USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 588 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 Single : A 15 LYS NZ :NH3+ -170:sc= -0.0373 (180deg=-0.246) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.0466 X(o=-0.047,f=-0.012) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 76:sc= 1.23 USER MOD Single : A 31 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.072 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -1.26 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0.867 K(o=0.87,f=-4.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 90:sc= 1.29 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 60:sc= 1.22 USER MOD Single : A 68 THR OG1 : rot 77:sc= 0.921 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0464 X(o=-0.046,f=-0.046) USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= 1.25 (180deg=1.1) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 77 ASN : amide:sc= 0.938 K(o=0.94,f=-5.9!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 57:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 22.649 0.377 -5.296 1.00 0.00 N ATOM 2 CA LYS A 15 21.709 0.238 -4.161 1.00 0.00 C ATOM 3 C LYS A 15 21.726 -1.192 -3.625 1.00 0.00 C ATOM 4 O LYS A 15 21.583 -2.150 -4.385 1.00 0.00 O ATOM 5 CB LYS A 15 20.288 0.624 -4.596 1.00 0.00 C ATOM 6 CG LYS A 15 19.755 -0.195 -5.764 1.00 0.00 C ATOM 7 CD LYS A 15 18.409 0.317 -6.242 1.00 0.00 C ATOM 8 CE LYS A 15 17.854 -0.539 -7.371 1.00 0.00 C ATOM 9 NZ LYS A 15 18.799 -0.639 -8.518 1.00 0.00 N ATOM 0 HA LYS A 15 22.027 0.911 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.615 0.508 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 15 20.277 1.679 -4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.469 -0.163 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 15 19.661 -1.239 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.705 0.324 -5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.511 1.348 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.636 -1.538 -6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.911 -0.116 -7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 18.319 -1.084 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.120 0.313 -8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.619 -1.216 -8.243 1.00 0.00 H new ATOM 25 N PRO A 16 21.918 -1.353 -2.309 1.00 0.00 N ATOM 26 CA PRO A 16 21.912 -2.668 -1.671 1.00 0.00 C ATOM 27 C PRO A 16 20.496 -3.212 -1.524 1.00 0.00 C ATOM 28 O PRO A 16 19.523 -2.456 -1.571 1.00 0.00 O ATOM 29 CB PRO A 16 22.527 -2.394 -0.300 1.00 0.00 C ATOM 30 CG PRO A 16 22.179 -0.977 -0.011 1.00 0.00 C ATOM 31 CD PRO A 16 22.164 -0.269 -1.339 1.00 0.00 C ATOM 0 HA PRO A 16 22.454 -3.417 -2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 16 22.122 -3.065 0.458 1.00 0.00 H new ATOM 0 HB3 PRO A 16 23.607 -2.543 -0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 16 21.208 -0.907 0.479 1.00 0.00 H new ATOM 0 HG3 PRO A 16 22.908 -0.527 0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 16 21.383 0.490 -1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 16 23.110 0.236 -1.534 1.00 0.00 H new ATOM 39 N GLU A 17 20.375 -4.516 -1.345 1.00 0.00 N ATOM 40 CA GLU A 17 19.067 -5.128 -1.185 1.00 0.00 C ATOM 41 C GLU A 17 18.753 -5.344 0.284 1.00 0.00 C ATOM 42 O GLU A 17 17.760 -5.980 0.631 1.00 0.00 O ATOM 43 CB GLU A 17 18.980 -6.449 -1.949 1.00 0.00 C ATOM 44 CG GLU A 17 19.166 -6.300 -3.447 1.00 0.00 C ATOM 45 CD GLU A 17 18.995 -7.612 -4.182 1.00 0.00 C ATOM 46 OE1 GLU A 17 19.960 -8.403 -4.227 1.00 0.00 O ATOM 47 OE2 GLU A 17 17.892 -7.862 -4.713 1.00 0.00 O ATOM 0 H GLU A 17 21.159 -5.167 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 17 18.326 -4.446 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 17 19.737 -7.132 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 17 18.010 -6.907 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 17 18.447 -5.576 -3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 17 20.160 -5.900 -3.649 1.00 0.00 H new ATOM 54 N VAL A 18 19.594 -4.784 1.138 1.00 0.00 N ATOM 55 CA VAL A 18 19.393 -4.860 2.579 1.00 0.00 C ATOM 56 C VAL A 18 18.235 -3.953 2.968 1.00 0.00 C ATOM 57 O VAL A 18 18.415 -2.749 3.160 1.00 0.00 O ATOM 58 CB VAL A 18 20.658 -4.448 3.363 1.00 0.00 C ATOM 59 CG1 VAL A 18 20.451 -4.631 4.861 1.00 0.00 C ATOM 60 CG2 VAL A 18 21.869 -5.237 2.887 1.00 0.00 C ATOM 0 H VAL A 18 20.428 -4.268 0.858 1.00 0.00 H new ATOM 0 HA VAL A 18 19.171 -5.896 2.835 1.00 0.00 H new ATOM 0 HB VAL A 18 20.844 -3.391 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 18 21.355 -4.334 5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.617 -4.012 5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 18 20.233 -5.678 5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 18 22.749 -4.930 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 18 21.692 -6.302 3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 18 22.035 -5.045 1.827 1.00 0.00 H new ATOM 70 N GLU A 19 17.044 -4.542 3.023 1.00 0.00 N ATOM 71 CA GLU A 19 15.796 -3.812 3.226 1.00 0.00 C ATOM 72 C GLU A 19 15.531 -2.840 2.071 1.00 0.00 C ATOM 73 O GLU A 19 14.573 -2.068 2.106 1.00 0.00 O ATOM 74 CB GLU A 19 15.811 -3.080 4.564 1.00 0.00 C ATOM 75 CG GLU A 19 15.795 -4.008 5.767 1.00 0.00 C ATOM 76 CD GLU A 19 15.569 -3.273 7.072 1.00 0.00 C ATOM 77 OE1 GLU A 19 14.466 -3.400 7.649 1.00 0.00 O ATOM 78 OE2 GLU A 19 16.490 -2.562 7.531 1.00 0.00 O ATOM 0 H GLU A 19 16.917 -5.549 2.927 1.00 0.00 H new ATOM 0 HA GLU A 19 14.981 -4.536 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.699 -2.450 4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.947 -2.417 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.011 -4.754 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.741 -4.546 5.818 1.00 0.00 H new ATOM 85 N HIS A 20 16.383 -2.909 1.044 1.00 0.00 N ATOM 86 CA HIS A 20 16.267 -2.078 -0.158 1.00 0.00 C ATOM 87 C HIS A 20 16.355 -0.590 0.178 1.00 0.00 C ATOM 88 O HIS A 20 16.688 -0.211 1.304 1.00 0.00 O ATOM 89 CB HIS A 20 14.965 -2.385 -0.908 1.00 0.00 C ATOM 90 CG HIS A 20 14.909 -3.776 -1.460 1.00 0.00 C ATOM 91 ND1 HIS A 20 15.390 -4.109 -2.704 1.00 0.00 N ATOM 92 CD2 HIS A 20 14.438 -4.927 -0.922 1.00 0.00 C ATOM 93 CE1 HIS A 20 15.224 -5.401 -2.909 1.00 0.00 C ATOM 94 NE2 HIS A 20 14.647 -5.922 -1.843 1.00 0.00 N ATOM 0 H HIS A 20 17.178 -3.548 1.023 1.00 0.00 H new ATOM 0 HA HIS A 20 17.107 -2.322 -0.808 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.122 -2.236 -0.233 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.849 -1.673 -1.725 1.00 0.00 H new ATOM 0 HD2 HIS A 20 13.983 -5.040 0.051 1.00 0.00 H new ATOM 0 HE1 HIS A 20 15.512 -5.941 -3.799 1.00 0.00 H new ATOM 0 HE2 HIS A 20 14.397 -6.904 -1.723 1.00 0.00 H new ATOM 103 N THR A 21 16.089 0.251 -0.810 1.00 0.00 N ATOM 104 CA THR A 21 16.091 1.688 -0.605 1.00 0.00 C ATOM 105 C THR A 21 14.910 2.102 0.271 1.00 0.00 C ATOM 106 O THR A 21 13.753 2.061 -0.157 1.00 0.00 O ATOM 107 CB THR A 21 16.039 2.439 -1.949 1.00 0.00 C ATOM 108 OG1 THR A 21 17.109 1.989 -2.792 1.00 0.00 O ATOM 109 CG2 THR A 21 16.153 3.943 -1.741 1.00 0.00 C ATOM 0 H THR A 21 15.869 -0.039 -1.763 1.00 0.00 H new ATOM 0 HA THR A 21 17.019 1.954 -0.099 1.00 0.00 H new ATOM 0 HB THR A 21 15.080 2.230 -2.422 1.00 0.00 H new ATOM 0 HG1 THR A 21 17.074 2.466 -3.647 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.113 4.448 -2.706 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.328 4.288 -1.117 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.099 4.172 -1.250 1.00 0.00 H new ATOM 117 N HIS A 22 15.215 2.498 1.500 1.00 0.00 N ATOM 118 CA HIS A 22 14.194 2.836 2.482 1.00 0.00 C ATOM 119 C HIS A 22 13.380 4.033 2.017 1.00 0.00 C ATOM 120 O HIS A 22 12.160 4.051 2.153 1.00 0.00 O ATOM 121 CB HIS A 22 14.824 3.143 3.845 1.00 0.00 C ATOM 122 CG HIS A 22 15.682 2.039 4.386 1.00 0.00 C ATOM 123 ND1 HIS A 22 15.183 0.983 5.115 1.00 0.00 N ATOM 124 CD2 HIS A 22 17.018 1.836 4.303 1.00 0.00 C ATOM 125 CE1 HIS A 22 16.173 0.182 5.455 1.00 0.00 C ATOM 126 NE2 HIS A 22 17.297 0.675 4.977 1.00 0.00 N ATOM 0 H HIS A 22 16.171 2.593 1.842 1.00 0.00 H new ATOM 0 HA HIS A 22 13.536 1.974 2.586 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.426 4.048 3.759 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.030 3.355 4.561 1.00 0.00 H new ATOM 0 HD2 HIS A 22 17.732 2.471 3.799 1.00 0.00 H new ATOM 0 HE1 HIS A 22 16.078 -0.727 6.030 1.00 0.00 H new ATOM 0 HE2 HIS A 22 18.222 0.261 5.090 1.00 0.00 H new ATOM 135 N SER A 23 14.065 5.020 1.450 1.00 0.00 N ATOM 136 CA SER A 23 13.412 6.230 0.966 1.00 0.00 C ATOM 137 C SER A 23 12.373 5.910 -0.109 1.00 0.00 C ATOM 138 O SER A 23 11.318 6.542 -0.171 