USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 888 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 33 ASN : amide:sc= -0.279 K(o=-0.96,f=-3.4!) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= -0.684 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0.927) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.09) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.12) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.12) USER MOD Single : A 26 GLN : amide:sc= 1.01 K(o=1,f=-0.86) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 2.43 (180deg=2.29) USER MOD Single : A 34 TYR OH : rot -76:sc= 0.45 USER MOD Single : A 37 ASN : amide:sc= 0.585 K(o=0.59,f=-0.046) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 146:sc= 1.18 (180deg=0.0617) USER MOD Single : A 41 THR OG1 : rot 36:sc= 0.0791 USER MOD Single : A 49 SER OG : rot 81:sc= 0.984 USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.15) USER MOD Single : A 55 LYS NZ :NH3+ 131:sc= 1.23 (180deg=0.356) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 1.31 (180deg=1.19) USER MOD Single : A 70 ASN : amide:sc= -0.022 K(o=-0.022,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0.855 K(o=0.85,f=-0.32) USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.09) USER MOD Single : A 83 SER OG : rot 64:sc= 0.00893 USER MOD Single : A 84 LYS NZ :NH3+ -147:sc= 1.23 (180deg=0.46) USER MOD Single : A 85 LYS NZ :NH3+ -159:sc= 1.26 (180deg=1.16) USER MOD Single : A 89 THR OG1 : rot 84:sc= 0.228 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 84:sc= 0.56 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.24) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -167:sc= 2.08 (180deg=1.62) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 5 14.029 15.490 16.526 1.00 0.00 N ATOM 56 CA PRO A 5 13.760 14.378 15.570 1.00 0.00 C ATOM 57 C PRO A 5 13.950 14.664 14.081 1.00 0.00 C ATOM 58 O PRO A 5 13.803 13.740 13.285 1.00 0.00 O ATOM 59 CB PRO A 5 12.279 14.001 15.763 1.00 0.00 C ATOM 60 CG PRO A 5 11.653 15.296 16.235 1.00 0.00 C ATOM 61 CD PRO A 5 12.771 15.795 17.129 1.00 0.00 C ATOM 0 HA PRO A 5 14.495 13.608 15.803 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.828 13.650 14.835 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.158 13.204 16.497 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.434 15.980 15.415 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.720 15.139 16.777 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.679 16.870 17.280 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.703 15.328 18.111 1.00 0.00 H new ATOM 69 N GLU A 6 14.280 15.895 13.686 1.00 0.00 N ATOM 70 CA GLU A 6 14.404 16.353 12.284 1.00 0.00 C ATOM 71 C GLU A 6 15.170 15.375 11.385 1.00 0.00 C ATOM 72 O GLU A 6 14.849 15.186 10.215 1.00 0.00 O ATOM 73 CB GLU A 6 15.084 17.720 12.270 1.00 0.00 C ATOM 74 CG GLU A 6 14.252 18.788 12.992 1.00 0.00 C ATOM 75 CD GLU A 6 13.084 19.378 12.175 1.00 0.00 C ATOM 76 OE1 GLU A 6 12.818 18.951 11.026 1.00 0.00 O ATOM 77 OE2 GLU A 6 12.415 20.294 12.711 1.00 0.00 O ATOM 0 H GLU A 6 14.478 16.638 14.356 1.00 0.00 H new ATOM 0 HA GLU A 6 13.397 16.414 11.872 1.00 0.00 H new ATOM 0 HB2 GLU A 6 16.062 17.642 12.744 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.253 18.029 11.239 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.850 18.354 13.908 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.914 19.602 13.288 1.00 0.00 H new ATOM 84 N LYS A 7 16.154 14.704 11.982 1.00 0.00 N ATOM 85 CA LYS A 7 17.048 13.709 11.368 1.00 0.00 C ATOM 86 C LYS A 7 16.291 12.466 10.925 1.00 0.00 C ATOM 87 O LYS A 7 16.427 12.010 9.791 1.00 0.00 O ATOM 88 CB LYS A 7 18.152 13.315 12.363 1.00 0.00 C ATOM 89 CG LYS A 7 18.618 14.450 13.283 1.00 0.00 C ATOM 90 CD LYS A 7 19.143 15.643 12.499 1.00 0.00 C ATOM 91 CE LYS A 7 20.502 15.233 11.949 1.00 0.00 C ATOM 92 NZ LYS A 7 21.370 16.400 11.641 1.00 0.00 N ATOM 0 H LYS A 7 16.366 14.846 12.970 1.00 0.00 H new ATOM 0 HA LYS A 7 17.491 14.164 10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 7 17.791 12.491 12.979 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.010 12.943 11.804 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.788 14.768 13.914 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.400 14.080 13.947 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.461 15.907 11.691 1.00 0.00 H new ATOM 0 HD3 LYS A 7 19.232 16.520 13.140 1.00 0.00 H new ATOM 0 HE2 LYS A 7 21.005 14.592 12.673 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.360 14.642 11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.282 16.066 11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 20.906 17.000 10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.530 16.952 12.508 1.00 0.00 H new ATOM 106 N LYS A 8 15.487 11.935 11.849 1.00 0.00 N ATOM 107 CA LYS A 8 14.701 10.714 11.683 1.00 0.00 C ATOM 108 C LYS A 8 13.567 10.960 10.702 1.00 0.00 C ATOM 109 O LYS A 8 13.346 10.129 9.824 1.00 0.00 O ATOM 110 CB LYS A 8 14.199 10.253 13.061 1.00 0.00 C ATOM 111 CG LYS A 8 13.494 8.887 13.101 1.00 0.00 C ATOM 112 CD LYS A 8 14.386 7.703 12.694 1.00 0.00 C ATOM 113 CE LYS A 8 14.235 7.362 11.208 1.00 0.00 C ATOM 114 NZ LYS A 8 15.185 6.297 10.802 1.00 0.00 N ATOM 0 H LYS A 8 15.362 12.361 12.767 1.00 0.00 H new ATOM 0 HA LYS A 8 15.314 9.915 11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.049 10.221 13.743 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.511 11.006 13.445 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.119 8.714 14.110 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.628 8.919 12.440 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.428 7.942 12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.129 6.831 13.295 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.214 7.037 11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.408 8.255 10.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.835 5.829 9.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.117 6.717 10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.270 5.597 11.567 1.00 0.00 H new ATOM 128 N VAL A 9 12.884 12.105 10.803 1.00 0.00 N ATOM 129 CA VAL A 9 11.796 12.421 9.873 1.00 0.00 C ATOM 130 C VAL A 9 12.297 12.715 8.460 1.00 0.00 C ATOM 131 O VAL A 9 11.708 12.223 7.504 1.00 0.00 O ATOM 132 CB VAL A 9 10.900 13.539 10.398 1.00 0.00 C ATOM 133 CG1 VAL A 9 10.222 13.025 11.668 1.00 0.00 C ATOM 134 CG2 VAL A 9 11.577 14.868 10.714 1.00 0.00 C ATOM 0 H VAL A 9 13.062 12.819 11.509 1.00 0.00 H new ATOM 0 HA VAL A 9 11.184 11.522 9.805 1.00 0.00 H new ATOM 0 HB VAL A 9 10.212 13.770 9.585 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.571 13.800 12.072 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.630 12.141 11.432 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.981 12.766 12.406 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.834 15.577 11.078 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.338 14.716 11.479 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.043 15.262 9.811 1.00 0.00 H new ATOM 144 N ALA A 10 13.399 13.458 8.314 1.00 0.00 N ATOM 145 CA ALA A 10 14.039 13.710 7.020 1.00 0.00 C ATOM 146 C ALA A 10 14.553 12.420 6.355 1.00 0.00 C ATOM 147 O ALA A 10 14.200 12.136 5.209 1.00 0.00 O ATOM 148 CB ALA A 10 15.169 14.734 7.186 1.00 0.00 C ATOM 0 H ALA A 10 13.875 13.905 9.098 1.00 0.00 H new ATOM 0 HA ALA A 10 13.281 14.119 6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.640 14.916 6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.760 15.668 7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 10 15.911 14.347 7.884 1.00 0.00 H new ATOM 154 N GLU A 11 15.364 11.606 7.043 1.00 0.00 N ATOM 155 CA GLU A 11 15.879 10.370 6.440 1.00 0.00 C ATOM 156 C GLU A 11 14.766 9.361 6.104 1.00 0.00 C ATOM 157 O GLU A 11 14.768 8.768 5.025 1.00 0.00 O ATOM 158 CB GLU A 11 17.020 9.781 7.286 1.00 0.00 C ATOM 159 CG GLU A 11 16.563 8.949 8.492 1.00 0.00 C ATOM 160 CD GLU A 11 17.703 8.553 9.456 1.00 0.00 C ATOM 161 OE1 GLU A 11 18.902 8.788 9.169 1.00 0.00 O ATOM 162 OE2 GLU A 11 17.387 7.945 10.508 1.00 0.00 O ATOM 0 H GLU A 11 15.673 11.776 8.000 1.00 0.00 H new ATOM 0 HA GLU A 11 16.311 10.626 5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.643 9.156 6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.648 10.597 7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.814 9.514 9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.076 8.043 8.131 1.00 0.00 H new ATOM 169 N ALA A 12 13.755 9.214 6.964 1.00 0.00 N ATOM 170 CA ALA A 12 12.600 8.376 6.657 1.00 0.00 C ATOM 171 C ALA A 12 11.672 8.953 5.572 1.00 0.00 C ATOM 172 O ALA A 12 10.899 8.214 4.965 1.00 0.00 O ATOM 173 CB ALA A 12 11.863 8.060 7.955 1.00 0.00 C ATOM 0 H ALA A 12 13.716 9.666 7.878 1.00 0.00 H new ATOM 0 HA ALA A 12 12.967 7.451 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.997 7.434 7.739 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.532 7.532 8.634 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.532 8.988 8.421 1.00 0.00 H new ATOM 179 N GLU A 13 11.766 10.246 5.262 1.00 0.00 N ATOM 180 CA GLU A 13 10.907 10.884 4.248 1.00 0.00 C ATOM 181 C GLU A 13 11.407 10.493 2.858 1.00 0.00 C ATOM 182 O GLU A 13 10.631 10.249 1.939 1.00 0.00 O ATOM 183 CB GLU A 13 10.868 12.411 4.449 1.00 0.00 C ATOM 184 CG GLU A 13 10.324 13.171 3.237 1.00 0.00 C ATOM 185 CD GLU A 13 10.190 14.676 3.540 1.00 0.00 C ATOM 186 OE1 GLU A 13 11.162 15.436 3.312 1.00 0.00 O ATOM 187 OE2 GLU A 13 9.105 15.114 3.996 1.00 0.00 O ATOM 0 H GLU A 13 12.433 10.882 5.700 1.00 0.00 H new ATOM 0 HA GLU A 13 9.881 10.533 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.252 12.640 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.874 12.767 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.988 13.026 2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.352 12.766 2.956 1.00 0.00 H new ATOM 194 N LYS A 14 12.726 10.359 2.746 1.00 0.00 N ATOM 195 CA LYS A 14 13.465 9.929 1.560 1.00 0.00 C ATOM 196 C LYS A 14 13.046 8.520 1.144 1.00 0.00 C ATOM 197 O LYS A 14 12.816 8.232 -0.030 1.00 0.00 O ATOM 198 CB LYS A 14 14.958 10.094 1.897 1.00 0.00 C ATOM 199 CG LYS A 14 15.801 8.824 2.074 1.00 0.00 C ATOM 200 CD LYS A 14 17.129 9.181 2.744 1.00 0.00 C ATOM 201 CE LYS A 14 17.914 7.901 3.032 1.00 0.00 C ATOM 202 NZ LYS A 14 19.276 8.189 3.554 1.00 0.00 N ATOM 0 H LYS A 14 13.347 10.560 3.530 1.00 0.00 H new ATOM 0 HA LYS A 14 13.244 10.534 0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 14 15.415 10.691 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.031 10.674 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.260 8.097 2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.984 8.358 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.710 9.839 2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.947 9.725 3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.368 7.296 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.993 7.311 2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 19.774 7.295 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 19.806 8.744 2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.201 8.730 4.439 1.00 0.00 H new ATOM 216 N LYS A 15 12.860 7.665 2.151 1.00 0.00 N ATOM 217 CA LYS A 15 12.233 6.352 2.028 1.00 0.00 C ATOM 218 C LYS A 15 10.752 6.439 1.641 1.00 0.00 C ATOM 219 O LYS A 15 10.339 5.814 0.668 1.00 0.00 O ATOM 220 CB LYS A 15 12.457 5.617 3.352 1.00 0.00 C ATOM 221 CG LYS A 15 11.599 4.364 3.502 1.00 0.00 C ATOM 222 CD LYS A 15 11.732 3.360 2.344 1.00 0.00 C ATOM 223 CE LYS A 15 13.167 2.846 2.218 1.00 0.00 C ATOM 224 NZ LYS A 15 13.287 1.751 1.222 1.00 0.00 N ATOM 0 H LYS A 15 13.152 7.876 3.105 1.00 0.00 H new ATOM 0 HA LYS A 15 12.691 5.794 1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.508 5.340 