ATOM 1049 CA ALA A 70 -2.168 2.216 2.940 1.00 10.54 C ATOM 1050 C ALA A 70 -3.143 1.046 2.864 1.00 55.40 C ATOM 1051 O ALA A 70 -4.040 1.026 2.022 1.00 4.54 O ATOM 1052 CB ALA A 70 -1.049 2.040 1.925 1.00 1.31 C ATOM 0 H ALA A 70 -0.630 2.108 4.359 1.00 11.05 H new ATOM 0 HA ALA A 70 -2.716 3.128 2.704 1.00 10.54 H new ATOM 0 HB1 ALA A 70 -1.476 1.939 0.927 1.00 1.31 H new ATOM 0 HB2 ALA A 70 -0.393 2.910 1.953 1.00 1.31 H new ATOM 0 HB3 ALA A 70 -0.476 1.145 2.167 1.00 1.31 H new ATOM 1058 N ALA A 71 -2.960 0.072 3.749 1.00 14.41 N ATOM 1059 CA ALA A 71 -3.825 -1.101 3.783 1.00 73.03 C ATOM 1060 C ALA A 71 -5.191 -0.761 4.370 1.00 4.13 C ATOM 1061 O ALA A 71 -6.221 -1.213 3.872 1.00 2.33 O ATOM 1062 CB ALA A 71 -3.168 -2.218 4.581 1.00 13.30 C ATOM 0 H ALA A 71 -2.221 0.072 4.452 1.00 14.41 H new ATOM 0 HA ALA A 71 -3.975 -1.441 2.758 1.00 73.03 H new ATOM 0 HB1 ALA A 71 -3.825 -3.088 4.598 1.00 13.30 H new ATOM 0 HB2 ALA A 71 -2.220 -2.488 4.116 1.00 13.30 H new ATOM 0 HB3 ALA A 71 -2.988 -1.879 5.601 1.00 13.30 H new ATOM 1068 N ASP A 72 -5.190 0.037 5.432 1.00 21.23 N ATOM 1069 CA ASP A 72 -6.429 0.439 6.088 1.00 42.43 C ATOM 1070 C ASP A 72 -7.344 1.177 5.115 1.00 41.21 C ATOM 1071 O ASP A 72 -8.563 1.006 5.141 1.00 1.25 O ATOM 1072 CB ASP A 72 -6.127 1.325 7.297 1.00 10.21 C ATOM 1073 CG ASP A 72 -7.297 1.411 8.258 1.00 45.20 C ATOM 1074 OD1 ASP A 72 -8.026 0.407 8.398 1.00 63.42 O ATOM 1075 OD2 ASP A 72 -7.483 2.483 8.870 1.00 13.44 O ATOM 0 H ASP A 72 -4.345 0.418 5.857 1.00 21.23 H new ATOM 0 HA ASP A 72 -6.941 -0.462 6.427 1.00 42.43 H new ATOM 0 HB2 ASP A 72 -5.257 0.933 7.823 1.00 10.21 H new ATOM 0 HB3 ASP A 72 -5.868 2.327 6.954 1.00 10.21 H new ATOM 1080 N VAL A 73 -6.747 2.000 4.258 1.00 12.43 N ATOM 1081 CA VAL A 73 -7.508 2.766 3.278 1.00 44.05 C ATOM 1082 C VAL A 73 -8.142 1.848 2.238 1.00 14.51 C ATOM 1083 O VAL A 73 -9.262 2.089 1.785 1.00 61.03 O ATOM 1084 CB VAL A 73 -6.619 3.799 2.560 1.00 60.34 C ATOM 1085 CG1 VAL A 73 -7.427 4.577 1.532 1.00 73.11 C ATOM 1086 CG2 VAL A 73 -5.977 4.740 3.569 1.00 63.32 C ATOM 0 H VAL A 73 -5.739 2.153 4.223 1.00 12.43 H new ATOM 0 HA VAL A 73 -8.292 3.290 3.824 1.00 44.05 H new ATOM 0 HB VAL A 73 -5.825 