1.00 0.00 O ATOM 139 CB SER A 23 14.460 7.196 0.415 1.00 0.00 C ATOM 140 OG SER A 23 15.461 7.465 1.384 1.00 0.00 O ATOM 0 H SER A 23 15.076 5.005 1.314 1.00 0.00 H new ATOM 0 HA SER A 23 12.892 6.696 1.803 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.918 6.771 -0.478 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.980 8.127 0.115 1.00 0.00 H new ATOM 0 HG SER A 23 16.122 8.084 1.009 1.00 0.00 H new ATOM 146 N GLU A 24 12.660 4.909 -0.939 1.00 0.00 N ATOM 147 CA GLU A 24 11.755 4.547 -2.020 1.00 0.00 C ATOM 148 C GLU A 24 10.487 3.910 -1.473 1.00 0.00 C ATOM 149 O GLU A 24 9.382 4.266 -1.876 1.00 0.00 O ATOM 150 CB GLU A 24 12.426 3.597 -3.012 1.00 0.00 C ATOM 151 CG GLU A 24 11.496 3.158 -4.132 1.00 0.00 C ATOM 152 CD GLU A 24 12.174 2.270 -5.147 1.00 0.00 C ATOM 153 OE1 GLU A 24 12.810 2.807 -6.077 1.00 0.00 O ATOM 154 OE2 GLU A 24 12.066 1.032 -5.032 1.00 0.00 O ATOM 0 H GLU A 24 13.505 4.341 -0.882 1.00 0.00 H new ATOM 0 HA GLU A 24 11.492 5.465 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.299 4.087 -3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.785 2.717 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.646 2.628 -3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.101 4.040 -4.636 1.00 0.00 H new ATOM 161 N ARG A 25 10.639 2.972 -0.550 1.00 0.00 N ATOM 162 CA ARG A 25 9.477 2.322 0.029 1.00 0.00 C ATOM 163 C ARG A 25 8.699 3.322 0.879 1.00 0.00 C ATOM 164 O ARG A 25 7.470 3.308 0.898 1.00 0.00 O ATOM 165 CB ARG A 25 9.864 1.086 0.851 1.00 0.00 C ATOM 166 CG ARG A 25 10.287 1.372 2.281 1.00 0.00 C ATOM 167 CD ARG A 25 10.212 0.116 3.131 1.00 0.00 C ATOM 168 NE ARG A 25 8.894 -0.513 3.053 1.00 0.00 N ATOM 169 CZ ARG A 25 8.001 -0.518 4.041 1.00 0.00 C ATOM 170 NH1 ARG A 25 8.237 0.127 5.176 1.00 0.00 N ATOM 171 NH2 ARG A 25 6.853 -1.159 3.887 1.00 0.00 N ATOM 0 H ARG A 25 11.538 2.650 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 25 8.841 1.973 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.017 0.401 0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.680 0.571 0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.304 1.763 2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.645 2.143 2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.973 -0.592 2.802 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.435 0.365 4.168 1.00 0.00 H new ATOM 0 HE ARG A 25 8.641 -0.980 2.182 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.112 0.636 5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.543 0.114 5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.655 -1.647 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.167 -1.165 4.642 1.00 0.00 H new ATOM 185 N GLU A 26 9.432 4.208 1.551 1.00 0.00 N ATOM 186 CA GLU A 26 8.841 5.225 2.404 1.00 0.00 C ATOM 187 C GLU A 26 7.876 6.109 1.614 1.00 0.00 C ATOM 188 O GLU A 26 6.769 6.394 2.074 1.00 0.00 O ATOM 189 CB GLU A 26 9.950 6.071 3.033 1.00 0.00 C ATOM 190 CG GLU A 26 9.451 7.206 3.906 1.00 0.00 C ATOM 191 CD GLU A 26 10.584 7.970 4.558 1.00 0.00 C ATOM 192 OE1 GLU A 26 10.886 7.697 5.740 1.00 0.00 O ATOM 193 OE2 GLU A 26 11.188 8.835 3.891 1.00 0.00 O ATOM 0 H GLU A 26 10.451 4.237 1.516 1.00 0.00 H new ATOM 0 HA GLU A 26 8.271 4.734 3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.590 5.423 3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.570 6.485 2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.854 7.890 3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.794 6.806 4.678 1.00 0.00 H new ATOM 200 N LYS A 27 8.283 6.522 0.416 1.00 0.00 N ATOM 201 CA LYS A 27 7.429 7.366 -0.409 1.00 0.00 C ATOM 202 C LYS A 27 6.254 6.562 -0.966 1.00 0.00 C ATOM 203 O LYS A 27 5.154 7.090 -1.117 1.00 0.00 O ATOM 204 CB LYS A 27 8.219 8.035 -1.544 1.00 0.00 C ATOM 205 CG LYS A 27 8.705 7.084 -2.624 1.00 0.00 C ATOM 206 CD LYS A 27 9.365 7.834 -3.768 1.00 0.00 C ATOM 207 CE LYS A 27 9.821 6.890 -4.869 1.00 0.00 C ATOM 208 NZ LYS A 27 10.395 7.624 -6.029 1.00 0.00 N ATOM 0 H LYS A 27 9.185 6.289 0.001 1.00 0.00 H new ATOM 0 HA LYS A 27 7.036 8.159 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.591 8.797 -2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.080 8.548 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.414 6.376 -2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.865 6.503 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.665 8.561 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.221 8.394 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.566 6.201 -4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.976 6.287 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.693 6.944 -6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.676 8.263 -6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.217 8.179 -5.716 1.00 0.00 H new ATOM 222 N ARG A 28 6.482 5.278 -1.245 1.00 0.00 N ATOM 223 CA ARG A 28 5.416 4.411 -1.737 1.00 0.00 C ATOM 224 C ARG A 28 4.343 4.229 -0.672 1.00 0.00 C ATOM 225 O ARG A 28 3.151 4.372 -0.949 1.00 0.00 O ATOM 226 CB ARG A 28 5.952 3.042 -2.164 1.00 0.00 C ATOM 227 CG ARG A 28 6.843 3.076 -3.394 1.00 0.00 C ATOM 228 CD ARG A 28 7.032 1.684 -3.985 1.00 0.00 C ATOM 229 NE ARG A 28 7.533 0.724 -2.998 1.00 0.00 N ATOM 230 CZ ARG A 28 7.980 -0.498 -3.299 1.00 0.00 C ATOM 231 NH1 ARG A 28 7.987 -0.923 -4.560 1.00 0.00 N ATOM 232 NH2 ARG A 28 8.404 -1.301 -2.334 1.00 0.00 N ATOM 0 H ARG A 28 7.387 4.820 -1.139 1.00 0.00 H new ATOM 0 HA ARG A 28 4.982 4.896 -2.612 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.513 2.610 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.109 2.379 -2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.405 3.734 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.814 3.495 -3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.082 1.329 -4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.729 1.738 -4.822 1.00 0.00 H new ATOM 0 HE ARG A 28 7.541 1.007 -2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.649 -0.314 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.330 -1.858 -4.781 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.388 -0.985 -1.364 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.746 -2.235 -2.561 1.00 0.00 H new ATOM 246 N VAL A 29 4.771 3.921 0.549 1.00 0.00 N ATOM 247 CA VAL A 29 3.844 3.768 1.661 1.00 0.00 C ATOM 248 C VAL A 29 3.110 5.078 1.917 1.00 0.00 C ATOM 249 O VAL A 29 1.898 5.085 2.112 1.00 0.00 O ATOM 250 CB VAL A 29 4.558 3.305 2.954 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.566 3.172 4.104 1.00 0.00 C ATOM 252 CG2 VAL A 29 5.279 1.985 2.724 1.00 0.00 C ATOM 0 H VAL A 29 5.751 3.773 0.791 1.00 0.00 H new ATOM 0 HA VAL A 29 3.128 2.994 1.383 1.00 0.00 H new ATOM 0 HB VAL A 29 5.295 4.062 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.091 2.845 5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.094 4.137 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.803 2.439 3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.775 1.676 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.558 1.223 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.022 2.109 1.936 1.00 0.00 H new ATOM 262 N SER A 30 3.842 6.187 1.879 1.00 0.00 N ATOM 263 CA SER A 30 3.245 7.503 2.074 1.00 0.00 C ATOM 264 C SER A 30 2.162 7.771 1.029 1.00 0.00 C ATOM 265 O SER A 30 1.065 8.219 1.367 1.00 0.00 O ATOM 266 CB SER A 30 4.321 8.588 2.019 1.00 0.00 C ATOM 267 OG SER A 30 5.297 8.382 3.031 1.00 0.00 O ATOM 0 H SER A 30 4.849 6.200 1.715 1.00 0.00 H new ATOM 0 HA SER A 30 2.778 7.523 3.059 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.799 8.583 1.040 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.862 9.569 2.144 1.00 0.00 H new ATOM 0 HG SER A 30 5.886 7.643 2.772 1.00 0.00 H new ATOM 273 N ASN A 31 2.468 7.467 -0.231 1.00 0.00 N ATOM 274 CA ASN A 31 1.514 7.640 -1.325 1.00 0.00 C ATOM 275 C ASN A 31 0.284 6.766 -1.124 1.00 0.00 C ATOM 276 O ASN A 31 -0.836 7.168 -1.434 1.00 0.00 O ATOM 277 CB ASN A 31 2.169 7.311 -2.671 1.00 0.00 C ATOM 278 CG ASN A 31 2.960 8.476 -3.234 1.00 0.00 C ATOM 279 OD1 ASN A 31 2.596 9.636 -3.048 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.051 8.180 -3.916 1.00 0.00 N ATOM 0 H ASN A 31 3.374 7.098 -0.520 1.00 0.00 H new ATOM 0 HA ASN A 31 1.201 8.684 -1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.830 6.453 -2.549 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.398 7.021 -3.385 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.624 8.926 -4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.320 7.205 -4.049 1.00 0.00 H new ATOM 287 N ALA A 32 0.497 5.576 -0.597 1.00 0.00 N ATOM 288 CA ALA A 32 -0.592 4.649 -0.343 1.00 0.00 C ATOM 289 C ALA A 32 -1.443 5.117 0.825 1.00 0.00 C ATOM 290 O