3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.242 6.296 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.867 3.864 4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.554 4.662 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.056 2.521 2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.430 3.836 1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.822 3.669 1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.510 2.490 3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.232 1.321 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.563 1.029 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.150 2.135 0.265 1.00 0.00 H new ATOM 238 N VAL A 16 9.948 7.223 2.357 1.00 0.00 N ATOM 239 CA VAL A 16 8.501 7.378 2.063 1.00 0.00 C ATOM 240 C VAL A 16 8.246 7.937 0.649 1.00 0.00 C ATOM 241 O VAL A 16 7.167 7.767 0.087 1.00 0.00 O ATOM 242 CB VAL A 16 7.792 8.168 3.185 1.00 0.00 C ATOM 243 CG1 VAL A 16 6.441 8.795 2.820 1.00 0.00 C ATOM 244 CG2 VAL A 16 7.520 7.200 4.347 1.00 0.00 C ATOM 0 H VAL A 16 10.267 7.771 3.156 1.00 0.00 H new ATOM 0 HA VAL A 16 8.050 6.386 2.054 1.00 0.00 H new ATOM 0 HB VAL A 16 8.466 8.992 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.039 9.323 3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.576 9.497 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.746 8.011 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.019 7.733 5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.884 6.385 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.464 6.794 4.711 1.00 0.00 H new ATOM 254 N GLU A 17 9.266 8.516 0.019 1.00 0.00 N ATOM 255 CA GLU A 17 9.208 9.025 -1.357 1.00 0.00 C ATOM 256 C GLU A 17 9.394 7.895 -2.381 1.00 0.00 C ATOM 257 O GLU A 17 8.668 7.841 -3.370 1.00 0.00 O ATOM 258 CB GLU A 17 10.252 10.135 -1.562 1.00 0.00 C ATOM 259 CG GLU A 17 9.790 11.514 -1.065 1.00 0.00 C ATOM 260 CD GLU A 17 8.654 12.094 -1.924 1.00 0.00 C ATOM 261 OE1 GLU A 17 8.900 12.510 -3.081 1.00 0.00 O ATOM 262 OE2 GLU A 17 7.490 12.140 -1.459 1.00 0.00 O ATOM 0 H GLU A 17 10.177 8.649 0.457 1.00 0.00 H new ATOM 0 HA GLU A 17 8.217 9.450 -1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.170 9.860 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.494 10.203 -2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.455 11.431 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.635 12.202 -1.072 1.00 0.00 H new ATOM 269 N GLU A 18 10.303 6.950 -2.128 1.00 0.00 N ATOM 270 CA GLU A 18 10.396 5.681 -2.869 1.00 0.00 C ATOM 271 C GLU A 18 9.110 4.845 -2.717 1.00 0.00 C ATOM 272 O GLU A 18 8.579 4.325 -3.701 1.00 0.00 O ATOM 273 CB GLU A 18 11.629 4.910 -2.371 1.00 0.00 C ATOM 274 CG GLU A 18 11.901 3.624 -3.159 1.00 0.00 C ATOM 275 CD GLU A 18 13.139 2.899 -2.602 1.00 0.00 C ATOM 276 OE1 GLU A 18 13.067 2.371 -1.465 1.00 0.00 O ATOM 277 OE2 GLU A 18 14.187 2.851 -3.291 1.00 0.00 O ATOM 0 H GLU A 18 11.006 7.042 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 18 10.506 5.890 -3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.503 5.558 -2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.492 4.661 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.033 2.967 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.055 3.862 -4.212 1.00 0.00 H new ATOM 284 N ALA A 19 8.573 4.764 -1.494 1.00 0.00 N ATOM 285 CA ALA A 19 7.284 4.139 -1.190 1.00 0.00 C ATOM 286 C ALA A 19 6.131 4.751 -2.019 1.00 0.00 C ATOM 287 O ALA A 19 5.379 4.026 -2.678 1.00 0.00 O ATOM 288 CB ALA A 19 7.059 4.247 0.320 1.00 0.00 C ATOM 0 H ALA A 19 9.037 5.142 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 19 7.299 3.087 -1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.104 3.789 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.863 3.732 0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.049 5.297 0.612 1.00 0.00 H new ATOM 294 N LYS A 20 6.028 6.089 -2.046 1.00 0.00 N ATOM 295 CA LYS A 20 5.079 6.844 -2.887 1.00 0.00 C ATOM 296 C LYS A 20 5.297 6.583 -4.383 1.00 0.00 C ATOM 297 O LYS A 20 4.336 6.307 -5.099 1.00 0.00 O ATOM 298 CB LYS A 20 5.190 8.343 -2.558 1.00 0.00 C ATOM 299 CG LYS A 20 4.073 9.180 -3.206 1.00 0.00 C ATOM 300 CD LYS A 20 4.313 10.685 -3.020 1.00 0.00 C ATOM 301 CE LYS A 20 5.388 11.197 -3.991 1.00 0.00 C ATOM 302 NZ LYS A 20 5.826 12.569 -3.641 1.00 0.00 N ATOM 0 H LYS A 20 6.615 6.693 -1.471 1.00 0.00 H new ATOM 0 HA LYS A 20 4.070 6.500 -2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.157 8.476 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.158 8.714 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.015 8.949 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.113 8.907 -2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.382 11.228 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.621 10.883 -1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.246 10.524 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.996 11.187 -5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.527 12.897 -4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.005 13.208 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.254 12.566 -2.693 1.00 0.00 H new ATOM 316 N LYS A 21 6.548 6.631 -4.857 1.00 0.00 N ATOM 317 CA LYS A 21 6.930 6.360 -6.255 1.00 0.00 C ATOM 318 C LYS A 21 6.451 4.981 -6.721 1.00 0.00 C ATOM 319 O LYS A 21 5.859 4.879 -7.794 1.00 0.00 O ATOM 320 CB LYS A 21 8.448 6.552 -6.427 1.00 0.00 C ATOM 321 CG LYS A 21 8.889 6.461 -7.898 1.00 0.00 C ATOM 322 CD LYS A 21 10.400 6.669 -8.086 1.00 0.00 C ATOM 323 CE LYS A 21 10.847 8.093 -7.721 1.00 0.00 C ATOM 324 NZ LYS A 21 12.293 8.299 -7.996 1.00 0.00 N ATOM 0 H LYS A 21 7.346 6.865 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 21 6.427 7.079 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.736 7.523 -6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.975 5.796 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.610 5.485 -8.295 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.350 7.208 -8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.942 5.952 -7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.666 6.463 -9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.261 8.816 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.646 8.279 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.560 9.270 -7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.852 7.625 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.479 8.146 -9.008 1.00 0.00 H new ATOM 338 N LYS A 22 6.635 3.924 -5.919 1.00 0.00 N ATOM 339 CA LYS A 22 6.095 2.599 -6.223 1.00 0.00 C ATOM 340 C LYS A 22 4.567 2.519 -6.203 1.00 0.00 C ATOM 341 O LYS A 22 3.989 1.862 -7.067 1.00 0.00 O ATOM 342 CB LYS A 22 6.739 1.562 -5.295 1.00 0.00 C ATOM 343 CG LYS A 22 6.548 0.132 -5.814 1.00 0.00 C ATOM 344 CD LYS A 22 7.076 -0.037 -7.248 1.00 0.00 C ATOM 345 CE LYS A 22 7.225 -1.512 -7.571 1.00 0.00 C ATOM 346 NZ LYS A 22 7.689 -1.715 -8.969 1.00 0.00 N ATOM 0 H LYS A 22 7.160 3.966 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 22 6.357 2.377 -7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.804 1.774 -5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.305 1.647 -4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.064 -0.565 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.489 -0.126 -5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.392 0.432 -7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.037 0.466 -7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.934 -1.968 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.270 -2.017 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.588 -2.718 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.116 -1.133 -9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.688 -1.437 -9.047 1.00 0.00 H new ATOM 360 N ALA A 23 3.886 3.219 -5.298 1.00 0.00 N ATOM 361 CA ALA A 23 2.429 3.326 -5.386 1.00 0.00 C ATOM 362 C ALA A 23 1.972 4.049 -6.670 1.00 0.00 C ATOM 363 O ALA A 23 0.992 3.641 -7.294 1.00 0.00 O ATOM 364 CB ALA A 23 1.873 3.967 -4.109 1.00 0.00 C ATOM 0 H ALA A 23 4.307 3.712 -4.510 1.00 0.00 H new ATOM 0 HA ALA A 23 2.013 2.321 -5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.788 4.043 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.136 3.352 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.299 4.963 -3.987 1.00 0.00 H new ATOM 370 N GLU A 24 2.715 5.053 -7.144 1.00 0.00 N ATOM 371 CA GLU A 24 2.517 5.637 -8.475 1.00 0.00 C ATOM 372 C GLU A 24 2.789 4.671 -9.643 1.00 0.00 C ATOM 373 O GLU A 24 2.202 4.830 -10.712 1.00 0.00 O ATOM 374 CB GLU A 24 3.298 6.952 -8.627 1.00 0.00 C ATOM 375 CG GLU A 24 2.542 8.151 -8.037 1.00 0.00 C ATOM 376 CD GLU A 24 1.183 8.382 -8.728 1.00 0.00 C ATOM 377 OE1 GLU A 24 1.146 8.555 -9.972 1.00 0.00 O ATOM 378 OE2 GLU A 24 0.143 8.347 -8.028 1.00 0.00 O ATOM 0 H GLU A 24 3.473 5.485 -6.615 1.00 0.00 H new ATOM 0 HA GLU A 24 1.452 5.858 -8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.265 6.857 -8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.496 7.134 -9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.382 7.989 -6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.154 9.048 -8.135 1.00 0.00 H new ATOM 385 N ASP A 25 3.583 3.615 -9.452 1.00 0.00 N ATOM 386 CA ASP A 25 3.710 2.517 -10.421 1.00 0.00 C ATOM 387 C ASP A 25 2.420 1.691 -10.535 1.00 0.00 C ATOM 388 O ASP A 25 2.109 1.124 -11.583 1.00 0.00 O ATOM 389 CB ASP A 25 4.853 1.596 -9.959 1.00 0.00 C ATOM 390 CG ASP A 25 5.641 0.900 -11.080 1.00 0.00 C ATOM 391 OD1 ASP A 25 5.777 1.456 -12.196 1.00 0.00 O ATOM 392 OD2 ASP A 25 6.178 -0.205 -10.813 1.00 0.00 O ATOM 0 H ASP A 25 4.159 3.494 -8.619 1.00 0.00 H new ATOM 0 HA ASP A 25 3.913 2.948 -11.401 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.550 2.184 -9.361 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.437 0.831 -9.304 1.00 0.00 H new ATOM 397 N GLN A 26 1.644 1.629 -9.450 1.00 0.00 N ATOM 398 CA GLN A 26 0.378 0.904 -9.413 1.00 0.00 C ATOM 399 C GLN A 26 -0.771 1.843 -9.816 1.00 0.00 C ATOM 400 O GLN A 26 -1.808 1.403 -10.306 1.00 0.00 O ATOM 401 CB GLN A 26 0.229 0.283 -8.023 1.00 0.00 C ATOM 402 CG GLN A 26 1.292 -0.798 -7.766 1.00 0.00 C ATOM 403 CD GLN A 26 1.177 -1.359 -6.355 1.00 0.00 C ATOM 404 OE1 GLN A 26 1.438 -0.680 -5.372 1.00 0.00 O ATOM 405 NE2 GLN A 26 0.779 -2.601 -6.192 1.00 0.00 N ATOM 0 H GLN A 26 1.881 2.084 -8.569 1.00 0.00 H new ATOM 0 HA GLN A 26 0.351 0.088 -10.135 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.312 1.062 -7.265 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.765 -0.153 -7.924 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.178 -1.604 -8.491 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.286 -0.376 -7.913 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.559 -3.177 -7.005 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.691 -2.989 -5.253 1.00 0.00 H new ATOM 414 N LYS A 27 -0.551 3.159 -9.712 1.00 0.00 N ATOM 415 CA LYS A 27 -1.333 4.182 -10.405 1.00 0.00 C ATOM 416 C LYS A 27 -1.201 4.121 -11.918 1.00 0.00 C ATOM 417 O LYS A 27 -2.189 4.308 -12.621 1.00 0.00 O ATOM 418 CB LYS A 27 -0.906 5.569 -9.943 1.00 0.00 C ATOM 419 CG LYS A 27 -2.110 6.514 -9.937 1.00 0.00 C ATOM 420 CD LYS A 27 -3.121 6.241 -8.813 1.00 0.00 C ATOM 421 CE LYS A 27 -2.485 5.972 -7.434 1.00 0.00 C ATOM 422 NZ LYS A 27 -2.046 7.203 -6.734 1.00 0.00 N ATOM 0 H LYS A 27 0.192 3.547 -9.131 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.375 3.984 -10.153 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.474 5.511 -8.944 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.131 5.958 -10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.752 7.540 -9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.622 6.438 -10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.792 7.096 -8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.732 5.382 -9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.205 5.445 -6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.628 5.311 -7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.771 6.968 -5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.233 7.615 -7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.827 7.890 -6.717 1.00 0.00 H new ATOM 436 N GLU A 28 0.006 3.848 -12.416 1.00 0.00 N ATOM 437 CA GLU A 28 0.211 3.553 -13.834 1.00 0.00 C ATOM 438 C GLU A 28 -0.740 2.441 -14.285 1.00 0.00 C ATOM 439 O GLU A 28 -1.380 2.580 -15.322 1.00 0.00 O ATOM 440 CB GLU A 28 1.685 3.238 -14.141 1.00 0.00 C ATOM 441 CG GLU A 28 2.027 3.317 -15.638 1.00 0.00 C ATOM 442 CD GLU A 28 1.865 4.726 -16.247 1.00 0.00 C ATOM 443 OE1 GLU A 28 1.874 5.732 -15.496 1.00 0.00 O ATOM 444 OE2 GLU A 28 1.727 4.836 -17.489 1.00 0.00 O ATOM 0 H GLU A 28 0.858 3.825 -11.856 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.030 4.444 -14.414 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.319 3.935 -13.594 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.919 2.239 -13.775 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.055 2.986 -15.783 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.389 2.622 -16.183 1.00 0.00 H new ATOM 451 N GLU A 29 -0.953 1.413 -13.455 1.00 0.00 N ATOM 452 CA GLU A 29 -2.068 0.479 -13.652 1.00 0.00 C ATOM 453 C GLU A 29 -3.441 1.191 -13.741 1.00 0.00 C ATOM 454 O GLU A 29 -4.033 1.197 -14.810 1.00 0.00 O ATOM 455 CB GLU A 29 -2.060 -0.638 -12.597 1.00 0.00 C ATOM 456 CG GLU A 29 -2.547 -1.967 -13.180 1.00 0.00 C ATOM 457 CD GLU A 29 -1.387 -2.881 -13.623 1.00 0.00 C ATOM 458 OE1 GLU A 29 -0.522 -2.430 -14.411 1.00 0.00 O ATOM 459 OE2 GLU A 29 -1.358 -4.071 -13.232 1.00 0.00 O ATOM 0 H GLU A 29 -0.370 1.207 -12.643 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.913 0.009 -14.623 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.051 -0.761 -12.204 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.696 -0.353 -11.759 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.150 -2.487 -12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.195 -1.769 -14.034 1.00 0.00 H new ATOM 466 N ASP A 30 -3.936 1.875 -12.705 1.00 0.00 N ATOM 467 CA ASP A 30 -5.128 2.727 -12.613 1.00 0.00 C ATOM 468 C ASP A 30 -5.143 3.965 -13.552 1.00 0.00 C ATOM 469 O ASP A 30 -5.895 4.914 -13.332 1.00 0.00 O ATOM 470 CB ASP A 30 -5.175 3.110 -11.123 1.00 0.00 C ATOM 471 CG ASP A 30 -6.411 3.893 -10.645 1.00 0.00 C ATOM 472 OD1 ASP A 30 -7.528 3.330 -10.649 1.00 0.00 O ATOM 473 OD2 ASP A 30 -6.257 5.050 -10.183 1.00 0.00 O ATOM 0 H ASP A 30 -3.455 1.841 -11.806 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.013 2.193 -12.958 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.105 2.195 -10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.289 3.703 -10.897 1.00 0.00 H new ATOM 478 N ARG A 31 -4.358 3.956 -14.638 1.00 0.00 N ATOM 479 CA ARG A 31 -4.551 4.802 -15.839 1.00 0.00 C ATOM 480 C ARG A 31 -4.262 4.097 -17.173 1.00 0.00 C ATOM 481 O ARG A 31 -4.701 4.589 -18.213 1.00 0.00 O ATOM 482 CB ARG A 31 -3.830 6.155 -15.682 1.00 0.00 C ATOM 483 CG ARG A 31 -2.305 6.057 -15.534 1.00 0.00 C ATOM 484 CD ARG A 31 -1.766 7.256 -14.733 1.00 0.00 C ATOM 485 NE ARG A 31 -0.339 7.101 -14.392 1.00 0.00 N ATOM 486 CZ ARG A 31 0.268 7.448 -13.272 1.00 0.00 C ATOM 487 NH1 ARG A 31 -0.302 8.131 -12.322 1.00 0.00 N ATOM 488 NH2 ARG A 31 1.499 7.087 -13.094 1.00 0.00 N ATOM 0 H ARG A 31 -3.545 3.344 -14.714 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.620 5.009 -15.899 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.058 6.775 -16.549 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.234 6.667 -14.809 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.041 5.127 -15.031 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.839 6.030 -16.519 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.902 8.169 -15.313 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.346 7.370 -13.817 1.00 0.00 H new ATOM 0 HE ARG A 31 0.249 6.674 -15.108 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.272 8.429 -12.420 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.222 8.368 -11.479 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.981 6.545 -13.812 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.987 7.344 -12.236 1.00 0.00 H new ATOM 502 N ARG A 32 -3.629 2.913 -17.162 1.00 0.00 N ATOM 503 CA ARG A 32 -3.489 2.007 -18.323 1.00 0.00 C ATOM 504 C ARG A 32 -4.546 0.925 -18.401 1.00 0.00 C ATOM 505 O ARG A 32 -4.802 0.354 -19.453 1.00 0.00 O ATOM 506 CB ARG A 32 -2.048 1.499 -18.431 1.00 0.00 C ATOM 507 CG ARG A 32 -1.827 -0.001 -18.631 1.00 0.00 C ATOM 508 CD ARG A 32 -2.310 -0.795 -17.411 1.00 0.00 C ATOM 509 NE ARG A 32 -1.373 -1.836 -16.966 1.00 0.00 N ATOM 510 CZ ARG A 32 -1.067 -2.982 -17.539 1.00 0.00 C ATOM 511 NH1 ARG A 32 -1.483 -3.322 -18.727 1.00 0.00 N ATOM 512 NH2 ARG A 32 -0.324 -3.813 -16.874 1.00 0.00 N ATOM 0 H ARG A 32 -3.185 2.545 -16.321 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.690 2.594 -19.220 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.572 2.020 -19.262 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.521 1.796 -17.524 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.360 -0.335 -19.521 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.768 -0.197 -18.801 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.487 -0.104 -16.587 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.267 -1.259 -17.648 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.891 -1.644 -16.088 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.076 -2.687 -19.261 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.215 -4.223 -19.123 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.003 -3.569 -15.939 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.067 -4.710 -17.286 1.00 0.00 H new ATOM 526 N ASN A 33 -5.131 0.643 -17.255 1.00 0.00 N ATOM 527 CA ASN A 33 -6.087 -0.434 -17.033 1.00 0.00 C ATOM 528 C ASN A 33 -7.540 0.083 -16.926 1.00 0.00 C ATOM 529 O ASN A 33 -8.465 -0.678 -16.702 1.00 0.00 O ATOM 530 CB ASN A 33 -5.567 -1.201 -15.820 1.00 0.00 C ATOM 531 CG ASN A 33 -6.236 -2.520 -15.576 1.00 0.00 C ATOM 532 OD1 ASN A 33 -6.862 -3.146 -16.411 1.00 0.00 O ATOM 533 ND2 ASN A 33 -6.139 -2.957 -14.356 1.00 0.00 N ATOM 0 H ASN A 33 -4.947 1.182 -16.409 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.155 -1.115 -17.881 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.497 -1.370 -15.946 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.689 -0.578 -14.934 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.590 -3.833 -14.091 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.612 -2.424 -13.664 1.00 0.00 H new ATOM 540 N TYR A 34 -7.717 1.395 -17.065 1.00 0.00 N ATOM 541 CA TYR A 34 -8.891 2.208 -17.495 1.00 0.00 C ATOM 542 C TYR A 34 -9.399 1.989 -18.926 1.00 0.00 C ATOM 543 O TYR A 34 -10.589 1.736 -19.114 1.00 0.00 O ATOM 544 CB TYR A 34 -8.597 3.703 -17.328 1.00 0.00 C ATOM 545 CG TYR A 34 -9.193 4.211 -16.089 1.00 0.00 C ATOM 546 CD1 TYR A 34 -8.435 4.037 -14.944 1.00 0.00 C ATOM 547 CD2 TYR A 34 -10.485 4.744 -16.054 1.00 0.00 C ATOM 548 CE1 TYR A 34 -8.943 4.452 -13.731 1.00 0.00 C ATOM 549 CE2 TYR A 34 -11.005 5.147 -14.818 1.00 0.00 C ATOM 550 CZ TYR A 34 -10.226 5.041 -13.641 1.00 0.00 C ATOM 551 OH TYR A 34 -10.720 5.477 -12.450 1.00 0.00 O ATOM 0 H TYR A 34 -6.936 2.016 -16.852 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.686 1.855 -16.838 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.520 3.868 -17.314 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.993 4.254 -18.181 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.457 3.582 -15.000 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.068 4.842 -16.958 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.352 4.325 -12.836 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.009 5.542 -14.762 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.019 4.709 -11.919 1.00 0.00 H new ATOM 561 N PRO A 35 -8.507 2.040 -19.924 1.00 0.00 N ATOM 562 CA PRO A 35 -8.615 1.387 -21.228 1.00 0.00 C ATOM 563 C PRO A 35 -9.445 0.106 -21.232 1.00 0.00 C ATOM 564 O PRO A 35 -10.290 -0.133 -22.096 1.00 0.00 O ATOM 565 CB PRO A 35 -7.147 1.101 -21.517 1.00 0.00 C ATOM 566 CG PRO A 35 -6.520 2.448 -21.148 1.00 0.00 C ATOM 567 CD PRO A 35 -7.236 2.730 -19.827 1.00 0.00 C ATOM 0 HA PRO A 35 -9.135 1.999 -21.965 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.757 0.283 -20.911 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.974 0.836 -22.560 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.438 2.384 -21.029 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.713 3.215 -21.897 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.655 2.366 -18.980 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.380 3.800 -19.679 1.00 0.00 H new ATOM 575 N THR A 36 -9.176 -0.698 -20.213 1.00 0.00 N ATOM 576 CA THR A 36 -9.757 -2.015 -19.939 1.00 0.00 C ATOM 577 C THR A 36 -10.824 -1.987 -18.832 1.00 0.00 C ATOM 578 O THR A 36 -11.691 -2.858 -18.781 1.00 0.00 O ATOM 579 CB THR A 36 -8.607 -2.986 -19.599 1.00 0.00 C ATOM 580 OG1 THR A 36 -7.382 -2.309 -19.389 1.00 0.00 O ATOM 581 CG2 THR A 36 -8.295 -3.873 -20.792 1.00 0.00 C ATOM 0 H THR A 36 -8.496 -0.432 -19.501 1.00 0.00 H new ATOM 0 HA THR A 36 -10.286 -2.355 -20.829 1.00 0.00 H new ATOM 0 HB THR A 36 -8.943 -3.526 -18.714 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.681 -2.960 -19.175 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.482 -4.553 -20.537 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.181 -4.450 -21.058 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.998 -3.253 -21.638 1.00 0.00 H new ATOM 589 N ASN A 37 -10.790 -0.981 -17.952 1.00 0.00 N ATOM 590 CA ASN A 37 -11.529 -0.815 -16.707 1.00 0.00 C ATOM 591 C ASN A 37 -11.612 -2.055 -15.825 1.00 0.00 C ATOM 592 O ASN A 37 -12.646 -2.420 -15.265 1.00 0.00 O ATOM 593 CB ASN A 37 -12.734 0.109 -16.858 1.00 0.00 C ATOM 594 CG ASN A 37 -14.073 -0.539 -17.143 1.00 0.00 C ATOM 595 OD1 ASN A 37 -15.099 -0.158 -16.595 1.00 0.00 O ATOM 596 ND2 ASN A 37 -14.139 -1.521 -18.003 1.00 0.00 N ATOM 0 H ASN A 37 -10.178 -0.182 -18.117 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.915 -0.228 -16.024 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -12.829 0.692 -15.942 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.521 0.813 -17.663 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.037 -1.959 -18.209 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -13.293 -1.850 -18.468 1.00 0.00 H new ATOM 603 N THR A 38 -10.409 -2.580 -15.594 1.00 0.00 N ATOM 604 CA THR A 38 -10.049 -3.314 -14.381 1.00 0.00 C ATOM 605 C THR A 38 -9.175 -2.473 -13.433 1.00 0.00 C ATOM 606 O THR A 38 -9.006 -2.854 -12.279 1.00 0.00 O ATOM 607 CB THR A 38 -9.427 -4.660 -14.760 1.00 0.00 C ATOM 608 OG1 THR A 38 -10.201 -5.229 -15.788 1.00 0.00 O ATOM 609 CG2 THR A 38 -9.374 -5.661 -13.621 1.00 0.00 C ATOM 0 H THR A 38 -9.640 -2.505 -16.260 1.00 0.00 H new ATOM 0 HA THR A 38 -10.953 -3.523 -13.809 1.00 0.00 H new ATOM 0 HB THR A 38 -8.399 -4.454 -15.059 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.817 -6.093 -16.047 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.920 -6.588 -13.972 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.779 -5.252 -12.804 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.385 -5.864 -13.267 1.00 0.00 H new ATOM 617 N TYR A 39 -8.679 -1.309 -13.896 1.00 0.00 N ATOM 618 CA TYR A 39 -8.116 -0.155 -13.169 1.00 0.00 C ATOM 619 C TYR A 39 -8.010 -0.123 -11.628 1.00 0.00 C ATOM 620 O TYR A 39 -6.961 0.282 -11.125 1.00 0.00 O ATOM 621 CB TYR A 39 -8.928 1.075 -13.573 1.00 0.00 C ATOM 622 CG TYR A 39 -10.299 1.235 -12.933 1.00 0.00 C ATOM 623 CD1 TYR A 39 -11.340 0.347 -13.246 1.00 