3.268 2.035 1.00 60.34 H new ATOM 0 HG11 VAL A 73 -6.782 5.302 1.035 1.00 73.11 H new ATOM 0 HG12 VAL A 73 -7.835 3.888 0.793 1.00 73.11 H new ATOM 0 HG13 VAL A 73 -8.243 5.100 2.031 1.00 73.11 H new ATOM 0 HG21 VAL A 73 -5.352 5.464 3.045 1.00 63.32 H new ATOM 0 HG22 VAL A 73 -6.755 5.266 4.122 1.00 63.32 H new ATOM 0 HG23 VAL A 73 -5.363 4.166 4.263 1.00 63.32 H new ATOM 1096 N ILE A 74 -7.421 0.798 1.864 1.00 43.14 N ATOM 1097 CA ILE A 74 -7.914 -0.156 0.879 1.00 70.32 C ATOM 1098 C ILE A 74 -9.030 -1.019 1.459 1.00 5.24 C ATOM 1099 O ILE A 74 -10.148 -1.031 0.946 1.00 11.30 O ATOM 1100 CB ILE A 74 -6.786 -1.072 0.368 1.00 3.54 C ATOM 1101 CG1 ILE A 74 -5.677 -0.240 -0.279 1.00 2.33 C ATOM 1102 CG2 ILE A 74 -7.337 -2.089 -0.621 1.00 63.40 C ATOM 1103 CD1 ILE A 74 -4.314 -0.892 -0.211 1.00 10.43 C ATOM 0 H ILE A 74 -6.492 0.586 2.228 1.00 43.14 H new ATOM 0 HA ILE A 74 -8.304 0.427 0.045 1.00 70.32 H new ATOM 0 HB ILE A 74 -6.363 -1.610 1.216 1.00 3.54 H new ATOM 0 HG12 ILE A 74 -5.932 -0.059 -1.323 1.00 2.33 H new ATOM 0 HG13 ILE A 74 -5.630 0.732 0.211 1.00 2.33 H new ATOM 0 HG21 ILE A 74 -6.528 -2.729 -0.973 1.00 63.40 H new ATOM 0 HG22 ILE A 74 -8.095 -2.699 -0.131 1.00 63.40 H new ATOM 0 HG23 ILE A 74 -7.783 -1.568 -1.468 1.00 63.40 H new ATOM 0 HD11 ILE A 74 -3.577 -0.246 -0.689 1.00 10.43 H new ATOM 0 HD12 ILE A 74 -4.037 -1.049 0.832 1.00 10.43 H new ATOM 0 HD13 ILE A 74 -4.344 -1.852 -0.727 1.00 10.43 H new ATOM 1115 N GLU A 75 -8.717 -1.737 2.533 1.00 64.13 N ATOM 1116 CA GLU A 75 -9.694 -2.602 3.184 1.00 5.44 C ATOM 1117 C GLU A 75 -10.953 -1.821 3.549 1.00 2.43 C ATOM 1118 O GLU A 75 -12.053 -2.374 3.582 1.00 65.31 O ATOM 1119 CB GLU A 75 -9.092 -3.236 4.440 1.00 3.33 C ATOM 1120 CG GLU A 75 -8.955 -2.268 5.604 1.00 42.11 C ATOM 1121 CD GLU A 75 -10.217 -2.179 6.439 1.00 60.12 C ATOM 1122 OE1 GLU A 75 -10.931 -3.198 6.548 1.00 23.32 O ATOM 1123 OE2 GLU A 75 -10.491 -1.089 6.984 1.00 35.11 O ATOM 0 H GLU A 75 -7.796 -1.737 2.970 1.00 64.13 H new ATOM 0 HA GLU A 75 -9.966 -3.391 2.483 1.00 5.44 H new ATOM 0 HB2 GLU A 75 -9.716 -4.075 4.748 1.00 3.33 H new ATOM 0 HB3 GLU A 75 -8.110 -3.641 4.197 1.00 3.33 H new ATOM 0 HG2 GLU A 75 -8.126 -2.582 