ALA A 32 -2.666 5.124 0.743 1.00 0.00 O ATOM 291 CB ALA A 32 -0.048 3.258 -0.084 1.00 0.00 C ATOM 0 H ALA A 32 1.418 5.226 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.227 4.616 -1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.875 2.573 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.513 2.919 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.610 3.281 0.785 1.00 0.00 H new ATOM 297 N VAL A 33 -0.788 5.534 1.900 1.00 0.00 N ATOM 298 CA VAL A 33 -1.485 6.009 3.086 1.00 0.00 C ATOM 299 C VAL A 33 -2.334 7.234 2.756 1.00 0.00 C ATOM 300 O VAL A 33 -3.483 7.333 3.181 1.00 0.00 O ATOM 301 CB VAL A 33 -0.489 6.340 4.224 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.195 6.944 5.429 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.264 5.089 4.640 1.00 0.00 C ATOM 0 H VAL A 33 0.229 5.553 1.974 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.141 5.209 3.429 1.00 0.00 H new ATOM 0 HB VAL A 33 0.216 7.079 3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.464 7.163 6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.697 7.865 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.931 6.237 5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.962 5.334 5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.444 4.338 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.815 4.695 3.786 1.00 0.00 H new ATOM 313 N GLU A 34 -1.775 8.150 1.971 1.00 0.00 N ATOM 314 CA GLU A 34 -2.490 9.363 1.600 1.00 0.00 C ATOM 315 C GLU A 34 -3.652 9.052 0.652 1.00 0.00 C ATOM 316 O GLU A 34 -4.710 9.677 0.733 1.00 0.00 O ATOM 317 CB GLU A 34 -1.534 10.394 0.986 1.00 0.00 C ATOM 318 CG GLU A 34 -0.960 10.008 -0.362 1.00 0.00 C ATOM 319 CD GLU A 34 -0.046 11.076 -0.921 1.00 0.00 C ATOM 320 OE1 GLU A 34 1.020 11.334 -0.322 1.00 0.00 O ATOM 321 OE2 GLU A 34 -0.389 11.669 -1.964 1.00 0.00 O ATOM 0 H GLU A 34 -0.835 8.075 1.582 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.912 9.795 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.063 11.341 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.711 10.563 1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.407 9.073 -0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.774 9.826 -1.063 1.00 0.00 H new ATOM 328 N PHE A 35 -3.456 8.074 -0.233 1.00 0.00 N ATOM 329 CA PHE A 35 -4.500 7.668 -1.170 1.00 0.00 C ATOM 330 C PHE A 35 -5.618 6.934 -0.440 1.00 0.00 C ATOM 331 O PHE A 35 -6.797 7.187 -0.673 1.00 0.00 O ATOM 332 CB PHE A 35 -3.904 6.767 -2.261 1.00 0.00 C ATOM 333 CG PHE A 35 -4.926 6.162 -3.188 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.483 6.910 -4.212 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.327 4.843 -3.034 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.419 6.356 -5.064 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.262 4.283 -3.882 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.810 5.041 -4.897 1.00 0.00 C ATOM 0 H PHE A 35 -2.585 7.550 -0.319 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.918 8.562 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.195 7.349 -2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.340 5.964 -1.786 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.182 7.939 -4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.902 4.246 -2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.845 6.950 -5.859 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.564 3.254 -3.751 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.544 4.607 -5.560 1.00 0.00 H new ATOM 348 N LEU A 36 -5.234 6.049 0.464 1.00 0.00 N ATOM 349 CA LEU A 36 -6.183 5.281 1.255 1.00 0.00 C ATOM 350 C LEU A 36 -6.988 6.183 2.182 1.00 0.00 C ATOM 351 O LEU A 36 -8.124 5.870 2.537 1.00 0.00 O ATOM 352 CB LEU A 36 -5.451 4.214 2.056 1.00 0.00 C ATOM 353 CG LEU A 36 -4.830 3.086 1.229 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.061 2.132 2.127 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.901 2.338 0.453 1.00 0.00 C ATOM 0 H LEU A 36 -4.257 5.842 0.671 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.882 4.797 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.662 4.695 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.149 3.777 2.770 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.135 3.527 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.626 1.336 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.267 2.675 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.738 1.700 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.439 1.540 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.622 1.909 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.412 3.028 -0.219 1.00 0.00 H new ATOM 367 N LEU A 37 -6.386 7.290 2.594 1.00 0.00 N ATOM 368 CA LEU A 37 -7.032 8.218 3.512 1.00 0.00 C ATOM 369 C LEU A 37 -7.916 9.223 2.786 1.00 0.00 C ATOM 370 O LEU A 37 -8.453 10.145 3.406 1.00 0.00 O ATOM 371 CB LEU A 37 -5.985 8.968 4.334 1.00 0.00 C ATOM 372 CG LEU A 37 -5.555 8.267 5.618 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.444 9.043 6.308 1.00 0.00 C ATOM 374 CD2 LEU A 37 -6.752 8.111 6.539 1.00 0.00 C ATOM 0 H LEU A 37 -5.448 7.568 2.306 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.666 7.624 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.104 9.130 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.380 9.951 4.589 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.168 7.279 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.152 8.526 7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.584 9.117 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.798 10.044 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.443 7.610 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.155 9.094 6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.519 7.517 6.042 1.00 0.00 H new ATOM 386 N ASP A 38 -8.081 9.046 1.486 1.00 0.00 N ATOM 387 CA ASP A 38 -8.927 9.944 0.717 1.00 0.00 C ATOM 388 C ASP A 38 -10.384 9.571 0.907 1.00 0.00 C ATOM 389 O ASP A 38 -10.737 8.398 0.806 1.00 0.00 O ATOM 390 CB ASP A 38 -8.582 9.888 -0.768 1.00 0.00 C ATOM 391 CG ASP A 38 -9.243 10.999 -1.561 1.00 0.00 C ATOM 392 OD1 ASP A 38 -10.431 10.852 -1.930 1.00 0.00 O ATOM 393 OD2 ASP A 38 -8.579 12.025 -1.823 1.00 0.00 O ATOM 0 H ASP A 38 -7.646 8.298 0.946 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.755 10.958 1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.501 9.954 -0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.890 8.924 -1.173 1.00 0.00 H new ATOM 398 N SER A 39 -11.222 10.569 1.158 1.00 0.00 N ATOM 399 CA SER A 39 -12.634 10.352 1.457 1.00 0.00 C ATOM 400 C SER A 39 -13.322 9.495 0.391 1.00 0.00 C ATOM 401 O SER A 39 -14.142 8.636 0.713 1.00 0.00 O ATOM 402 CB SER A 39 -13.340 11.699 1.590 1.00 0.00 C ATOM 403 OG SER A 39 -12.662 12.529 2.520 1.00 0.00 O ATOM 0 H SER A 39 -10.944 11.550 1.160 1.00 0.00 H new ATOM 0 HA SER A 39 -12.698 9.807 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.382 12.191 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.369 11.546 1.914 1.00 0.00 H new ATOM 0 HG SER A 39 -13.127 13.389 2.591 1.00 0.00 H new ATOM 409 N ARG A 40 -12.971 9.716 -0.869 1.00 0.00 N ATOM 410 CA ARG A 40 -13.566 8.962 -1.967 1.00 0.00 C ATOM 411 C ARG A 40 -13.099 7.511 -1.941 1.00 0.00 C ATOM 412 O ARG A 40 -13.860 6.592 -2.244 1.00 0.00 O ATOM 413 CB ARG A 40 -13.218 9.596 -3.312 1.00 0.00 C ATOM 414 CG ARG A 40 -13.762 11.002 -3.486 1.00 0.00 C ATOM 415 CD ARG A 40 -13.426 11.556 -4.859 1.00 0.00 C ATOM 416 NE ARG A 40 -13.894 12.929 -5.030 1.00 0.00 N ATOM 417 CZ ARG A 40 -14.113 13.496 -6.217 1.00 0.00 C ATOM 418 NH1 ARG A 40 -13.914 12.810 -7.337 1.00 0.00 N ATOM 419 NH2 ARG A 40 -14.536 14.750 -6.282 1.00 0.00 N ATOM 0 H ARG A 40 -12.280 10.409 -1.157 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.648 8.985 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.134 9.620 -3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.606 8.965 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.843 10.996 -3.348 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.347 11.653 -2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.347 11.520 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.875 10.923 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.063 13.487 -4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.592 11.843 -7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.084 13.250 -8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.694 15.280 -5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.704 15.185 -7.189 1.00 0.00 H new ATOM 433 N VAL A 41 -11.840 7.316 -1.571 1.00 0.00 N ATOM 434 CA VAL A 41 -11.246 5.987 -1.523 1.00 0.00 C ATOM 435 C VAL A 41 -11.722 5.236 -0.281 1.00 0.00 C ATOM 436 O VAL A 41 -11.693 4.007 -0.223 1.00 0.00 O ATOM 437 CB VAL A 41 -9.704 6.071 -1.542 1.00 0.00 C ATOM 438 CG1 VAL A 41 -9.070 4.686 -1.526 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.240 6.854 -2.760 1.00 0.00 C ATOM 0 H VAL A 41 -11.207 8.068 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.568 5.439 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.383 6.591 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.984 4.783 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.376 4.156 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.396 4.127 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.151 6.908 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.583 6.354 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.653 7.862 -2.724 1.00 0.00 H new ATOM 449 N ARG A 42 -12.170 5.984 0.717 1.00 0.00 N ATOM 450 CA ARG A 42 -12.782 5.379 1.899 1.00 0.00 C ATOM 451 C ARG A 42 -14.070 4.654 1.515 1.00 0.00 C ATOM 452 O ARG A 42 -14.486 3.708 2.186 1.00 0.00 O ATOM 453 CB ARG A 42 -13.109 6.435 2.960 1.00 0.00 C ATOM 454 CG ARG A 42 -11.983 7.403 3.238 1.00 0.00 C ATOM 455 CD ARG A 42 -10.753 6.701 3.768 1.00 0.00 C ATOM 456 NE ARG A 42 -10.874 6.356 5.183 1.00 0.00 N ATOM 457 CZ ARG A 42 -9.910 5.770 5.892 1.00 0.00 C ATOM 458 NH1 ARG A 42 -8.780 5.391 5.302 1.00 0.00 N ATOM 459 NH2 ARG A 42 -10.082 5.554 7.193 1.00 0.00 N ATOM 0 H ARG A 42 -12.124 7.003 0.736 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.063 4.672 2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.986 6.997 2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.377 5.930 3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.730 7.938 2.322 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.315 8.148 3.961 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.578 5.794 3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.883 7.342 3.626 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.750 6.577 5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.649 5.549 4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.045 4.943 5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.951 5.837 7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.345 5.106 7.737 1.00 0.00 H new ATOM 473 N ARG A 43 -14.688 5.099 0.425 1.00 0.00 N ATOM 474 CA ARG A 43 -15.991 4.585 0.020 1.00 0.00 C ATOM 475 C ARG A 43 -15.855 3.408 -0.938 1.00 0.00 C ATOM 476 O ARG A 43 -16.801 2.645 -1.122 1.00 0.00 O ATOM 477 CB ARG A 43 -16.815 5.687 -0.652 1.00 0.00 C ATOM 478 CG ARG A 43 -16.856 6.992 0.125 1.00 0.00 C ATOM 479 CD ARG A 43 -17.360 6.791 1.543 1.00 0.00 C ATOM 480 NE ARG A 43 -17.333 8.038 2.302 1.00 0.00 N ATOM 481 CZ ARG A 43 -17.038 8.115 3.597 1.00 0.00 C ATOM 482 NH1 ARG A 43 -16.779 7.015 4.293 1.00 0.00 N ATOM 483 NH2 ARG A 43 -17.009 9.298 4.197 1.00 0.00 N ATOM 0 H ARG A 43 -14.307 5.815 -0.194 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.499 4.243 0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.405 5.880 -1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -17.835 5.329 -0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -15.858 7.429 0.153 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -17.501 7.702 -0.392 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -18.378 6.402 1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.746 6.044 2.046 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.554 8.903 1.809 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.805 6.104 3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.553 7.081 5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -17.212 10.144 3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.783 9.361 5.190 1.00 0.00 H new ATOM 497 N THR A 44 -14.686 3.254 -1.544 1.00 0.00 N ATOM 498 CA THR A 44 -14.476 2.186 -2.508 1.00 0.00 C ATOM 499 C THR A 44 -14.140 0.871 -1.808 1.00 0.00 C ATOM 500 O THR A 44 -13.716 0.867 -0.653 1.00 0.00 O ATOM 501 CB THR A 44 -13.357 2.550 -3.503 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.299 3.236 -2.829 1.00 0.00 O ATOM 503 CG2 THR A 44 -13.889 3.413 -4.635 1.00 0.00 C ATOM 0 H THR A 44 -13.874 3.851 -1.386 1.00 0.00 H new ATOM 0 HA THR A 44 -15.407 2.059 -3.060 1.00 0.00 H new ATOM 0 HB THR A 44 -12.973 1.623 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.593 3.460 -3.471 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.077 3.654 -5.321 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.668 2.871 -5.171 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.304 4.334 -4.226 1.00 0.00 H new ATOM 511 N PRO A 45 -14.352 -0.269 -2.488 1.00 0.00 N ATOM 512 CA PRO A 45 -14.008 -1.585 -1.943 1.00 0.00 C ATOM 513 C PRO A 45 -12.501 -1.746 -1.762 1.00 0.00 C ATOM 514 O PRO A 45 -11.708 -1.107 -2.462 1.00 0.00 O ATOM 515 CB PRO A 45 -14.532 -2.565 -2.998 1.00 0.00 C ATOM 516 CG PRO A 45 -14.611 -1.767 -4.253 1.00 0.00 C ATOM 517 CD PRO A 45 -14.954 -0.369 -3.828 1.00 0.00 C ATOM 0 HA PRO A 45 -14.439 -1.746 -0.955 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.863 -3.418 -3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.508 -2.961 -2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.664 -1.791 -4.792 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.370 -2.169 -4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.541 0.373 -4.512 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.032 -0.210 -3.798 1.00 0.00 H new ATOM 525 N THR A 46 -12.112 -2.606 -0.830 1.00 0.00 N ATOM 526 CA THR A 46 -10.706 -2.813 -0.507 1.00 0.00 C ATOM 527 C THR A 46 -9.923 -3.292 -1.729 1.00 0.00 C ATOM 528 O THR A 46 -8.779 -2.889 -1.941 1.00 0.00 O ATOM 529 CB THR A 46 -10.550 -3.851 0.614 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.703 -3.821 1.467 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.307 -3.575 1.441 1.00 0.00 C ATOM 0 H THR A 46 -12.756 -3.175 -0.281 1.00 0.00 H new ATOM 0 HA THR A 46 -10.309 -1.853 -0.177 1.00 0.00 H new ATOM 0 HB THR A 46 -10.453 -4.835 0.155 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.600 -4.486 2.180 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.220 -4.324 2.228 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.427 -3.618 0.800 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.381 -2.584 1.890 1.00 0.00 H new ATOM 539 N SER A 47 -10.557 -4.137 -2.534 1.00 0.00 N ATOM 540 CA SER A 47 -9.914 -4.706 -3.709 1.00 0.00 C ATOM 541 C SER A 47 -9.448 -3.617 -4.670 1.00 0.00 C ATOM 542 O SER A 47 -8.347 -3.689 -5.214 1.00 0.00 O ATOM 543 CB SER A 47 -10.867 -5.671 -4.411 1.00 0.00 C ATOM 544 OG SER A 47 -11.356 -6.641 -3.500 1.00 0.00 O ATOM 0 H SER A 47 -11.520 -4.443 -2.392 1.00 0.00 H new ATOM 0 HA SER A 47 -9.031 -5.255 -3.381 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.701 -5.117 -4.843 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.351 -6.165 -5.235 1.00 0.00 H new ATOM 0 HG SER A 47 -11.966 -7.250 -3.966 1.00 0.00 H new ATOM 550 N SER A 48 -10.279 -2.600 -4.852 1.00 0.00 N ATOM 551 CA SER A 48 -9.946 -1.485 -5.712 1.00 0.00 C ATOM 552 C SER A 48 -8.737 -0.729 -5.176 1.00 0.00 C ATOM 553 O SER A 48 -7.820 -0.392 -5.924 1.00 0.00 O ATOM 554 CB SER A 48 -11.145 -0.556 -5.805 1.00 0.00 C ATOM 555 OG SER A 48 -12.258 -1.228 -6.371 1.00 0.00 O ATOM 0 H SER A 48 -11.195 -2.529 -4.409 1.00 0.00 H new ATOM 0 HA SER A 48 -9.694 -1.862 -6.703 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.403 -0.187 -4.812 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.892 0.313 -6.412 1.00 0.00 H new ATOM 0 HG SER A 48 -13.020 -0.614 -6.421 1.00 0.00 H new ATOM 561 N LYS A 49 -8.743 -0.489 -3.871 1.00 0.00 N ATOM 562 CA LYS A 49 -7.651 0.214 -3.210 1.00 0.00 C ATOM 563 C LYS A 49 -6.335 -0.520 -3.433 1.00 0.00 C ATOM 564 O LYS A 49 -5.331 0.076 -3.820 1.00 0.00 O ATOM 565 CB LYS A 49 -7.919 0.305 -1.709 1.00 0.00 C ATOM 566 CG LYS A 49 -9.291 0.843 -1.347 1.00 0.00 C ATOM 567 CD LYS A 49 -9.507 0.825 0.158 1.00 0.00 C ATOM 568 CE LYS A 49 -10.960 1.080 0.512 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.185 1.100 1.981 1.00 0.00 N ATOM 0 H LYS A 49 -9.497 -0.773 -3.246 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.584 1.216 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.804 -0.687 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.161 0.943 -1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.396 1.862 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.060 0.244 -1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.197 -0.140 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.879 1.582 0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.274 2.032 0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.583 0.307 