0.00 C ATOM 624 CD2 TYR A 39 -10.524 2.245 -11.984 1.00 0.00 C ATOM 625 CE1 TYR A 39 -12.611 0.487 -12.670 1.00 0.00 C ATOM 626 CE2 TYR A 39 -11.807 2.428 -11.431 1.00 0.00 C ATOM 627 CZ TYR A 39 -12.861 1.553 -11.777 1.00 0.00 C ATOM 628 OH TYR A 39 -14.089 1.710 -11.210 1.00 0.00 O ATOM 0 H TYR A 39 -8.661 -1.136 -14.901 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.069 -0.209 -13.467 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.339 1.962 -13.340 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -9.059 1.055 -14.655 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -11.159 -0.458 -13.943 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -9.710 2.885 -11.676 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -13.395 -0.217 -12.908 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -11.985 3.239 -10.741 1.00 0.00 H new ATOM 0 HH TYR A 39 -14.080 2.494 -10.622 1.00 0.00 H new ATOM 638 N LYS A 40 -9.067 -0.464 -10.871 1.00 0.00 N ATOM 639 CA LYS A 40 -9.266 -0.260 -9.449 1.00 0.00 C ATOM 640 C LYS A 40 -8.550 -1.360 -8.682 1.00 0.00 C ATOM 641 O LYS A 40 -9.138 -2.187 -7.985 1.00 0.00 O ATOM 642 CB LYS A 40 -10.791 -0.284 -9.255 1.00 0.00 C ATOM 643 CG LYS A 40 -11.238 0.193 -7.886 1.00 0.00 C ATOM 644 CD LYS A 40 -10.836 1.643 -7.611 1.00 0.00 C ATOM 645 CE LYS A 40 -11.651 2.212 -6.454 1.00 0.00 C ATOM 646 NZ LYS A 40 -11.341 1.539 -5.167 1.00 0.00 N ATOM 0 H LYS A 40 -9.871 -0.932 -11.290 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.857 0.679 -9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.255 0.341 -10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.153 -1.300 -9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.321 0.099 -7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.806 -0.452 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.773 1.694 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.993 2.246 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.451 3.280 -6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.713 2.104 -6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.412 2.227 -4.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.018 0.766 -5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.376 1.153 -5.201 1.00 0.00 H new ATOM 660 N THR A 41 -7.266 -1.457 -8.965 1.00 0.00 N ATOM 661 CA THR A 41 -6.452 -2.610 -8.643 1.00 0.00 C ATOM 662 C THR A 41 -6.077 -2.523 -7.172 1.00 0.00 C ATOM 663 O THR A 41 -5.225 -1.737 -6.761 1.00 0.00 O ATOM 664 CB THR A 41 -5.280 -2.748 -9.626 1.00 0.00 C ATOM 665 OG1 THR A 41 -4.441 -1.614 -9.669 1.00 0.00 O ATOM 666 CG2 THR A 41 -5.815 -2.931 -11.055 1.00 0.00 C ATOM 0 H THR A 41 -6.748 -0.716 -9.437 1.00 0.00 H new ATOM 0 HA THR A 41 -6.999 -3.544 -8.771 1.00 0.00 H new ATOM 0 HB THR A 41 -4.708 -3.605 -9.271 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.372 -1.224 -8.773 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.978 -3.028 -11.747 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.430 -3.830 -11.101 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.416 -2.065 -11.332 1.00 0.00 H new ATOM 674 N LEU A 42 -6.805 -3.277 -6.345 1.00 0.00 N ATOM 675 CA LEU A 42 -6.634 -3.224 -4.881 1.00 0.00 C ATOM 676 C LEU A 42 -5.176 -3.385 -4.424 1.00 0.00 C ATOM 677 O LEU A 42 -4.826 -2.803 -3.407 1.00 0.00 O ATOM 678 CB LEU A 42 -7.559 -4.188 -4.100 1.00 0.00 C ATOM 679 CG LEU A 42 -9.072 -3.997 -4.194 1.00 0.00 C ATOM 680 CD1 LEU A 42 -9.455 -2.538 -4.095 1.00 0.00 C ATOM 681 CD2 LEU A 42 -9.665 -4.621 -5.450 1.00 0.00 C ATOM 0 H LEU A 42 -7.520 -3.933 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.946 -2.211 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.334 -5.202 -4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.284 -4.128 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.497 -4.524 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.538 -2.441 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.116 -2.137 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.987 -1.983 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.742 -4.455 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.215 -4.163 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.463 -5.692 -5.455 1.00 0.00 H new ATOM 693 N GLU A 43 -4.305 -4.077 -5.171 1.00 0.00 N ATOM 694 CA GLU A 43 -2.851 -4.073 -4.921 1.00 0.00 C ATOM 695 C GLU A 43 -2.231 -2.665 -4.789 1.00 0.00 C ATOM 696 O GLU A 43 -1.362 -2.468 -3.936 1.00 0.00 O ATOM 697 CB GLU A 43 -2.094 -4.916 -5.956 1.00 0.00 C ATOM 698 CG GLU A 43 -2.238 -4.445 -7.410 1.00 0.00 C ATOM 699 CD GLU A 43 -1.091 -5.008 -8.265 1.00 0.00 C ATOM 700 OE1 GLU A 43 -0.003 -4.381 -8.280 1.00 0.00 O ATOM 701 OE2 GLU A 43 -1.261 -6.080 -8.895 1.00 0.00 O ATOM 0 H GLU A 43 -4.584 -4.655 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.734 -4.537 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.036 -4.920 -5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.443 -5.946 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.196 -4.772 -7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.231 -3.356 -7.450 1.00 0.00 H new ATOM 708 N LEU A 44 -2.695 -1.687 -5.581 1.00 0.00 N ATOM 709 CA LEU A 44 -2.392 -0.270 -5.429 1.00 0.00 C ATOM 710 C LEU A 44 -2.869 0.209 -4.060 1.00 0.00 C ATOM 711 O LEU A 44 -2.069 0.659 -3.249 1.00 0.00 O ATOM 712 CB LEU A 44 -3.111 0.491 -6.563 1.00 0.00 C ATOM 713 CG LEU A 44 -2.715 1.951 -6.804 1.00 0.00 C ATOM 714 CD1 LEU A 44 -3.751 2.552 -7.745 1.00 0.00 C ATOM 715 CD2 LEU A 44 -2.596 2.834 -5.566 1.00 0.00 C ATOM 0 H LEU A 44 -3.313 -1.875 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.319 -0.090 -5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.949 -0.058 -7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.181 0.463 -6.359 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.706 1.927 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.503 3.595 -7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.756 1.997 -8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.737 2.494 -7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.311 3.843 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.555 2.866 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.837 2.425 -4.899 1.00 0.00 H new ATOM 727 N GLU A 45 -4.175 0.138 -3.805 1.00 0.00 N ATOM 728 CA GLU A 45 -4.775 0.776 -2.624 1.00 0.00 C ATOM 729 C GLU A 45 -4.314 0.153 -1.298 1.00 0.00 C ATOM 730 O GLU A 45 -4.154 0.874 -0.317 1.00 0.00 O ATOM 731 CB GLU A 45 -6.302 0.810 -2.755 1.00 0.00 C ATOM 732 CG GLU A 45 -6.721 1.893 -3.746 1.00 0.00 C ATOM 733 CD GLU A 45 -8.216 1.794 -4.083 1.00 0.00 C ATOM 734 OE1 GLU A 45 -8.595 1.017 -4.988 1.00 0.00 O ATOM 735 OE2 GLU A 45 -9.047 2.498 -3.464 1.00 0.00 O ATOM 0 H GLU A 45 -4.842 -0.355 -4.399 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.413 1.804 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.667 -0.161 -3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.754 1.002 -1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.505 2.876 -3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.133 1.800 -4.659 1.00 0.00 H new ATOM 742 N ILE A 46 -4.029 -1.152 -1.274 1.00 0.00 N ATOM 743 CA ILE A 46 -3.334 -1.866 -0.184 1.00 0.00 C ATOM 744 C ILE A 46 -1.991 -1.202 0.120 1.00 0.00 C ATOM 745 O ILE A 46 -1.755 -0.765 1.249 1.00 0.00 O ATOM 746 CB ILE A 46 -3.120 -3.333 -0.607 1.00 0.00 C ATOM 747 CG1 ILE A 46 -4.417 -4.123 -0.578 1.00 0.00 C ATOM 748 CG2 ILE A 46 -2.027 -4.095 0.173 1.00 0.00 C ATOM 749 CD1 ILE A 46 -4.416 -5.369 -1.465 1.00 0.00 C ATOM 0 H ILE A 46 -4.284 -1.771 -2.043 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.942 -1.829 0.720 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.755 -3.253 -1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.623 -4.423 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.233 -3.471 -0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.957 -5.116 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.068 -3.593 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.283 -4.114 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.379 -5.873 -1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.244 -5.078 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.624 -6.045 -1.142 1.00 0.00 H new ATOM 761 N ALA A 47 -1.115 -1.130 -0.889 1.00 0.00 N ATOM 762 CA ALA A 47 0.210 -0.550 -0.741 1.00 0.00 C ATOM 763 C ALA A 47 0.104 0.927 -0.348 1.00 0.00 C ATOM 764 O ALA A 47 0.742 1.355 0.605 1.00 0.00 O ATOM 765 CB ALA A 47 0.990 -0.743 -2.045 1.00 0.00 C ATOM 0 H ALA A 47 -1.312 -1.474 -1.829 1.00 0.00 H new ATOM 0 HA ALA A 47 0.751 -1.054 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.985 -0.310 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.078 -1.808 -2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.463 -0.249 -2.861 1.00 0.00 H new ATOM 771 N GLU A 48 -0.737 1.699 -1.035 1.00 0.00 N ATOM 772 CA GLU A 48 -0.894 3.136 -0.803 1.00 0.00 C ATOM 773 C GLU A 48 -1.430 3.427 0.608 1.00 0.00 C ATOM 774 O GLU A 48 -0.897 4.306 1.286 1.00 0.00 O ATOM 775 CB GLU A 48 -1.757 3.757 -1.913 1.00 0.00 C ATOM 776 CG GLU A 48 -1.696 5.291 -1.913 1.00 0.00 C ATOM 777 CD GLU A 48 -2.382 5.884 -3.161 1.00 0.00 C ATOM 778 OE1 GLU A 48 -3.633 5.959 -3.193 1.00 0.00 O ATOM 779 OE2 GLU A 48 -1.674 6.300 -4.111 1.00 0.00 O ATOM 0 H GLU A 48 -1.337 1.340 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 48 0.086 3.610 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.423 3.383 -2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.791 3.437 -1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.178 5.675 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.656 5.615 -1.880 1.00 0.00 H new ATOM 786 N SER A 49 -2.415 2.658 1.091 1.00 0.00 N ATOM 787 CA SER A 49 -2.914 2.772 2.466 1.00 0.00 C ATOM 788 C SER A 49 -1.836 2.466 3.519 1.00 0.00 C ATOM 789 O SER A 49 -1.601 3.296 4.396 1.00 0.00 O ATOM 790 CB SER A 49 -4.138 1.885 2.668 1.00 0.00 C ATOM 791 OG SER A 49 -5.206 2.269 1.823 1.00 0.00 O ATOM 0 H SER A 49 -2.887 1.941 0.540 1.00 0.00 H new ATOM 0 HA SER A 49 -3.203 3.813 2.611 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.872 0.847 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.459 1.939 3.708 1.00 0.00 H new ATOM 0 HG SER A 49 -5.065 1.896 0.928 1.00 0.00 H new ATOM 797 N ASP A 50 -1.139 1.323 3.443 1.00 0.00 N ATOM 798 CA ASP A 50 -0.024 1.010 4.351 1.00 0.00 C ATOM 799 C ASP A 50 1.154 2.014 4.264 1.00 0.00 C ATOM 800 O ASP A 50 1.760 2.361 5.278 1.00 0.00 O ATOM 801 CB ASP A 50 0.485 -0.403 4.057 1.00 0.00 C ATOM 802 CG ASP A 50 1.399 -0.907 5.183 1.00 0.00 C ATOM 803 OD1 ASP A 50 0.903 -1.071 6.323 1.00 0.00 O ATOM 804 OD2 ASP A 50 2.602 -1.155 4.935 1.00 0.00 O ATOM 0 H ASP A 50 -1.330 0.594 2.756 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.416 1.084 5.365 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.361 -1.081 3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.030 -0.408 3.113 1.00 0.00 H new ATOM 809 N VAL A 51 1.479 2.516 3.067 1.00 0.00 N ATOM 810 CA VAL A 51 2.531 3.524 2.831 1.00 0.00 C ATOM 811 C VAL A 51 2.150 4.850 3.485 1.00 0.00 C ATOM 812 O VAL A 51 2.981 5.492 4.126 1.00 0.00 O ATOM 813 CB VAL A 51 2.817 3.683 1.323 1.00 0.00 C ATOM 814 CG1 VAL A 51 3.578 4.967 0.975 1.00 0.00 C ATOM 815 CG2 VAL A 51 3.666 2.492 0.851 1.00 0.00 C ATOM 0 H VAL A 51 1.008 2.228 2.210 1.00 0.00 H new ATOM 0 HA VAL A 51 3.456 3.180 3.294 1.00 0.00 H new ATOM 0 HB VAL A 51 1.848 3.728 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.744 5.011 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.994 5.832 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.538 4.972 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.875 2.593 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.605 2.472 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.121 