6.238 1.00 42.11 H new ATOM 0 HG3 GLU A 75 -8.706 -1.278 5.221 1.00 42.11 H new ATOM 1130 N GLY A 76 -10.784 -0.531 3.824 1.00 52.31 N ATOM 1131 CA GLY A 76 -11.915 0.305 4.183 1.00 31.34 C ATOM 1132 C GLY A 76 -12.931 0.420 3.065 1.00 64.30 C ATOM 1133 O GLY A 76 -14.135 0.498 3.315 1.00 5.01 O ATOM 0 H GLY A 76 -9.885 -0.050 3.805 1.00 52.31 H new ATOM 0 HA2 GLY A 76 -12.399 -0.106 5.069 1.00 31.34 H new ATOM 0 HA3 GLY A 76 -11.557 1.300 4.448 1.00 31.34 H new ATOM 1137 N LEU A 77 -12.447 0.432 1.828 1.00 42.35 N ATOM 1138 CA LEU A 77 -13.322 0.540 0.665 1.00 72.42 C ATOM 1139 C LEU A 77 -13.956 -0.807 0.334 1.00 73.23 C ATOM 1140 O LEU A 77 -15.135 -0.882 -0.013 1.00 43.02 O ATOM 1141 CB LEU A 77 -12.538 1.058 -0.541 1.00 24.12 C ATOM 1142 CG LEU A 77 -11.747 2.349 -0.324 1.00 73.30 C ATOM 1143 CD1 LEU A 77 -10.653 2.487 -1.371 1.00 40.21 C ATOM 1144 CD2 LEU A 77 -12.674 3.555 -0.355 1.00 42.31 C ATOM 0 H LEU A 77 -11.454 0.368 1.604 1.00 42.35 H new ATOM 0 HA LEU A 77 -14.117 1.246 0.904 1.00 72.42 H new ATOM 0 HB2 LEU A 77 -11.844 0.280 -0.859 1.00 24.12 H new ATOM 0 HB3 LEU A 77 -13.237 1.218 -1.362 1.00 24.12 H new ATOM 0 HG LEU A 77 -11.277 2.304 0.658 1.00 73.30 H new ATOM 0 HD11 LEU A 77 -10.101 3.411 -1.201 1.00 40.21 H new ATOM 0 HD12 LEU A 77 -9.972 1.639 -1.300 1.00 40.21 H new ATOM 0 HD13 LEU A 77 -11.101 2.510 -2.364 1.00 40.21 H new ATOM 0 HD21 LEU A 77 -12.093 4.464 -0.199 1.00 42.31 H new ATOM 0 HD22 LEU A 77 -13.174 3.605 -1.322 1.00 42.31 H new ATOM 0 HD23 LEU A 77 -13.420 3.461 0.434 1.00 42.31 H new ATOM 1156 N LEU A 78 -13.166 -1.869 0.446 1.00 53.55 N ATOM 1157 CA LEU A 78 -13.651 -3.215 0.160 1.00 74.33 C ATOM 1158 C LEU A 78 -14.805 -3.588 1.085 1.00 2.25 C ATOM 1159 O LEU A 78 -15.672 -4.383 0.723 1.00 22.44 O ATOM 1160 CB LEU A 78 -12.515 -4.230 0.310 1.00 75.43 C ATOM 1161 CG LEU A 78 -11.569 -4.361 -0.885 1.00 15.33 C ATOM 1162 CD1 LEU A 78 -10.634 -3.164 -0.957 1.00 63.53 C ATOM 1163 CD2 LEU A 78 -10.776 -5.657 -0.797 1.00 31.13 C ATOM 0 H LEU A 78 -12.188 -1.825 0.732 1.00 53.55 H new ATOM 0 HA LEU A 78 -14.014 -3.232 -0.868 1.00 74.33 H new ATOM 0 HB2 LEU A 78 -11.926 -3.959 1.186 1.00 75.43 H new ATOM 0 HB3 LEU A 78 -12.953 -5.208 0.510 1.00 75.43 H new ATOM 0 HG LEU A 78 -12.165 -4.385 -1.797 1.00 15.33 H new ATOM 0 HD11 LEU A 78 -9.968 -3.274 -1.813 1.00 63.53 H new ATOM 0 HD12 LEU A 78 -11.219 -2.251 -1.067 1.00 63.53 H new ATOM 0 HD13 LEU A 78 -10.043 -3.108 -0.043 1.00 63.53 H new ATOM 0 HD21 LEU A 78 -10.108 -5.734 -1.655 1.00 31.13 H new ATOM 0 HD22 LEU A 78 -10.189 -5.663 0.121 1.00 31.13 H new ATOM 0 HD23 LEU A 78 -11.462 -6.504 -0.794 1.00 31.13 H new ATOM 1175 N GLU A 79 -14.811 -3.003 2.280 1.00 44.45 N ATOM 1176 CA GLU A 79 -15.860 -3.272 3.256 1.00 55.43 C ATOM 1177 C GLU A 79 -17.231 -2.903 2.696 1.00 41.01 C ATOM 1178 O GLU A 79 -18.251 -3.461 3.101 1.00 35.52 O ATOM 1179 CB GLU A 79 -15.598 -2.495 4.547 1.00 43.02 C ATOM 1180 CG GLU A 79 -14.607 -3.175 5.476 1.00 13.03 C ATOM 1181 CD GLU A 79 -15.251 -4.248 6.332 1.00 14.35 C ATOM 1182 OE1 GLU A 79 -15.408 -5.385 5.839 1.00 50.42 O ATOM 1183 OE2 GLU A 79 -15.600 -3.951 7.494 1.00 71.13 O ATOM 0 H GLU A 79 -14.102 -2.341 2.594 1.00 44.45 H new ATOM 0 HA GLU A 79 -15.852 -4.340 3.476 1.00 55.43 H new ATOM 0 HB2 GLU A 79 -15.224 -1.503 4.294 1.00 43.02 H new ATOM 0 HB3 GLU A 79 -16.541 -2.356 5.075 1.00 43.02 H new ATOM 0 HG2 GLU A 79 -13.806 -3.619 4.885 1.00 13.03 H new ATOM 0 HG3 GLU A 79 -14.148 -2.427 6.122 1.00 13.03 H new ATOM 1190 N LYS A 80 -17.247 -1.958 1.763 1.00 14.33 N ATOM 1191 CA LYS A 80 -18.491 -1.512 1.146 1.00 21.04 C ATOM 1192 C LYS A 80 -18.949 -2.496 0.073 1.00 35.25 C ATOM 1193 O LYS A 80 -20.009 -3.111 0.192 1.00 53.31 O ATOM 1194 CB LYS A 80 -18.312 -0.121 0.534 1.00 24.00 C ATOM 1195 CG LYS A 80 -19.578 0.717 0.546 1.00 51.02 C ATOM 1196 CD LYS A 80 -19.646 1.605 1.777 1.00 15.44 C ATOM 1197 CE LYS A 80 -20.048 0.815 3.012 1.00 53.10 C ATOM 1198 NZ LYS A 80 -18.863 0.286 3.742 1.00 20.43 N ATOM 0 H LYS A 80 -16.412 -1.485 1.417 1.00 14.33 H new ATOM 0 HA LYS A 80 -19.255 -1.465 1.922 1.00 21.04 H new ATOM 0 HB2 LYS A 80 -17.531 0.409 1.079 1.00 24.00 H new ATOM 0 HB3 LYS A 80 -17.967 -0.228 -0.494 1.00 24.00 H new ATOM 0 HG2 LYS A 80 -19.616 1.334 -0.352 1.00 51.02 H new ATOM 0 HG3 LYS A 80 -20.449 0.062 0.520 1.00 51.02 H new ATOM 0 HD2 LYS A 80 -18.676 2.073 1.943 1.00 15.44 H new ATOM 