0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.191 1.277 2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.910 0.183 2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.611 1.854 2.410 1.00 0.00 H new ATOM 583 N VAL A 50 -6.365 -1.826 -3.204 1.00 0.00 N ATOM 584 CA VAL A 50 -5.164 -2.653 -3.293 1.00 0.00 C ATOM 585 C VAL A 50 -4.649 -2.736 -4.728 1.00 0.00 C ATOM 586 O VAL A 50 -3.452 -2.589 -4.981 1.00 0.00 O ATOM 587 CB VAL A 50 -5.425 -4.078 -2.757 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.192 -4.957 -2.904 1.00 0.00 C ATOM 589 CG2 VAL A 50 -5.867 -4.028 -1.303 1.00 0.00 C ATOM 0 H VAL A 50 -7.210 -2.339 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.404 -2.175 -2.675 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.225 -4.517 -3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.407 -5.953 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.919 -5.027 -3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.365 -4.521 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.046 -5.041 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.087 -3.561 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.785 -3.446 -1.222 1.00 0.00 H new ATOM 599 N HIS A 51 -5.561 -2.956 -5.669 1.00 0.00 N ATOM 600 CA HIS A 51 -5.189 -3.104 -7.074 1.00 0.00 C ATOM 601 C HIS A 51 -4.591 -1.811 -7.614 1.00 0.00 C ATOM 602 O HIS A 51 -3.666 -1.839 -8.427 1.00 0.00 O ATOM 603 CB HIS A 51 -6.404 -3.509 -7.920 1.00 0.00 C ATOM 604 CG HIS A 51 -6.906 -4.897 -7.650 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.851 -5.521 -8.434 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.586 -5.785 -6.679 1.00 0.00 C ATOM 607 CE1 HIS A 51 -8.089 -6.729 -7.957 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.334 -6.914 -6.893 1.00 0.00 N ATOM 0 H HIS A 51 -6.561 -3.036 -5.486 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.438 -3.892 -7.138 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.212 -2.801 -7.738 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.141 -3.428 -8.975 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.873 -5.632 -5.883 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.785 -7.445 -8.369 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.310 -7.759 -6.322 1.00 0.00 H new ATOM 617 N PHE A 52 -5.114 -0.683 -7.150 1.00 0.00 N ATOM 618 CA PHE A 52 -4.614 0.616 -7.573 1.00 0.00 C ATOM 619 C PHE A 52 -3.193 0.832 -7.059 1.00 0.00 C ATOM 620 O PHE A 52 -2.309 1.252 -7.806 1.00 0.00 O ATOM 621 CB PHE A 52 -5.531 1.735 -7.071 1.00 0.00 C ATOM 622 CG PHE A 52 -5.200 3.086 -7.640 1.00 0.00 C ATOM 623 CD1 PHE A 52 -5.800 3.523 -8.809 1.00 0.00 C ATOM 624 CD2 PHE A 52 -4.289 3.918 -7.009 1.00 0.00 C ATOM 625 CE1 PHE A 52 -5.495 4.760 -9.340 1.00 0.00 C ATOM 626 CE2 PHE A 52 -3.981 5.155 -7.535 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.585 5.578 -8.702 1.00 0.00 C ATOM 0 H PHE A 52 -5.883 -0.643 -6.481 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.601 0.640 -8.663 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.563 1.488 -7.321 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.470 1.783 -5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.515 2.888 -9.311 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.815 3.594 -6.095 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.968 5.087 -10.254 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.268 5.793 -7.034 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.346 6.547 -9.115 1.00 0.00 H new ATOM 637 N LEU A 53 -2.977 0.525 -5.784 1.00 0.00 N ATOM 638 CA LEU A 53 -1.668 0.695 -5.165 1.00 0.00 C ATOM 639 C LEU A 53 -0.641 -0.224 -5.812 1.00 0.00 C ATOM 640 O LEU A 53 0.512 0.162 -6.007 1.00 0.00 O ATOM 641 CB LEU A 53 -1.746 0.426 -3.662 1.00 0.00 C ATOM 642 CG LEU A 53 -2.660 1.372 -2.882 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.687 0.995 -1.411 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.212 2.816 -3.058 1.00 0.00 C ATOM 0 H LEU A 53 -3.693 0.156 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.352 1.727 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.091 -0.597 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.741 0.489 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.671 1.277 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.342 1.679 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.059 -0.024 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.679 1.059 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.875 3.474 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.192 2.928 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.248 3.082 -4.114 1.00 0.00 H new ATOM 656 N LYS A 54 -1.062 -1.435 -6.157 1.00 0.00 N ATOM 657 CA LYS A 54 -0.185 -2.363 -6.855 1.00 0.00 C ATOM 658 C LYS A 54 0.195 -1.794 -8.219 1.00 0.00 C ATOM 659 O LYS A 54 1.339 -1.906 -8.656 1.00 0.00 O ATOM 660 CB LYS A 54 -0.850 -3.725 -7.041 1.00 0.00 C ATOM 661 CG LYS A 54 0.119 -4.786 -7.542 1.00 0.00 C ATOM 662 CD LYS A 54 -0.589 -5.987 -8.145 1.00 0.00 C ATOM 663 CE LYS A 54 -1.333 -5.610 -9.414 1.00 0.00 C ATOM 664 NZ LYS A 54 -1.872 -6.798 -10.123 1.00 0.00 N ATOM 0 H LYS A 54 -1.998 -1.794 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 54 0.710 -2.498 -6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.278 -4.049 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.675 -3.629 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.779 -4.346 -8.289 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.748 -5.117 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.139 -6.768 -8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.290 -6.401 -7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.152 -4.935 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.662 -5.066 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.371 -6.492 -10.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.089 -7.431 -10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.533 -7.304 -9.500 1.00 0.00 H new ATOM 678 N SER A 55 -0.774 -1.163 -8.874 1.00 0.00 N ATOM 679 CA SER A 55 -0.556 -0.554 -10.175 1.00 0.00 C ATOM 680 C SER A 55 0.365 0.663 -10.061 1.00 0.00 C ATOM 681 O SER A 55 0.911 1.141 -11.057 1.00 0.00 O ATOM 682 CB SER A 55 -1.899 -0.154 -10.778 1.00 0.00 C ATOM 683 OG SER A 55 -2.766 -1.277 -10.886 1.00 0.00 O ATOM 0 H SER A 55 -1.725 -1.061 -8.519 1.00 0.00 H new ATOM 0 HA SER A 55 -0.069 -1.279 -10.828 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.366 0.612 -10.158 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.743 0.285 -11.763 1.00 0.00 H new ATOM 0 HG SER A 55 -3.293 -1.364 -10.064 1.00 0.00 H new ATOM 689 N LYS A 56 0.538 1.152 -8.838 1.00 0.00 N ATOM 690 CA LYS A 56 1.457 2.244 -8.563 1.00 0.00 C ATOM 691 C LYS A 56 2.873 1.714 -8.349 1.00 0.00 C ATOM 692 O LYS A 56 3.818 2.482 -8.167 1.00 0.00 O ATOM 693 CB LYS A 56 0.994 3.017 -7.328 1.00 0.00 C ATOM 694 CG LYS A 56 -0.167 3.964 -7.585 1.00 0.00 C ATOM 695 CD LYS A 56 0.223 5.082 -8.541 1.00 0.00 C ATOM 696 CE LYS A 56 -0.872 6.131 -8.643 1.00 0.00 C ATOM 697 NZ LYS A 56 -0.499 7.242 -9.556 1.00 0.00 N ATOM 0 H LYS A 56 0.047 0.803 -8.015 1.00 0.00 H new ATOM 0 HA LYS A 56 1.466 2.915 -9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.703 2.305 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.835 3.589 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.007 3.407 -7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.504 4.393 -6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.146 5.550 -8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.423 4.665 -9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.790 5.663 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.082 6.532 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.274 7.934 -9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.362 7.707 -9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.323 6.864 -10.509 1.00 0.00 H new ATOM 711 N GLY A 57 3.009 0.395 -8.362 1.00 0.00 N ATOM 712 CA GLY A 57 4.313 -0.219 -8.215 1.00 0.00 C ATOM 713 C GLY A 57 4.568 -0.719 -6.809 1.00 0.00 C ATOM 714 O GLY A 57 5.644 -1.241 -6.518 1.00 0.00 O ATOM 0 H GLY A 57 2.237 -0.262 -8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.399 -1.051 -8.913 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.083 0.504 -8.484 1.00 0.00 H new ATOM 718 N LEU A 58 3.584 -0.567 -5.933 1.00 0.00 N ATOM 719 CA LEU A 58 3.728 -1.018 -4.556 1.00 0.00 C ATOM 720 C LEU A 58 3.704 -2.532 -4.465 1.00 0.00 C ATOM 721 O LEU A 58 3.048 -3.207 -5.260 1.00 0.00 O ATOM 722 CB LEU A 58 2.633 -0.448 -3.655 1.00 0.00 C ATOM 723 CG LEU A 58 2.927 0.918 -3.039 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.698 2.037 -4.043 1.00 0.00 C ATOM 725 