1.564 1.027 1.00 0.00 H new ATOM 825 N GLU A 52 0.884 5.254 3.404 1.00 0.00 N ATOM 826 CA GLU A 52 0.401 6.441 4.105 1.00 0.00 C ATOM 827 C GLU A 52 0.281 6.284 5.632 1.00 0.00 C ATOM 828 O GLU A 52 0.291 7.293 6.339 1.00 0.00 O ATOM 829 CB GLU A 52 -0.925 6.930 3.505 1.00 0.00 C ATOM 830 CG GLU A 52 -0.717 7.779 2.247 1.00 0.00 C ATOM 831 CD GLU A 52 -1.851 8.807 2.082 1.00 0.00 C ATOM 832 OE1 GLU A 52 -1.732 9.917 2.660 1.00 0.00 O ATOM 833 OE2 GLU A 52 -2.852 8.524 1.380 1.00 0.00 O ATOM 0 H GLU A 52 0.170 4.773 2.856 1.00 0.00 H new ATOM 0 HA GLU A 52 1.173 7.195 3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.550 6.071 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.464 7.515 4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.241 8.295 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.677 7.133 1.370 1.00 0.00 H new ATOM 840 N VAL A 53 0.266 5.061 6.174 1.00 0.00 N ATOM 841 CA VAL A 53 0.429 4.837 7.623 1.00 0.00 C ATOM 842 C VAL A 53 1.876 5.131 8.002 1.00 0.00 C ATOM 843 O VAL A 53 2.158 5.643 9.079 1.00 0.00 O ATOM 844 CB VAL A 53 0.028 3.396 8.007 1.00 0.00 C ATOM 845 CG1 VAL A 53 0.531 2.944 9.385 1.00 0.00 C ATOM 846 CG2 VAL A 53 -1.496 3.271 7.984 1.00 0.00 C ATOM 0 H VAL A 53 0.142 4.206 5.632 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.230 5.507 8.175 1.00 0.00 H new ATOM 0 HB VAL A 53 0.504 2.749 7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.205 1.921 9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.620 2.987 9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.126 3.602 10.154 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.782 2.255 8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.929 3.972 8.697 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.865 3.497 6.983 1.00 0.00 H new ATOM 856 N LYS A 54 2.795 4.866 7.075 1.00 0.00 N ATOM 857 CA LYS A 54 4.239 4.984 7.233 1.00 0.00 C ATOM 858 C LYS A 54 4.663 6.445 7.221 1.00 0.00 C ATOM 859 O LYS A 54 5.287 6.921 8.165 1.00 0.00 O ATOM 860 CB LYS A 54 4.894 4.150 6.114 1.00 0.00 C ATOM 861 CG LYS A 54 5.783 3.081 6.740 1.00 0.00 C ATOM 862 CD LYS A 54 4.960 1.962 7.406 1.00 0.00 C ATOM 863 CE LYS A 54 5.836 0.985 8.204 1.00 0.00 C ATOM 864 NZ LYS A 54 6.449 1.619 9.402 1.00 0.00 N ATOM 0 H LYS A 54 2.535 4.545 6.142 1.00 0.00 H new ATOM 0 HA LYS A 54 4.568 4.597 8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.127 3.685 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.484 4.794 5.462 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.426 2.650 5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.436 3.541 7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.219 2.406 8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.413 1.412 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.233 0.133 8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.624 0.598 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.873 0.885 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.185 2.289 9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.717 2.127 9.939 1.00 0.00 H new ATOM 878 N LYS A 55 4.175 7.172 6.216 1.00 0.00 N ATOM 879 CA LYS A 55 4.018 8.631 6.193 1.00 0.00 C ATOM 880 C LYS A 55 3.507 9.154 7.547 1.00 0.00 C ATOM 881 O LYS A 55 4.172 9.997 8.146 1.00 0.00 O ATOM 882 CB LYS A 55 3.159 8.940 4.950 1.00 0.00 C ATOM 883 CG LYS A 55 3.154 10.387 4.457 1.00 0.00 C ATOM 884 CD LYS A 55 2.258 11.241 5.346 1.00 0.00 C ATOM 885 CE LYS A 55 0.751 10.978 5.182 1.00 0.00 C ATOM 886 NZ LYS A 55 0.230 11.470 3.878 1.00 0.00 N ATOM 0 H LYS A 55 3.861 6.738 5.348 1.00 0.00 H new ATOM 0 HA LYS A 55 4.956 9.175 6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.502 8.304 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.131 8.652 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.169 10.784 4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.801 10.427 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.532 11.069 6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.455 12.292 5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.560 9.908 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.209 11.464 5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.332 10.722 3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.369 12.305 4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.026 11.727 3.261 1.00 0.00 H new ATOM 900 N ALA A 56 2.364 8.673 8.043 1.00 0.00 N ATOM 901 CA ALA A 56 1.757 9.191 9.274 1.00 0.00 C ATOM 902 C ALA A 56 2.620 8.933 10.527 1.00 0.00 C ATOM 903 O ALA A 56 2.684 9.775 11.423 1.00 0.00 O ATOM 904 CB ALA A 56 0.344 8.622 9.416 1.00 0.00 C ATOM 0 H ALA A 56 1.835 7.918 7.606 1.00 0.00 H new ATOM 0 HA ALA A 56 1.697 10.276 9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.112 9.004 10.330 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.257 8.922 8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.393 7.534 9.462 1.00 0.00 H new ATOM 910 N GLU A 57 3.344 7.812 10.582 1.00 0.00 N ATOM 911 CA GLU A 57 4.367 7.577 11.607 1.00 0.00 C ATOM 912 C GLU A 57 5.488 8.618 11.571 1.00 0.00 C ATOM 913 O GLU A 57 5.860 9.122 12.631 1.00 0.00 O ATOM 914 CB GLU A 57 4.950 6.161 11.512 1.00 0.00 C ATOM 915 CG GLU A 57 3.922 5.135 11.967 1.00 0.00 C ATOM 916 CD GLU A 57 4.571 3.756 12.180 1.00 0.00 C ATOM 917 OE1 GLU A 57 4.894 3.074 11.175 1.00 0.00 O ATOM 918 OE2 GLU A 57 4.773 3.347 13.349 1.00 0.00 O ATOM 0 H GLU A 57 3.239 7.043 9.920 1.00 0.00 H new ATOM 0 HA GLU A 57 3.859 7.678 12.566 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.252 5.953 10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.846 6.087 12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.457 5.469 12.895 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.129 5.056 11.223 1.00 0.00 H new ATOM 925 N LEU A 58 5.997 8.999 10.391 1.00 0.00 N ATOM 926 CA LEU A 58 7.004 10.066 10.301 1.00 0.00 C ATOM 927 C LEU A 58 6.449 11.395 10.837 1.00 0.00 C ATOM 928 O LEU A 58 7.174 12.156 11.475 1.00 0.00 O ATOM 929 CB LEU A 58 7.556 10.289 8.878 1.00 0.00 C ATOM 930 CG LEU A 58 7.764 9.092 7.943 1.00 0.00 C ATOM 931 CD1 LEU A 58 8.599 9.603 6.776 1.00 0.00 C ATOM 932 CD2 LEU A 58 8.470 7.911 8.612 1.00 0.00 C ATOM 0 H LEU A 58 5.732 8.590 9.495 1.00 0.00 H new ATOM 0 HA LEU A 58 7.834 9.724 10.919 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.883 10.982 8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.517 10.794 8.978 1.00 0.00 H new ATOM 0 HG LEU A 58 6.792 8.709 7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.780 8.789 6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.064 10.407 6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.552 9.980 7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.584 7.100 7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.453 8.226 8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.877 7.565 9.458 1.00 0.00 H new ATOM 944 N GLU A 59 5.160 11.675 10.613 1.00 0.00 N ATOM 945 CA GLU A 59 4.523 12.885 11.138 1.00 0.00 C ATOM 946 C GLU A 59 4.486 12.868 12.671 1.00 0.00 C ATOM 947 O GLU A 59 4.815 13.871 13.305 1.00 0.00 O ATOM 948 CB GLU A 59 3.121 13.070 10.542 1.00 0.00 C ATOM 949 CG GLU A 59 3.144 13.402 9.055 1.00 0.00 C ATOM 950 CD GLU A 59 1.736 13.744 8.533 1.00 0.00 C ATOM 951 OE1 GLU A 59 0.980 12.815 8.161 1.00 0.00 O ATOM 952 OE2 GLU A 59 1.383 14.947 8.481 1.00 0.00 O ATOM 0 H GLU A 59 4.537 11.077 10.070 1.00 0.00 H new ATOM 0 HA GLU A 59 5.124 13.742 10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.544 12.158 10.696 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.607 13.867 11.079 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.813 14.244 8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.544 12.555 8.498 1.00 0.00 H new ATOM 959 N LEU A 60 4.168 11.728 13.289 1.00 0.00 N ATOM 960 CA LEU A 60 4.234 11.583 14.734 1.00 0.00 C ATOM 961 C LEU A 60 5.644 11.561 15.318 1.00 0.00 C ATOM 962 O LEU A 60 5.790 12.008 16.452 1.00 0.00 O ATOM 963 CB LEU A 60 3.457 10.345 15.183 1.00 0.00 C ATOM 964 CG LEU A 60 2.012 10.641 15.589 1.00 0.00 C ATOM 965 CD1 LEU A 60 1.865 11.778 16.608 1.00 0.00 C ATOM 966 CD2 LEU A 60 1.121 10.937 14.380 1.00 0.00 C ATOM 0 H LEU A 60 3.860 10.888 12.800 1.00 0.00 H new ATOM 0 HA LEU A 60 3.772 12.487 15.131 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.456 9.614 14.374 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.975 9.887 16.025 1.00 0.00 H new ATOM 0 HG LEU A 60 1.681 9.722 16.074 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.810 11.923 16.842 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.407 11.523 17.519 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.274 12.697 16.189 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.105 11.141 14.718 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.508 11.806 13.847 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.115 10.075 13.713 1.00 0.00 H new ATOM 978 N VAL A 61 6.680 11.108 14.599 1.00 0.00 N ATOM 979 CA VAL A 61 8.070 11.232 15.079 1.00 0.00 C ATOM 980 C VAL A 61 8.430 12.709 15.334 1.00 0.00 C ATOM 981 O VAL A 61 9.142 13.005 16.299 1.00 0.00 O ATOM 982 CB VAL A 61 9.056 10.492 14.156 1.00 0.00 C ATOM 983 CG1 VAL A 61 10.521 10.751 14.516 1.00 0.00 C ATOM 984 CG2 VAL A 61 8.868 8.973 14.263 1.00 0.00 C ATOM 0 H VAL A 61 6.587 10.655 13.690 1.00 0.00 H new ATOM 0 HA VAL A 61 8.157 10.732 16.044 1.00 0.00 H new ATOM 0 HB VAL A 61 8.841 10.868 13.156 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.167 10.202 13.830 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.732 11.818 14.438 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.709 10.418 15.537 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.575 8.471 13.602 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.044 8.656 15.291 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.851 8.711 13.972 1.00 0.00 H new ATOM 994 N LYS A 62 7.855 13.654 14.569 1.00 0.00 N ATOM 995 CA LYS A 62 7.856 15.080 14.948 1.00 0.00 C ATOM 996 C LYS A 62 7.091 15.311 16.254 1.00 0.00 C ATOM 997 O LYS A 62 7.649 15.842 17.209 1.00 0.00 O ATOM 998 CB LYS A 62 7.256 16.005 13.877 1.00 0.00 C ATOM 999 CG LYS A 62 7.875 15.791 12.500 1.00 0.00 C ATOM 1000 CD LYS A 62 7.531 16.918 11.523 1.00 0.00 C ATOM 1001 CE LYS A 62 6.025 17.006 11.229 1.00 0.00 C ATOM 1002 NZ LYS A 62 5.720 18.100 10.268 1.00 0.00 N ATOM 0 H LYS A 62 7.384 13.457 13.686 1.00 0.00 H new ATOM 0 HA LYS A 62 8.910 15.333 15.067 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.181 15.836 13.818 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.399 17.043 14.178 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.958 15.718 12.599 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.527 14.842 12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.873 17.868 11.934 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.071 16.762 10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.676 16.056 10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.481 17.175 12.