0 HD3 LYS A 80 -20.363 2.408 1.608 1.00 15.44 H new ATOM 0 HE2 LYS A 80 -20.630 1.453 3.678 1.00 53.10 H new ATOM 0 HE3 LYS A 80 -20.694 -0.013 2.719 1.00 53.10 H new ATOM 0 HZ1 LYS A 80 -18.995 -0.729 3.929 1.00 20.43 H new ATOM 0 HZ2 LYS A 80 -18.009 0.423 3.164 1.00 20.43 H new ATOM 0 HZ3 LYS A 80 -18.756 0.793 4.644 1.00 20.43 H new ATOM 1212 N LYS A 81 -18.143 -2.641 -0.972 1.00 2.41 N ATOM 1213 CA LYS A 81 -18.464 -3.552 -2.065 1.00 21.54 C ATOM 1214 C LYS A 81 -18.700 -4.966 -1.543 1.00 60.30 C ATOM 1215 O LYS A 81 -19.526 -5.705 -2.078 1.00 70.12 O ATOM 1216 CB LYS A 81 -17.334 -3.560 -3.098 1.00 22.51 C ATOM 1217 CG LYS A 81 -15.990 -3.975 -2.525 1.00 31.01 C ATOM 1218 CD LYS A 81 -15.740 -5.463 -2.708 1.00 51.23 C ATOM 1219 CE LYS A 81 -15.016 -5.750 -4.014 1.00 24.11 C ATOM 1220 NZ LYS A 81 -13.624 -5.218 -4.005 1.00 14.54 N ATOM 0 H LYS A 81 -17.262 -2.140 -1.086 1.00 2.41 H new ATOM 0 HA LYS A 81 -19.380 -3.201 -2.540 1.00 21.54 H new ATOM 0 HB2 LYS A 81 -17.599 -4.238 -3.909 1.00 22.51 H new ATOM 0 HB3 LYS A 81 -17.243 -2.564 -3.532 1.00 22.51 H new ATOM 0 HG2 LYS A 81 -15.196 -3.409 -3.012 1.00 31.01 H new ATOM 0 HG3 LYS A 81 -15.954 -3.727 -1.464 1.00 31.01 H new ATOM 0 HD2 LYS A 81 -15.149 -5.839 -1.873 1.00 51.23 H new ATOM 0 HD3 LYS A 81 -16.690 -5.997 -2.692 1.00 51.23 H new ATOM 0 HE2 LYS A 81 -14.993 -6.826 -4.187 1.00 24.11 H new ATOM 0 HE3 LYS A 81 -15.569 -5.306 -4.841 1.00 24.11 H new ATOM 0 HZ1 LYS A 81 -13.136 -5.507 -4.877 1.00 14.54 H new ATOM 0 HZ2 LYS A 81 -13.650 -4.180 -3.950 1.00 14.54 H new ATOM 0 HZ3 LYS A 81 -13.113 -5.596 -3.182 1.00 14.54 H new ATOM 1234 N ALA A 82 -17.971 -5.334 -0.494 1.00 43.44 N ATOM 1235 CA ALA A 82 -18.104 -6.657 0.101 1.00 33.20 C ATOM 1236 C ALA A 82 -19.027 -6.623 1.315 1.00 30.41 C ATOM 1237 O ALA A 82 -18.941 -7.479 2.196 1.00 22.15 O ATOM 1238 CB ALA A 82 -16.737 -7.201 0.489 1.00 75.31 C ATOM 0 H ALA A 82 -17.283 -4.734 -0.039 1.00 43.44 H new ATOM 0 HA ALA A 82 -18.549 -7.319 -0.642 1.00 33.20 H new ATOM 0 HB1 ALA A 82 -16.851 -8.190 0.932 1.00 75.31 H new ATOM 0 HB2 ALA A 82 -16.108 -7.272 -0.399 1.00 75.31 H new ATOM 0 HB3 ALA A 82 -16.271 -6.531 1.212 1.00 75.31 H new TER 1244 ALA A 82