CD2 LEU A 58 2.084 1.112 -1.793 1.00 0.00 C ATOM 0 H LEU A 58 2.684 -0.138 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 58 4.695 -0.651 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.713 -0.374 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.446 -1.157 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 58 3.979 0.954 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.916 2.997 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.354 1.895 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.660 2.022 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.298 2.088 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.028 1.055 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.320 0.332 -1.069 1.00 0.00 H new ATOM 737 N SER A 59 4.427 -3.051 -3.492 1.00 0.00 N ATOM 738 CA SER A 59 4.438 -4.470 -3.216 1.00 0.00 C ATOM 739 C SER A 59 3.352 -4.793 -2.196 1.00 0.00 C ATOM 740 O SER A 59 2.822 -3.889 -1.546 1.00 0.00 O ATOM 741 CB SER A 59 5.807 -4.877 -2.681 1.00 0.00 C ATOM 742 OG SER A 59 6.847 -4.356 -3.494 1.00 0.00 O ATOM 0 H SER A 59 5.022 -2.500 -2.873 1.00 0.00 H new ATOM 0 HA SER A 59 4.242 -5.026 -4.133 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.924 -4.516 -1.659 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.879 -5.964 -2.645 1.00 0.00 H new ATOM 0 HG SER A 59 7.715 -4.629 -3.130 1.00 0.00 H new ATOM 748 N ALA A 60 3.035 -6.070 -2.046 1.00 0.00 N ATOM 749 CA ALA A 60 1.977 -6.497 -1.139 1.00 0.00 C ATOM 750 C ALA A 60 2.242 -6.037 0.294 1.00 0.00 C ATOM 751 O ALA A 60 1.325 -5.612 0.997 1.00 0.00 O ATOM 752 CB ALA A 60 1.820 -8.009 -1.197 1.00 0.00 C ATOM 0 H ALA A 60 3.497 -6.832 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 60 1.047 -6.030 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.027 -8.319 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.564 -8.309 -2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.756 -8.484 -0.904 1.00 0.00 H new ATOM 758 N GLU A 61 3.500 -6.102 0.715 1.00 0.00 N ATOM 759 CA GLU A 61 3.879 -5.696 2.066 1.00 0.00 C ATOM 760 C GLU A 61 3.717 -4.191 2.261 1.00 0.00 C ATOM 761 O GLU A 61 3.349 -3.735 3.346 1.00 0.00 O ATOM 762 CB GLU A 61 5.319 -6.103 2.356 1.00 0.00 C ATOM 763 CG GLU A 61 5.520 -7.604 2.407 1.00 0.00 C ATOM 764 CD GLU A 61 6.976 -7.985 2.510 1.00 0.00 C ATOM 765 OE1 GLU A 61 7.468 -8.169 3.642 1.00 0.00 O ATOM 766 OE2 GLU A 61 7.635 -8.111 1.456 1.00 0.00 O ATOM 0 H GLU A 61 4.276 -6.432 0.141 1.00 0.00 H new ATOM 0 HA GLU A 61 3.213 -6.203 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.969 -5.682 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.627 -5.670 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.979 -8.012 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.091 -8.056 1.513 1.00 0.00 H new ATOM 773 N GLU A 62 3.986 -3.429 1.209 1.00 0.00 N ATOM 774 CA GLU A 62 3.852 -1.978 1.259 1.00 0.00 C ATOM 775 C GLU A 62 2.393 -1.611 1.466 1.00 0.00 C ATOM 776 O GLU A 62 2.054 -0.764 2.294 1.00 0.00 O ATOM 777 CB GLU A 62 4.358 -1.355 -0.043 1.00 0.00 C ATOM 778 CG GLU A 62 5.689 -1.917 -0.510 1.00 0.00 C ATOM 779 CD GLU A 62 6.820 -1.641 0.454 1.00 0.00 C ATOM 780 OE1 GLU A 62 6.916 -2.343 1.482 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.622 -0.731 0.177 1.00 0.00 O ATOM 0 H GLU A 62 4.299 -3.792 0.309 1.00 0.00 H new ATOM 0 HA GLU A 62 4.447 -1.595 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.614 -1.511 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.456 -0.278 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.593 -2.994 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.936 -1.490 -1.482 1.00 0.00 H new ATOM 788 N ILE A 63 1.540 -2.281 0.706 1.00 0.00 N ATOM 789 CA ILE A 63 0.102 -2.099 0.799 1.00 0.00 C ATOM 790 C ILE A 63 -0.396 -2.509 2.186 1.00 0.00 C ATOM 791 O ILE A 63 -1.217 -1.821 2.794 1.00 0.00 O ATOM 792 CB ILE A 63 -0.609 -2.928 -0.293 1.00 0.00 C ATOM 793 CG1 ILE A 63 -0.065 -2.549 -1.674 1.00 0.00 C ATOM 794 CG2 ILE A 63 -2.113 -2.713 -0.238 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.537 -3.458 -2.789 1.00 0.00 C ATOM 0 H ILE A 63 1.827 -2.966 0.007 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.129 -1.045 0.645 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.411 -3.984 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.362 -1.525 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.024 -2.565 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.594 -3.306 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.489 -3.021 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.336 -1.658 -0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.110 -3.125 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.217 -4.480 -2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.625 -3.424 -2.850 1.00 0.00 H new ATOM 807 N CYS A 64 0.137 -3.621 2.681 1.00 0.00 N ATOM 808 CA CYS A 64 -0.191 -4.132 4.010 1.00 0.00 C ATOM 809 C CYS A 64 0.094 -3.089 5.094 1.00 0.00 C ATOM 810 O CYS A 64 -0.741 -2.845 5.974 1.00 0.00 O ATOM 811 CB CYS A 64 0.617 -5.408 4.276 1.00 0.00 C ATOM 812 SG CYS A 64 0.477 -6.064 5.955 1.00 0.00 S ATOM 0 H CYS A 64 0.810 -4.195 2.173 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.257 -4.358 4.042 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.295 -6.177 3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.667 -5.205 4.068 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.766 -6.348 6.208 1.00 0.00 H new ATOM 818 N GLU A 65 1.266 -2.468 5.021 1.00 0.00 N ATOM 819 CA GLU A 65 1.668 -1.479 6.000 1.00 0.00 C ATOM 820 C GLU A 65 0.801 -0.232 5.893 1.00 0.00 C ATOM 821 O GLU A 65 0.281 0.259 6.895 1.00 0.00 O ATOM 822 CB GLU A 65 3.138 -1.119 5.806 1.00 0.00 C ATOM 823 CG GLU A 65 3.589 0.019 6.693 1.00 0.00 C ATOM 824 CD GLU A 65 5.077 0.278 6.609 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.492 1.446 6.750 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.842 -0.686 6.401 1.00 0.00 O ATOM 0 H GLU A 65 1.954 -2.637 4.287 1.00 0.00 H new ATOM 0 HA GLU A 65 1.535 -1.903 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.751 -1.997 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.306 -0.848 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.051 0.925 6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.322 -0.205 7.726 1.00 0.00 H new ATOM 833 N ALA A 66 0.634 0.256 4.670 1.00 0.00 N ATOM 834 CA ALA A 66 -0.144 1.462 4.421 1.00 0.00 C ATOM 835 C ALA A 66 -1.560 1.326 4.957 1.00 0.00 C ATOM 836 O ALA A 66 -2.061 2.230 5.622 1.00 0.00 O ATOM 837 CB ALA A 66 -0.175 1.773 2.935 1.00 0.00 C ATOM 0 H ALA A 66 1.030 -0.168 3.831 1.00 0.00 H new ATOM 0 HA ALA A 66 0.339 2.286 4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.760 2.677 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.842 1.926 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.629 0.940 2.398 1.00 0.00 H new ATOM 843 N PHE A 67 -2.191 0.190 4.684 1.00 0.00 N ATOM 844 CA PHE A 67 -3.540 -0.066 5.167 1.00 0.00 C ATOM 845 C PHE A 67 -3.610 0.031 6.681 1.00 0.00 C ATOM 846 O PHE A 67 -4.515 0.656 7.233 1.00 0.00 O ATOM 847 CB PHE A 67 -4.021 -1.440 4.711 1.00 0.00 C ATOM 848 CG PHE A 67 -4.857 -1.391 3.470 1.00 0.00 C ATOM 849 CD1 PHE A 67 -4.290 -1.562 2.221 1.00 0.00 C ATOM 850 CD2 PHE A 67 -6.218 -1.170 3.557 1.00 0.00 C ATOM 851 CE1 PHE A 67 -5.067 -1.513 1.082 1.00 0.00 C ATOM 852 CE2 PHE A 67 -7.001 -1.121 2.425 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.424 -1.294 1.185 1.00 0.00 C ATOM 0 H PHE A 67 -1.789 -0.567 4.131 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.193 0.697 4.744 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.157 -2.080 4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.599 -1.900 5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.227 -1.736 2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.674 -1.034 4.526 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.613 -1.646 0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.064 -0.948 2.509 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.035 -1.258 0.295 1.00 0.00 H new ATOM 863 N THR A 68 -2.648 -0.568 7.355 1.00 0.00 N ATOM 864 CA THR A 68 -2.646 -0.578 8.805 1.00 0.00 C ATOM 865 C THR A 68 -2.474 0.840 9.348 1.00 0.00 C ATOM 866 O THR A 68 -3.043 1.196 10.381 1.00 0.00 O ATOM 867 CB THR A 68 -1.534 -1.495 9.340 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.587 -2.764 8.666 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.683 -1.711 10.837 1.00 0.00 C ATOM 0 H THR A 68 -1.861 -1.052 6.924 1.00 0.00 H new ATOM 0 HA THR A 68 -3.605 -0.967 9.146 1.00 0.00 H new ATOM 0 HB THR A 68 -0.573 -1.016 9.152 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.197 -2.676 