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.696 18.132 10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.031 19.009 10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.220 17.925 9.373 1.00 0.00 H new ATOM 1016 N GLU A 63 5.806 14.949 16.299 1.00 0.00 N ATOM 1017 CA GLU A 63 4.886 15.394 17.348 1.00 0.00 C ATOM 1018 C GLU A 63 5.096 14.698 18.703 1.00 0.00 C ATOM 1019 O GLU A 63 4.500 15.097 19.702 1.00 0.00 O ATOM 1020 CB GLU A 63 3.441 15.257 16.856 1.00 0.00 C ATOM 1021 CG GLU A 63 3.106 16.249 15.741 1.00 0.00 C ATOM 1022 CD GLU A 63 1.607 16.211 15.388 1.00 0.00 C ATOM 1023 OE1 GLU A 63 0.813 16.946 16.025 1.00 0.00 O ATOM 1024 OE2 GLU A 63 1.210 15.462 14.462 1.00 0.00 O ATOM 0 H GLU A 63 5.374 14.337 15.607 1.00 0.00 H new ATOM 0 HA GLU A 63 5.107 16.444 17.542 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.278 14.241 16.496 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.759 15.412 17.692 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.383 17.256 16.053 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.696 16.016 14.855 1.00 0.00 H new ATOM 1031 N GLU A 64 5.981 13.703 18.777 1.00 0.00 N ATOM 1032 CA GLU A 64 6.653 13.367 20.024 1.00 0.00 C ATOM 1033 C GLU A 64 7.740 14.396 20.391 1.00 0.00 C ATOM 1034 O GLU A 64 7.600 15.091 21.394 1.00 0.00 O ATOM 1035 CB GLU A 64 7.151 11.913 20.013 1.00 0.00 C ATOM 1036 CG GLU A 64 8.111 11.469 18.905 1.00 0.00 C ATOM 1037 CD GLU A 64 8.858 10.183 19.266 1.00 0.00 C ATOM 1038 OE1 GLU A 64 9.917 10.286 19.931 1.00 0.00 O ATOM 1039 OE2 GLU A 64 8.451 9.075 18.855 1.00 0.00 O ATOM 0 H GLU A 64 6.246 13.118 17.985 1.00 0.00 H new ATOM 0 HA GLU A 64 5.922 13.428 20.830 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.641 11.725 20.969 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.276 11.265 19.970 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.551 11.315 17.982 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.832 12.263 18.712 1.00 0.00 H new ATOM 1046 N ALA A 65 8.827 14.506 19.621 1.00 0.00 N ATOM 1047 CA ALA A 65 10.127 14.971 20.140 1.00 0.00 C ATOM 1048 C ALA A 65 10.531 16.416 19.750 1.00 0.00 C ATOM 1049 O ALA A 65 11.559 16.923 20.200 1.00 0.00 O ATOM 1050 CB ALA A 65 11.173 13.912 19.775 1.00 0.00 C ATOM 0 H ALA A 65 8.836 14.278 18.627 1.00 0.00 H new ATOM 0 HA ALA A 65 10.048 15.066 21.223 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.150 14.223 20.144 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.900 12.959 20.229 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.214 13.799 18.692 1.00 0.00 H new ATOM 1056 N LYS A 66 9.692 17.103 18.969 1.00 0.00 N ATOM 1057 CA LYS A 66 9.717 18.562 18.686 1.00 0.00 C ATOM 1058 C LYS A 66 9.230 19.443 19.842 1.00 0.00 C ATOM 1059 O LYS A 66 9.230 20.671 19.765 1.00 0.00 O ATOM 1060 CB LYS A 66 8.762 18.844 17.526 1.00 0.00 C ATOM 1061 CG LYS A 66 9.268 18.450 16.156 1.00 0.00 C ATOM 1062 CD LYS A 66 10.588 19.082 15.713 1.00 0.00 C ATOM 1063 CE LYS A 66 10.439 20.609 15.638 1.00 0.00 C ATOM 1064 NZ LYS A 66 11.686 21.276 15.192 1.00 0.00 N ATOM 0 H LYS A 66 8.926 16.637 18.482 1.00 0.00 H new ATOM 0 HA LYS A 66 10.760 18.804 18.484 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.825 18.319 17.713 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.533 19.910 17.517 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.383 17.366 16.132 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.503 18.706 15.422 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.380 18.819 16.414 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.881 18.688 14.740 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.630 20.859 14.951 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.155 20.993 16.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.563 22.308 15.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.472 20.993 15.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.898 20.996 14.213 1.00 0.00 H new ATOM 1078 N GLU A 67 8.700 18.802 20.863 1.00 0.00 N ATOM 1079 CA GLU A 67 7.339 18.895 21.310 1.00 0.00 C ATOM 1080 C GLU A 67 7.361 18.454 22.724 1.00 0.00 C ATOM 1081 O GLU A 67 8.424 18.128 23.278 1.00 0.00 O ATOM 1082 CB GLU A 67 6.517 17.865 20.525 1.00 0.00 C ATOM 1083 CG GLU A 67 5.429 18.349 19.576 1.00 0.00 C ATOM 1084 CD GLU A 67 4.928 19.800 19.732 1.00 0.00 C ATOM 1085 OE1 GLU A 67 5.673 20.745 19.382 1.00 0.00 O ATOM 1086 OE2 GLU A 67 3.766 20.005 20.157 1.00 0.00 O ATOM 0 H GLU A 67 9.251 18.162 21.435 1.00 0.00 H new ATOM 0 HA GLU A 67 6.926 19.896 21.183 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.215 17.263 19.944 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.048 17.199 21.249 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.797 18.230 18.557 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.571 17.685 19.685 1.00 0.00 H new ATOM 1093 N PRO A 68 6.185 18.475 23.361 1.00 0.00 N ATOM 1094 CA PRO A 68 6.236 18.636 24.772 1.00 0.00 C ATOM 1095 C PRO A 68 6.630 17.408 25.553 1.00 0.00 C ATOM 1096 O PRO A 68 6.637 17.352 26.785 1.00 0.00 O ATOM 1097 CB PRO A 68 4.867 19.124 25.151 1.00 0.00 C ATOM 1098 CG PRO A 68 4.054 18.310 24.163 1.00 0.00 C ATOM 1099 CD PRO A 68 4.814 18.627 22.916 1.00 0.00 C ATOM 0 HA PRO A 68 7.031 19.335 25.030 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.613 18.906 26.188 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.748 20.199 25.012 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.052 17.245 24.396 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.012 18.627 24.113 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.569 17.944 22.103 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.610 19.636 22.557 1.00 0.00 H new ATOM 1107 N ARG A 69 6.864 16.397 24.740 1.00 0.00 N ATOM 1108 CA ARG A 69 7.024 15.031 25.042 1.00 0.00 C ATOM 1109 C ARG A 69 5.985 14.562 26.017 1.00 0.00 C ATOM 1110 O ARG A 69 6.210 13.830 26.980 1.00 0.00 O ATOM 1111 CB ARG A 69 8.513 14.894 25.329 1.00 0.00 C ATOM 1112 CG ARG A 69 9.200 14.395 24.064 1.00 0.00 C ATOM 1113 CD ARG A 69 8.518 13.102 23.590 1.00 0.00 C ATOM 1114 NE ARG A 69 9.393 12.244 22.783 1.00 0.00 N ATOM 1115 CZ ARG A 69 10.438 11.541 23.193 1.00 0.00 C ATOM 1116 NH1 ARG A 69 10.876 11.580 24.420 1.00 0.00 N ATOM 1117 NH2 ARG A 69 11.070 10.763 22.368 1.00 0.00 N ATOM 0 H ARG A 69 6.953 16.559 23.737 1.00 0.00 H new ATOM 0 HA ARG A 69 6.807 14.312 24.252 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.931 15.853 25.635 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.679 14.198 26.151 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.147 15.155 23.284 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.257 14.212 24.259 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.174 12.542 24.459 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.634 13.359 23.006 1.00 0.00 H new ATOM 0 HE ARG A 69 9.170 12.182 21.790 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.410 12.170 25.109 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.685 11.021 24.691 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.762 10.691 21.398 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.874 10.224 22.690 1.00 0.00 H new ATOM 1131 N ASN A 70 4.787 14.937 25.578 1.00 0.00 N ATOM 1132 CA ASN A 70 3.563 14.298 25.954 1.00 0.00 C ATOM 1133 C ASN A 70 3.451 13.011 25.134 1.00 0.00 C ATOM 1134 O ASN A 70 2.715 12.892 24.157 1.00 0.00 O ATOM 1135 CB ASN A 70 2.385 15.277 25.813 1.00 0.00 C ATOM 1136 CG ASN A 70 1.090 14.731 26.395 1.00 0.00 C ATOM 1137 OD1 ASN A 70 0.992 13.596 26.839 1.00 0.00 O ATOM 1138 ND2 ASN A 70 0.053 15.536 26.431 1.00 0.00 N ATOM 0 H ASN A 70 4.654 15.717 24.934 1.00 0.00 H new ATOM 0 HA ASN A 70 3.544 14.012 27.006 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.635 16.213 26.312 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.235 15.508 24.758 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.829 15.214 26.828 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.130 16.484 26.062 1.00 0.00 H new ATOM 1145 N GLU A 71 4.292 12.070 25.535 1.00 0.00 N ATOM 1146 CA GLU A 71 4.502 10.730 25.013 1.00 0.00 C ATOM 1147 C GLU A 71 3.207 9.957 24.709 1.00 0.00 C ATOM 1148 O GLU A 71 3.173 9.123 23.808 1.00 0.00 O ATOM 1149 CB GLU A 71 5.341 10.060 26.102 1.00 0.00 C ATOM 1150 CG GLU A 71 5.942 8.752 25.629 1.00 0.00 C ATOM 1151 CD GLU A 71 6.773 8.073 26.735 1.00 0.00 C ATOM 1152 OE1 GLU A 71 6.198 7.318 27.556 1.00 0.00 O ATOM 1153 OE2 GLU A 71 8.009 8.283 26.788 1.00 0.00 O ATOM 0 H GLU A 71 4.914 12.249 26.324 1.00 0.00 H new ATOM 0 HA GLU A 71 4.990 10.751 24.039 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.139 10.735 26.412 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.719 9.878 26.978 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.145 8.081 25.308 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.574 8.935 24.760 1.00 0.00 H new ATOM 1160 N GLU A 72 2.113 10.265 25.403 1.00 0.00 N ATOM 1161 CA GLU A 72 0.804 9.670 25.156 1.00 0.00 C ATOM 1162 C GLU A 72 0.264 9.985 23.751 1.00 0.00 C ATOM 1163 O GLU A 72 -0.493 9.181 23.203 1.00 0.00 O ATOM 1164 CB GLU A 72 -0.177 10.148 26.233 1.00 0.00 C ATOM 1165 CG GLU A 72 0.112 9.499 27.593 1.00 0.00 C ATOM 1166 CD GLU A 72 -0.889 9.969 28.667 1.00 0.00 C ATOM 1167 OE1 GLU A 72 -2.057 9.507 28.660 1.00 0.00 O ATOM 1168 OE2 GLU A 72 -0.514 10.786 29.544 1.00 0.00 O ATOM 0 H GLU A 72 2.113 10.945 26.163 1.00 0.00 H new ATOM 0 HA GLU A 72 0.914 8.587 25.205 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.114 11.232 26.327 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.196 9.913 25.927 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.062 8.414 27.498 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.126 9.745 27.907 1.00 0.00 H new ATOM 1175 N LYS A 73 0.627 11.129 23.144 1.00 0.00 N ATOM 1176 CA LYS A 73 -0.003 11.574 21.889 1.00 0.00 C ATOM 1177 C LYS A 73 0.508 10.837 20.647 1.00 0.00 C ATOM 1178 O LYS A 73 -0.295 10.461 19.796 1.00 0.00 O ATOM 1179 CB LYS A 73 0.056 13.099 21.719 1.00 0.00 C ATOM 1180 CG LYS A 73 -0.341 13.963 22.931 1.00 0.00 C ATOM 1181 CD LYS A 73 -1.541 13.535 23.790 1.00 0.00 C ATOM 1182 CE LYS A 73 -2.806 13.143 23.023 1.00 0.00 C ATOM 1183 NZ LYS A 73 -3.404 14.278 22.270 1.00 0.00 N ATOM 0 H LYS A 73 1.348 11.758 23.499 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.054 11.298 21.980 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.073 13.367 21.433 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.592 13.370 20.885 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.527 14.028 23.587 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.540 14.970 22.566 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.238 12.690 24.408 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.789 14.353 24.467 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.568 12.338 22.328 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.543 12.751 23.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.257 13.953 21.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.659 15.038 22.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.715 14.638 21.579 1.00 0.00 H new ATOM 1197 N VAL A 74 1.811 10.552 20.564 1.00 0.00 N ATOM 1198 CA VAL A 74 2.363 9.620 19.554 1.00 0.00 C ATOM 1199 C VAL A 74 1.721 8.227 19.682 1.00 0.00 C ATOM 1200 O VAL A 74 1.317 7.637 18.682 1.00 0.00 O ATOM 1201 CB VAL A 74 3.901 9.569 19.542 1.00 0.00 C ATOM 1202 CG1 VAL A 74 4.479 9.398 20.936 1.00 0.00 C ATOM 1203 CG2 VAL A 74 4.461 8.454 18.650 1.00 0.00 C ATOM 0 H VAL A 74 2.514 10.952 21.185 1.00 0.00 H new ATOM 0 HA VAL A 74 2.092 10.019 18.576 1.00 0.00 H new ATOM 0 HB VAL A 74 4.204 10.532 19.131 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.567 9.367 20.878 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.173 10.236 21.562 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.113 8.468 21.370 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.550 8.472 18.685 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.102 7.488 19.006 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.129 8.608 17.623 1.00 0.00 H new ATOM 1213 N LYS A 75 1.566 7.713 20.912 1.00 0.00 N ATOM 1214 CA LYS A 75 0.997 6.380 21.195 1.00 0.00 C ATOM 1215 C LYS A 75 -0.483 6.254 20.849 1.00 0.00 C ATOM 1216 O LYS A 75 -0.867 5.298 20.175 1.00 0.00 O ATOM 1217 CB LYS A 75 1.239 6.018 22.669 1.00 0.00 C ATOM 1218 CG LYS A 75 2.728 5.834 23.006 1.00 0.00 C ATOM 1219 CD LYS A 75 3.501 4.875 22.087 1.00 0.00 C ATOM 1220 CE LYS A 75 2.778 3.533 21.915 1.00 0.00 C ATOM 1221 NZ LYS A 75 3.645 2.533 21.237 1.00 0.00 N ATOM 0 H LYS A 75 1.837 8.219 21.755 1.00 0.00 H new ATOM 0 HA LYS A 75 1.513 5.675 20.543 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.823 6.801 23.303 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.703 5.099 22.904 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.213 6.810 22.974 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.808 5.471 24.031 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.638 5.340 21.111 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.495 4.701 22.499 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.476 3.153 22.891 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.867 3.680 21.