7.771 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.885 -2.363 11.192 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.623 -0.752 11.351 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.648 -2.174 11.044 1.00 0.00 H new ATOM 877 N LYS A 69 -1.719 1.657 8.622 1.00 0.00 N ATOM 878 CA LYS A 69 -1.476 3.036 9.022 1.00 0.00 C ATOM 879 C LYS A 69 -2.720 3.902 8.839 1.00 0.00 C ATOM 880 O LYS A 69 -2.900 4.892 9.546 1.00 0.00 O ATOM 881 CB LYS A 69 -0.306 3.623 8.234 1.00 0.00 C ATOM 882 CG LYS A 69 0.999 2.873 8.457 1.00 0.00 C ATOM 883 CD LYS A 69 2.172 3.818 8.648 1.00 0.00 C ATOM 884 CE LYS A 69 2.494 4.584 7.383 1.00 0.00 C ATOM 885 NZ LYS A 69 3.718 5.414 7.535 1.00 0.00 N ATOM 0 H LYS A 69 -1.264 1.386 7.750 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.224 3.031 10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.548 3.610 7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.172 4.667 8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.904 2.232 9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.193 2.222 7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.945 4.521 9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.048 3.250 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.630 3.884 6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.651 5.224 7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.905 5.923 6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.579 6.100 8.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.528 4.801 7.759 1.00 0.00 H new ATOM 899 N VAL A 70 -3.576 3.531 7.894 1.00 0.00 N ATOM 900 CA VAL A 70 -4.789 4.304 7.623 1.00 0.00 C ATOM 901 C VAL A 70 -5.959 3.840 8.490 1.00 0.00 C ATOM 902 O VAL A 70 -7.097 4.280 8.302 1.00 0.00 O ATOM 903 CB VAL A 70 -5.196 4.240 6.131 1.00 0.00 C ATOM 904 CG1 VAL A 70 -4.012 4.589 5.248 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.771 2.878 5.756 1.00 0.00 C ATOM 0 H VAL A 70 -3.457 2.707 7.305 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.552 5.338 7.874 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.984 4.976 5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.312 4.540 4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.669 5.597 5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.203 3.881 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.044 2.876 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.025 2.105 5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.656 2.678 6.360 1.00 0.00 H new ATOM 915 N GLY A 71 -5.675 2.950 9.435 1.00 0.00 N ATOM 916 CA GLY A 71 -6.699 2.500 10.357 1.00 0.00 C ATOM 917 C GLY A 71 -7.395 1.241 9.889 1.00 0.00 C ATOM 918 O GLY A 71 -8.482 0.906 10.365 1.00 0.00 O ATOM 0 H GLY A 71 -4.755 2.533 9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.249 2.320 11.333 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.437 3.291 10.488 1.00 0.00 H new ATOM 922 N GLN A 72 -6.777 0.547 8.950 1.00 0.00 N ATOM 923 CA GLN A 72 -7.324 -0.694 8.432 1.00 0.00 C ATOM 924 C GLN A 72 -6.269 -1.793 8.520 1.00 0.00 C ATOM 925 O GLN A 72 -5.478 -1.978 7.599 1.00 0.00 O ATOM 926 CB GLN A 72 -7.765 -0.484 6.978 1.00 0.00 C ATOM 927 CG GLN A 72 -8.315 -1.724 6.291 1.00 0.00 C ATOM 928 CD GLN A 72 -9.657 -2.157 6.829 1.00 0.00 C ATOM 929 OE1 GLN A 72 -9.742 -2.975 7.748 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.715 -1.597 6.267 1.00 0.00 N ATOM 0 H GLN A 72 -5.890 0.824 8.529 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.189 -0.995 9.023 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.527 0.295 6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.914 -0.116 6.405 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.405 -1.529 5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.603 -2.541 6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.594 -0.925 5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.652 -1.837 6.591 1.00 0.00 H new ATOM 939 N PRO A 73 -6.238 -2.538 9.630 1.00 0.00 N ATOM 940 CA PRO A 73 -5.225 -3.567 9.843 1.00 0.00 C ATOM 941 C PRO A 73 -5.391 -4.745 8.889 1.00 0.00 C ATOM 942 O PRO A 73 -6.308 -5.554 9.027 1.00 0.00 O ATOM 943 CB PRO A 73 -5.429 -3.995 11.297 1.00 0.00 C ATOM 944 CG PRO A 73 -6.830 -3.607 11.631 1.00 0.00 C ATOM 945 CD PRO A 73 -7.171 -2.425 10.763 1.00 0.00 C ATOM 0 HA PRO A 73 -4.219 -3.194 9.650 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.280 -5.068 11.415 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.716 -3.499 11.956 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.515 -4.434 11.445 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.919 -3.350 12.687 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.209 -2.459 10.431 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.038 -1.485 11.298 1.00 0.00 H new ATOM 953 N LYS A 74 -4.510 -4.812 7.905 1.00 0.00 N ATOM 954 CA LYS A 74 -4.549 -5.871 6.914 1.00 0.00 C ATOM 955 C LYS A 74 -3.301 -6.725 6.989 1.00 0.00 C ATOM 956 O LYS A 74 -2.197 -6.213 7.181 1.00 0.00 O ATOM 957 CB LYS A 74 -4.696 -5.295 5.502 1.00 0.00 C ATOM 958 CG LYS A 74 -6.087 -4.762 5.200 1.00 0.00 C ATOM 959 CD LYS A 74 -7.128 -5.861 5.319 1.00 0.00 C ATOM 960 CE LYS A 74 -8.519 -5.368 4.967 1.00 0.00 C ATOM 961 NZ LYS A 74 -9.540 -6.428 5.169 1.00 0.00 N ATOM 0 H LYS A 74 -3.754 -4.140 7.772 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.417 -6.494 7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.972 -4.491 5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.448 -6.069 4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.328 -3.952 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.109 -4.342 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.859 -6.687 4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.129 -6.251 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.766 -4.502 5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.537 -5.037 3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.359 -6.242 4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.131 -7.354 4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.845 -6.431 6.163 1.00 0.00 H new ATOM 975 N THR A 75 -3.488 -8.023 6.857 1.00 0.00 N ATOM 976 CA THR A 75 -2.384 -8.958 6.828 1.00 0.00 C ATOM 977 C THR A 75 -1.865 -9.118 5.407 1.00 0.00 C ATOM 978 O THR A 75 -2.508 -8.678 4.449 1.00 0.00 O ATOM 979 CB THR A 75 -2.817 -10.332 7.370 1.00 0.00 C ATOM 980 OG1 THR A 75 -4.041 -10.742 6.740 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.003 -10.291 8.880 1.00 0.00 C ATOM 0 H THR A 75 -4.407 -8.457 6.767 1.00 0.00 H new ATOM 0 HA THR A 75 -1.591 -8.561 7.462 1.00 0.00 H new ATOM 0 HB THR A 75 -2.031 -11.051 7.142 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.311 -11.618 7.088 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.309 -11.275 9.236 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.063 -10.009 9.355 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.770 -9.559 9.132 1.00 0.00 H new ATOM 989 N LEU A 76 -0.705 -9.741 5.273 1.00 0.00 N ATOM 990 CA LEU A 76 -0.140 -10.024 3.965 1.00 0.00 C ATOM 991 C LEU A 76 -1.054 -10.980 3.207 1.00 0.00 C ATOM 992 O LEU A 76 -1.192 -10.897 1.985 1.00 0.00 O ATOM 993 CB LEU A 76 1.258 -10.625 4.116 1.00 0.00 C ATOM 994 CG LEU A 76 1.998 -10.886 2.806 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.207 -9.589 2.044 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.328 -11.570 3.072 1.00 0.00 C ATOM 0 H LEU A 76 -0.136 -10.061 6.057 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.056 -9.095 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.861 -9.954 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.175 -11.565 4.661 1.00 0.00 H new ATOM 0 HG LEU A 76 1.388 -11.549 2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.736 -9.795 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.240 -9.139 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.795 -8.901 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.841 -11.748 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.945 -10.932 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.154 -12.521 3.575 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.693 -11.865 3.963 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.647 -12.823 3.419 1.00 0.00 C ATOM 1010 C ASN A 77 -3.776 -12.105 2.694 1.00 0.00 C ATOM 1011 O ASN A 77 -4.148 -12.477 1.581 1.00 0.00 O ATOM 1012 CB ASN A 77 -3.224 -13.672 4.552 1.00 0.00 C ATOM 1013 CG ASN A 77 -4.209 -14.718 4.064 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -4.095 -15.234 2.955 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -5.190 -15.032 4.892 1.00 0.00 N ATOM 0 H ASN A 77 -1.564 -11.938 4.972 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.128 -13.464 2.706 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.409 -14.167 5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.720 -13.020 5.271 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.886 -15.725 4.618 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.251 -14.581 5.805 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.303 -11.064 3.331 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.376 -10.264 2.749 1.00 0.00 C ATOM 1024 C GLU A 78 -4.957 -9.684 1.409 1.00 0.00 C ATOM 1025 O GLU A 78 -5.679 -9.799 0.424 1.00 0.00 O ATOM 1026 CB GLU A 78 -5.775 -9.128 3.691 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.798 -9.525 4.739 1.00 0.00 C ATOM 1028 CD GLU A 78 -8.176 -9.746 4.152 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -8.533 -10.908 3.867 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -8.920 -8.757 3.982 1.00 0.00 O ATOM 0 H GLU A 78 -4.003 -10.753 4.255 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.232 -10.922 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.882 -8.755 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.176 -8.304 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.468 -10.437 5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.852 -8.748 5.502 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.777 -9.088 1.374 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.303 -8.415 0.177 1.00 0.00 C ATOM 1039 C ILE A 79 -3.122 -9.409 -0.969 1.00 0.00 C ATOM 1040 O ILE A 79 -3.568 -9.163 -2.089 1.00 0.00 O ATOM 1041 CB ILE A 79 -1.980 -7.665 0.434 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.100 -6.765 1.672 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.598 -6.836 -0.783 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.233 -5.760 1.598 1.00 0.00 C ATOM 0 H ILE A 79 -3.129 -9.057 2.161 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.061 -7.683 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.198 -8.402 0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.242 -7.392 2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.161 -6.229 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.662 -6.312 -0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.474 -7.491 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.384 -6.110 -0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.250 -5.163 2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.084 -5.106 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.181 -6.288 1.492 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.493 -10.545 -0.677 1.00 0.00 N ATOM 1057 CA LYS A 80 -2.319 -11.597 -1.676 1.00 0.00 C ATOM 1058 C LYS A 80 -3.670 -12.098 -2.154 1.00 0.00 C ATOM 1059 O LYS A 80 -3.886 -12.300 -3.348 1.00 0.00 O ATOM 1060 CB LYS A 80 -1.531 -12.773 -1.104 1.00 0.00 C ATOM 1061 CG LYS A 80 -0.103 -12.443 -0.724 1.00 0.00 C ATOM 1062 CD LYS A 80 0.661 -13.706 -0.370 1.00 0.00 C ATOM 1063 CE LYS A 80 2.121 -13.424 -0.067 1.00 0.00 C ATOM 1064 NZ LYS A 80 2.850 -14.665 0.304 1.00 0.00 N ATOM 0 H LYS A 80 -2.097 -10.760 0.238 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.765 -11.170 -2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.051 -13.149 -0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.522 -13.580 -1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.391 -11.933 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.096 -11.757 0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.197 -14.180 0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.593 -14.414 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.593 -12.970 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.192 -12.702 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.845 -14.437 0.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.414 -15.084 1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.803 -15.344 -0.483 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.571 -12.282 -1.205 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.916 -12.761 -1.486 1.00 0.00 C ATOM 1080 C ARG A 81 -6.636 -11.803 -2.422 1.00 0.00 C ATOM 1081 O ARG A 81 -7.288 -12.211 -3.381 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.705 -12.871 -0.186 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.993 -13.651 -0.319 1.00 0.00 C ATOM 1084 CD ARG A 81 -7.713 -15.139 -0.476 1.00 0.00 C ATOM 1085 NE ARG A 81 -6.712 -15.610 0.486 1.00 0.00 N ATOM 1086 CZ ARG A 81 -6.067 -16.770 0.383 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -6.359 -17.615 -0.597 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -5.127 -17.086 1.264 1.00 0.00 N ATOM 0 H ARG A 81 -4.392 -12.104 -0.217 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.842 -13.740 -1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.079 -13.347 0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.934 -11.868 0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.616 -13.485 0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.554 -13.290 -1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.638 -15.699 -0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.365 -15.338 -1.490 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.496 -15.012 1.284 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.081 -17.377 -1.277 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.861 -18.502 -0.671 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.899 -16.440 2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.633 -17.975 1.186 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.513 -10.527 -2.122 1.00 0.00 N ATOM 1103 CA ILE A 82 -7.129 -9.486 -2.918 1.00 0.00 C ATOM 1104 C ILE A 82 -6.483 -9.402 -4.306 1.00 0.00 C ATOM 1105 O ILE A 82 -7.156 -9.134 -5.304 1.00 0.00 O ATOM 1106 CB ILE A 82 -7.022 -8.125 -2.200 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.847 -8.148 -0.912 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.483 -6.999 -3.108 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.540 -7.008 0.036 1.00 0.00 C ATOM 0 H ILE A 82 -5.984 -10.182 -1.321 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.182 -9.737 -3.044 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.977 -7.947 -1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.906 -8.117 -1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.672 -9.093 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.399 -6.049 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.860 -6.974 -4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.522 -7.164 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.165 -7.095 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.490 -7.049 0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.743 -6.058 -0.459 1.00 0.00 H new ATOM 1121 N LEU A 83 -5.181 -9.647 -4.366 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.454 -9.612 -5.629 1.00 0.00 C ATOM 1123 C LEU A 83 -4.608 -10.922 -6.396 1.00 0.00 C ATOM 1124 O LEU A 83 -4.055 -11.081 -7.482 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.972 -9.319 -5.390 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.666 -7.932 -4.828 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -1.171 -7.754 -4.621 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -3.212 -6.857 -5.754 1.00 0.00 C ATOM 0 H LEU A 83 -4.606 -9.872 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.882 -8.811 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.576 -10.067 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.438 -9.437 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.155 -7.835 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.975 -6.759 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.809 -8.506 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.655 -7.869 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.987 -5.873 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.749 -6.953 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.292 -6.973 -5.849 1.00 0.00 H new ATOM 1140 N SER A 84 -5.343 -11.859 -5.827 1.00 0.00 N ATOM 1141 CA SER A 84 -5.632 -13.109 -6.509 1.00 0.00 C ATOM 1142 C SER A 84 -6.729 -12.898 -7.551 1.00 0.00 C ATOM 1143 O SER A 84 -6.413 -12.899 -8.761 1.00 0.00 O ATOM 1144 CB SER A 84 -6.046 -14.182 -5.503 1.00 0.00 C ATOM 1145 OG SER A 84 -5.024 -14.398 -4.541 1.00 0.00 O ATOM 1146 OXT SER A 84 -7.898 -12.695 -7.158 1.00 0.00 O ATOM 0 H SER A 84 -5.751 -11.780 -4.895 1.00 0.00 H new ATOM 0 HA SER A 84 -4.729 -13.447 -7.018 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.965 -13.880 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.260 -15.114 -6.027 1.00 0.00 H new ATOM 0 HG SER A 84 -4.810 -13.552 -4.096 1.00 0.00 H new TER 1152 SER A 84