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.127 1.637 21.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.913 2.887 20.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.502 2.375 21.804 1.00 0.00 H new ATOM 1235 N GLN A 76 -1.288 7.245 21.230 1.00 0.00 N ATOM 1236 CA GLN A 76 -2.659 7.420 20.743 1.00 0.00 C ATOM 1237 C GLN A 76 -2.708 7.324 19.220 1.00 0.00 C ATOM 1238 O GLN A 76 -3.514 6.585 18.654 1.00 0.00 O ATOM 1239 CB GLN A 76 -3.182 8.799 21.193 1.00 0.00 C ATOM 1240 CG GLN A 76 -4.532 9.109 20.514 1.00 0.00 C ATOM 1241 CD GLN A 76 -5.216 10.404 20.939 1.00 0.00 C ATOM 1242 OE1 GLN A 76 -4.898 11.043 21.935 1.00 0.00 O ATOM 1243 NE2 GLN A 76 -6.181 10.847 20.162 1.00 0.00 N ATOM 0 H GLN A 76 -1.002 7.962 21.897 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.285 6.630 21.157 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.300 8.814 22.276 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.455 9.571 20.941 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.374 9.142 19.436 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.213 8.281 20.711 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.450 10.319 19.332 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.660 11.718 20.390 1.00 0.00 H new ATOM 1252 N ALA A 77 -1.850 8.095 18.556 1.00 0.00 N ATOM 1253 CA ALA A 77 -1.907 8.224 17.111 1.00 0.00 C ATOM 1254 C ALA A 77 -1.473 6.922 16.431 1.00 0.00 C ATOM 1255 O ALA A 77 -2.034 6.563 15.397 1.00 0.00 O ATOM 1256 CB ALA A 77 -1.070 9.422 16.699 1.00 0.00 C ATOM 0 H ALA A 77 -1.109 8.638 19.000 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.931 8.400 16.783 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.102 9.533 15.615 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.467 10.322 17.168 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.038 9.272 17.018 1.00 0.00 H new ATOM 1262 N LYS A 78 -0.556 6.160 17.045 1.00 0.00 N ATOM 1263 CA LYS A 78 -0.188 4.823 16.575 1.00 0.00 C ATOM 1264 C LYS A 78 -1.384 3.876 16.532 1.00 0.00 C ATOM 1265 O LYS A 78 -1.564 3.188 15.536 1.00 0.00 O ATOM 1266 CB LYS A 78 0.964 4.220 17.381 1.00 0.00 C ATOM 1267 CG LYS A 78 1.713 3.215 16.485 1.00 0.00 C ATOM 1268 CD LYS A 78 2.004 1.869 17.157 1.00 0.00 C ATOM 1269 CE LYS A 78 0.724 1.019 17.178 1.00 0.00 C ATOM 1270 NZ LYS A 78 0.984 -0.388 17.572 1.00 0.00 N ATOM 0 H LYS A 78 -0.051 6.456 17.880 1.00 0.00 H new ATOM 0 HA LYS A 78 0.164 4.950 15.551 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.641 5.004 17.719 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.583 3.722 18.273 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.124 3.039 15.585 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.655 3.661 16.167 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.793 1.344 16.618 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.364 2.028 18.173 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.009 1.461 17.872 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.263 1.037 16.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.124 -0.954 17.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.756 -0.774 16.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.254 -0.423 18.576 1.00 0.00 H new ATOM 1284 N ALA A 79 -2.219 3.855 17.571 1.00 0.00 N ATOM 1285 CA ALA A 79 -3.458 3.070 17.588 1.00 0.00 C ATOM 1286 C ALA A 79 -4.469 3.506 16.502 1.00 0.00 C ATOM 1287 O ALA A 79 -5.215 2.681 15.967 1.00 0.00 O ATOM 1288 CB ALA A 79 -4.069 3.143 18.992 1.00 0.00 C ATOM 0 H ALA A 79 -2.056 4.383 18.428 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.210 2.036 17.346 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.991 2.563 19.018 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.364 2.736 19.717 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.286 4.182 19.241 1.00 0.00 H new ATOM 1294 N GLU A 80 -4.483 4.792 16.140 1.00 0.00 N ATOM 1295 CA GLU A 80 -5.348 5.319 15.078 1.00 0.00 C ATOM 1296 C GLU A 80 -4.828 4.900 13.698 1.00 0.00 C ATOM 1297 O GLU A 80 -5.599 4.393 12.881 1.00 0.00 O ATOM 1298 CB GLU A 80 -5.498 6.848 15.190 1.00 0.00 C ATOM 1299 CG GLU A 80 -6.312 7.248 16.435 1.00 0.00 C ATOM 1300 CD GLU A 80 -6.459 8.777 16.615 1.00 0.00 C ATOM 1301 OE1 GLU A 80 -6.558 9.519 15.607 1.00 0.00 O ATOM 1302 OE2 GLU A 80 -6.519 9.250 17.778 1.00 0.00 O ATOM 0 H GLU A 80 -3.893 5.500 16.576 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.342 4.888 15.202 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.511 7.309 15.236 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.988 7.233 14.295 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.304 6.802 16.369 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.833 6.831 17.321 1.00 0.00 H new ATOM 1309 N VAL A 81 -3.521 5.027 13.432 1.00 0.00 N ATOM 1310 CA VAL A 81 -2.944 4.580 12.163 1.00 0.00 C ATOM 1311 C VAL A 81 -2.843 3.053 12.065 1.00 0.00 C ATOM 1312 O VAL A 81 -2.881 2.512 10.966 1.00 0.00 O ATOM 1313 CB VAL A 81 -1.616 5.280 11.861 1.00 0.00 C ATOM 1314 CG1 VAL A 81 -1.760 6.807 11.857 1.00 0.00 C ATOM 1315 CG2 VAL A 81 -0.451 4.890 12.765 1.00 0.00 C ATOM 0 H VAL A 81 -2.847 5.435 14.079 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.640 4.881 11.380 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.366 4.921 10.863 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.794 7.263 11.639 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.481 7.102 11.095 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.107 7.142 12.834 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.441 5.441 12.467 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.697 5.129 13.800 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.263 3.820 12.675 1.00 0.00 H new ATOM 1325 N GLU A 82 -2.814 2.330 13.188 1.00 0.00 N ATOM 1326 CA GLU A 82 -3.005 0.872 13.238 1.00 0.00 C ATOM 1327 C GLU A 82 -4.400 0.453 12.734 1.00 0.00 C ATOM 1328 O GLU A 82 -4.530 -0.589 12.090 1.00 0.00 O ATOM 1329 CB GLU A 82 -2.743 0.354 14.664 1.00 0.00 C ATOM 1330 CG GLU A 82 -2.779 -1.176 14.785 1.00 0.00 C ATOM 1331 CD GLU A 82 -2.491 -1.621 16.231 1.00 0.00 C ATOM 1332 OE1 GLU A 82 -1.304 -1.629 16.641 1.00 0.00 O ATOM 1333 OE2 GLU A 82 -3.444 -1.967 16.970 1.00 0.00 O ATOM 0 H GLU A 82 -2.655 2.746 14.106 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.282 0.415 12.563 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.769 0.712 14.997 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.487 0.780 15.337 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.756 -1.546 14.474 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.043 -1.615 14.112 1.00 0.00 H new ATOM 1340 N SER A 83 -5.441 1.271 12.943 1.00 0.00 N ATOM 1341 CA SER A 83 -6.761 1.015 12.349 1.00 0.00 C ATOM 1342 C SER A 83 -6.704 1.199 10.830 1.00 0.00 C ATOM 1343 O SER A 83 -7.306 0.432 10.081 1.00 0.00 O ATOM 1344 CB SER A 83 -7.843 1.917 12.958 1.00 0.00 C ATOM 1345 OG SER A 83 -7.954 1.703 14.358 1.00 0.00 O ATOM 0 H SER A 83 -5.395 2.113 13.517 1.00 0.00 H new ATOM 0 HA SER A 83 -7.030 -0.017 12.573 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.602 2.962 12.764 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.801 1.717 12.479 1.00 0.00 H new ATOM 0 HG SER A 83 -7.119 1.970 14.797 1.00 0.00 H new ATOM 1351 N LYS A 84 -5.926 2.177 10.350 1.00 0.00 N ATOM 1352 CA LYS A 84 -5.702 2.409 8.912 1.00 0.00 C ATOM 1353 C LYS A 84 -4.816 1.344 8.253 1.00 0.00 C ATOM 1354 O LYS A 84 -5.074 0.959 7.112 1.00 0.00 O ATOM 1355 CB LYS A 84 -5.203 3.848 8.682 1.00 0.00 C ATOM 1356 CG LYS A 84 -6.130 4.952 9.242 1.00 0.00 C ATOM 1357 CD LYS A 84 -7.622 4.603 9.121 1.00 0.00 C ATOM 1358 CE LYS A 84 -8.558 5.801 9.257 1.00 0.00 C ATOM 1359 NZ LYS A 84 -9.970 5.347 9.161 1.00 0.00 N ATOM 0 H LYS A 84 -5.430 2.836 10.950 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.661 2.303 8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.219 3.954 9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.077 4.007 7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.887 5.125 10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.937 5.884 8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.795 4.129 8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.875 3.870 9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.390 6.299 10.212 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.347 6.531 8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.542 6.087 8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.017 4.476 8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.340 5.160 10.115 1.00 0.00 H new ATOM 1373 N LYS A 85 -3.855 0.773 8.986 1.00 0.00 N ATOM 1374 CA LYS A 85 -3.154 -0.467 8.617 1.00 0.00 C ATOM 1375 C LYS A 85 -4.123 -1.643 8.493 1.00 0.00 C ATOM 1376 O LYS A 85 -4.060 -2.373 7.506 1.00 0.00 O ATOM 1377 CB LYS A 85 -2.036 -0.746 9.632 1.00 0.00 C ATOM 1378 CG LYS A 85 -1.312 -2.068 9.336 1.00 0.00 C ATOM 1379 CD LYS A 85 -0.117 -2.304 10.272 1.00 0.00 C ATOM 1380 CE LYS A 85 1.050 -1.325 10.071 1.00 0.00 C ATOM 1381 NZ LYS A 85 1.825 -1.624 8.840 1.00 0.00 N ATOM 0 H LYS A 85 -3.534 1.166 9.871 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.702 -0.339 7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.317 0.073 9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.458 -0.780 10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.016 -2.894 9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.966 -2.066 8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.460 -2.234 11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.248 -3.321 10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.663 -0.307 10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.712 -1.369 10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.773 -1.202 8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.912 -2.654 8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.333 -1.225 8.015 1.00 0.00 H new ATOM 1395 N ALA A 86 -5.048 -1.807 9.442 1.00 0.00 N ATOM 1396 CA ALA A 86 -6.091 -2.825 9.351 1.00 0.00 C ATOM 1397 C ALA A 86 -6.973 -2.616 8.108 1.00 0.00 C ATOM 1398 O ALA A 86 -7.343 -3.591 7.467 1.00 0.00 O ATOM 1399 CB ALA A 86 -6.901 -2.875 10.652 1.00 0.00 C ATOM 0 H ALA A 86 -5.093 -1.240 10.289 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.619 -3.800 9.226 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.675 -3.638 10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.239 -3.117 11.484 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.366 -1.905 10.829 1.00 0.00 H new ATOM 1405 N GLU A 87 -7.257 -1.373 7.702 1.00 0.00 N ATOM 1406 CA GLU A 87 -7.968 -1.085 6.443 1.00 0.00 C ATOM 1407 C GLU A 87 -7.156 -1.471 5.197 1.00 0.00 C ATOM 1408 O GLU A 87 -7.681 -2.166 4.327 1.00 0.00 O ATOM 1409 CB GLU A 87 -8.441 0.377 6.367 1.00 0.00 C ATOM 1410 CG GLU A 87 -9.606 0.610 7.335 1.00 0.00 C ATOM 1411 CD GLU A 87 -10.375 1.909 7.016 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -11.245 1.893 6.112 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -10.134 2.951 7.677 1.00 0.00 O ATOM 0 H GLU A 87 -7.003 -0.539 8.232 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.854 -1.720 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.616 1.046 6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.752 0.613 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.291 -0.237 7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.225 0.656 8.355 1.00 0.00 H new ATOM 1420 N ALA A 88 -5.869 -1.110 5.131 1.00 0.00 N ATOM 1421 CA ALA A 88 -4.947 -1.576 4.087 1.00 0.00 C ATOM 1422 C ALA A 88 -4.935 -3.111 3.974 1.00 0.00 C ATOM 1423 O ALA A 88 -5.021 -3.682 2.889 1.00 0.00 O ATOM 1424 CB ALA A 88 -3.543 -1.042 4.405 1.00 0.00 C ATOM 0 H ALA A 88 -5.434 -0.481 5.806 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.283 -1.196 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.844 -1.378 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.564 0.048 4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.223 -1.416 5.378 1.00 0.00 H new ATOM 1430 N THR A 89 -4.867 -3.785 5.118 1.00 0.00 N ATOM 1431 CA THR A 89 -4.875 -5.253 5.230 1.00 0.00 C ATOM 1432 C THR A 89 -6.252 -5.885 4.933 1.00 0.00 C ATOM 1433 O THR A 89 -6.322 -6.984 4.382 1.00 0.00 O ATOM 1434 CB THR A 89 -4.304 -5.638 6.602 1.00 0.00 C ATOM 1435 OG1 THR A 89 -2.987 -5.112 6.699 1.00 0.00 O ATOM 1436 CG2 THR A 89 -4.196 -7.146 6.823 1.00 0.00 C ATOM 0 H THR A 89 -4.803 -3.318 6.023 1.00 0.00 H new ATOM 0 HA THR A 89 -4.236 -5.672 4.453 1.00 0.00 H new ATOM 0 HB THR A 89 -4.989 -5.237 7.348 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.029 -4.178 6.993 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.785 -7.340 7.814 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.185 -7.597 6.746 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.541 -7.579 6.067 1.00 0.00 H new ATOM 1444 N ARG A 90 -7.369 -5.192 5.194 1.00 0.00 N ATOM 1445 CA ARG A 90 -8.723 -5.589 4.749 1.00 0.00 C ATOM 1446 C ARG A 90 -8.892 -5.510 3.230 1.00 0.00 C ATOM 1447 O ARG A 90 -9.569 -6.361 2.659 1.00 0.00 O ATOM 1448 CB ARG A 90 -9.796 -4.762 5.476 1.00 0.00 C ATOM 1449 CG ARG A 90 -9.990 -5.247 6.922 1.00 0.00 C ATOM 1450 CD ARG A 90 -10.715 -4.193 7.768 1.00 0.00 C ATOM 1451 NE ARG A 90 -10.809 -4.609 9.181 1.00 0.00 N ATOM 1452 CZ ARG A 90 -11.201 -3.863 10.199 1.00 0.00 C ATOM 1453 NH1 ARG A 90 -11.594 -2.629 10.046 1.00 0.00 N ATOM 1454 NH2 ARG A 90 -11.204 -4.348 11.408 1.00 0.00 N ATOM 0 H ARG A 90 -7.363 -4.324 5.729 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.854 -6.638 5.017 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.508 -3.711 5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.740 -4.833 4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.562 -6.175 6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.020 -5.470 7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.185 -3.243 7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.716 -4.028 7.368 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.544 -5.571 9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.606 -2.209 9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.890 -2.084 10.856 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.903 -5.308 11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.508 -3.767 12.190 1.00 0.00 H new ATOM 1468 N LEU A 91 -8.227 -4.582 2.539 1.00 0.00 N ATOM 1469 CA LEU A 91 -8.139 -4.649 1.069 1.00 0.00 C ATOM 1470 C LEU A 91 -7.364 -5.882 0.587 1.00 0.00 C ATOM 1471 O LEU A 91 -7.689 -6.445 -0.456 1.00 0.00 O ATOM 1472 CB LEU A 91 -7.422 -3.443 0.486 1.00 0.00 C ATOM 1473 CG LEU A 91 -7.934 -2.055 0.796 1.00 0.00 C ATOM 1474 CD1 LEU A 91 -7.086 -1.087 0.014 1.00 0.00 C ATOM 1475 CD2 LEU A 91 -9.397 -1.867 0.422 1.00 0.00 C ATOM 0 H LEU A 91 -7.747 -3.786 2.959 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.175 -4.689 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.384 -3.490 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.419 -3.556 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.868 -1.887 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.422 -0.069 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.044 -1.189 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.177 -1.302 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.708 -0.852 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.524 -2.037 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.009 -2.578 0.977 1.00 0.00 H new ATOM 1487 N GLU A 92 -6.349 -6.316 1.339 1.00 0.00 N ATOM 1488 CA GLU A 92 -5.626 -7.570 1.071 1.00 0.00 C ATOM 1489 C GLU A 92 -6.571 -8.783 1.049 1.00 0.00 C ATOM 1490 O GLU A 92 -6.361 -9.736 0.291 1.00 0.00 O ATOM 1491 CB GLU A 92 -4.478 -7.773 2.077 1.00 0.00 C ATOM 1492 CG GLU A 92 -3.136 -7.928 1.367 1.00 0.00 C ATOM 1493 CD GLU A 92 -2.021 -8.316 2.357 1.00 0.00 C ATOM 1494 OE1 GLU A 92 -1.821 -9.531 2.603 1.00 0.00 O ATOM 1495 OE2 GLU A 92 -1.328 -7.414 2.886 1.00 0.00 O ATOM 0 H GLU A 92 -6.002 -5.809 2.153 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.189 -7.487 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.435 -6.923 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.675 -8.658 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.218 -8.690 0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.875 -6.994 0.870 1.00 0.00 H new ATOM 1502 N LYS A 93 -7.665 -8.713 1.819 1.00 0.00 N ATOM 1503 CA LYS A 93 -8.759 -9.690 1.741 1.00 0.00 C ATOM 1504 C LYS A 93 -9.533 -9.545 0.429 1.00 0.00 C ATOM 1505 O LYS A 93 -9.803 -10.541 -0.232 1.00 0.00 O ATOM 1506 CB LYS A 93 -9.702 -9.575 2.947 1.00 0.00 C ATOM 1507 CG LYS A 93 -8.987 -9.659 4.306 1.00 0.00 C ATOM 1508 CD LYS A 93 -9.959 -9.519 5.486 1.00 0.00 C ATOM 1509 CE LYS A 93 -10.878 -10.741 5.626 1.00 0.00 C ATOM 1510 NZ LYS A 93 -11.766 -10.628 6.813 1.00 0.00 N ATOM 0 H LYS A 93 -7.816 -7.980 2.512 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.312 -10.684 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -10.239 -8.628 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.448 -10.368 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.464 -10.612 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.232 -8.875 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.393 -9.385 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.566 -8.623 5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -11.485 -10.845 4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -10.273 -11.644 5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.372 -11.471 6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.187 -10.554 7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.361 -9.780 6.722 1.00 0.00 H new ATOM 1524 N ILE A 94 -9.854 -8.315 0.022 1.00 0.00 N ATOM 1525 CA ILE A 94 -10.571 -7.999 -1.231 1.00 0.00 C ATOM 1526 C ILE A 94 -9.819 -8.436 -2.487 1.00 0.00 C ATOM 1527 O ILE A 94 -10.464 -9.005 -3.362 1.00 0.00 O ATOM 1528 CB ILE A 94 -11.028 -6.524 -1.295 1.00 0.00 C ATOM 1529 CG1 ILE A 94 -11.990 -6.216 -0.126 1.00 0.00 C ATOM 1530 CG2 ILE A 94 -11.698 -6.171 -2.637 1.00 0.00 C ATOM 1531 CD1 ILE A 94 -13.425 -6.754 -0.245 1.00 0.00 C ATOM 0 H ILE A 94 -9.619 -7.484 0.564 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.478 -8.604 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.134 -5.907 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -11.552 -6.617 0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -12.042 -5.134 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -12.000 -5.124 -2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -10.993 -6.339 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.576 -6.800 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -13.995 -6.469 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -13.898 -6.334 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.401 -7.841 -0.326 1.00 0.00 H new ATOM 1543 N LYS A 95 -8.493 -8.263 -2.606 1.00 0.00 N ATOM 1544 CA LYS A 95 -7.757 -8.835 -3.759 1.00 0.00 C ATOM 1545 C LYS A 95 -7.848 -10.366 -3.818 1.00 0.00 C ATOM 1546 O LYS A 95 -7.990 -10.933 -4.900 1.00 0.00 O ATOM 1547 CB LYS A 95 -6.308 -8.327 -3.856 1.00 0.00 C ATOM 1548 CG LYS A 95 -5.351 -8.817 -2.758 1.00 0.00 C ATOM 1549 CD LYS A 95 -3.877 -8.489 -3.048 1.00 0.00 C ATOM 1550 CE LYS A 95 -3.313 -9.373 -4.171 1.00 0.00 C ATOM 1551 NZ LYS A 95 -1.848 -9.182 -4.343 1.00 0.00 N ATOM 0 H LYS A 95 -7.916 -7.747 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.265 -8.464 -4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.903 -8.624 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.323 -7.237 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.637 -8.365 -1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.461 -9.895 -2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.785 -7.440 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.287 -8.629 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.519 -10.420 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.822 -9.141 -5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.506 -9.796 -5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.653 -8.189 -4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.360 -9.428 -3.458 1.00 0.00 H new ATOM 1565 N THR A 96 -7.819 -11.030 -2.661 1.00 0.00 N ATOM 1566 CA THR A 96 -7.969 -12.492 -2.544 1.00 0.00 C ATOM 1567 C THR A 96 -9.390 -12.934 -2.907 1.00 0.00 C ATOM 1568 O THR A 96 -9.567 -13.865 -3.691 1.00 0.00 O ATOM 1569 CB THR A 96 -7.603 -12.981 -1.130 1.00 0.00 C ATOM 1570 OG1 THR A 96 -6.322 -12.508 -0.769 1.00 0.00 O ATOM 1571 CG2 THR A 96 -7.544 -14.507 -1.040 1.00 0.00 C ATOM 0 H THR A 96 -7.689 -10.565 -1.762 1.00 0.00 H new ATOM 0 HA THR A 96 -7.276 -12.946 -3.253 1.00 0.00 H new ATOM 0 HB THR A 96 -8.381 -12.602 -0.467 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.397 -11.598 -0.414 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.282 -14.802 -0.024 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.517 -14.925 -1.300 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.791 -14.883 -1.732 1.00 0.00 H new ATOM 1579 N ASP A 97 -10.405 -12.243 -2.382 1.00 0.00 N ATOM 1580 CA ASP A 97 -11.823 -12.495 -2.668 1.00 0.00 C ATOM 1581 C ASP A 97 -12.158 -12.234 -4.144 1.00 0.00 C ATOM 1582 O ASP A 97 -12.834 -13.048 -4.775 1.00 0.00 O ATOM 1583 CB ASP A 97 -12.711 -11.658 -1.740 1.00 0.00 C ATOM 1584 CG ASP A 97 -14.201 -11.985 -1.944 1.00 0.00 C ATOM 1585 OD1 ASP A 97 -14.594 -13.161 -1.749 1.00 0.00 O ATOM 1586 OD2 ASP A 97 -14.982 -11.070 -2.295 1.00 0.00 O ATOM 0 H ASP A 97 -10.262 -11.473 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.023 -13.549 -2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.434 -11.846 -0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.540 -10.598 -1.929 1.00 0.00 H new ATOM 1591 N ARG A 98 -11.615 -11.154 -4.725 1.00 0.00 N ATOM 1592 CA ARG A 98 -11.605 -10.950 -6.186 1.00 0.00 C ATOM 1593 C ARG A 98 -11.021 -12.150 -6.930 1.00 0.00 C ATOM 1594 O ARG A 98 -11.711 -12.709 -7.778 1.00 0.00 O ATOM 1595 CB ARG A 98 -10.855 -9.670 -6.596 1.00 0.00 C ATOM 1596 CG ARG A 98 -11.804 -8.482 -6.831 1.00 0.00 C ATOM 1597 CD ARG A 98 -11.120 -7.355 -7.617 1.00 0.00 C ATOM 1598 NE ARG A 98 -10.699 -7.808 -8.958 1.00 0.00 N ATOM 1599 CZ ARG A 98 -10.105 -7.114 -9.903 1.00 0.00 C ATOM 1600 NH1 ARG A 98 -9.900 -5.828 -9.817 1.00 0.00 N ATOM 1601 NH2 ARG A 98 -9.702 -7.750 -10.960 1.00 0.00 N ATOM 0 H ARG A 98 -11.172 -10.399 -4.201 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.651 -10.838 -6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.136 -9.409 -5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.286 -9.862 -7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.685 -8.822 -7.375 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.151 -8.098 -5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.804 -6.512 -7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.252 -6.999 -7.063 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.894 -8.784 -9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.206 -5.317 -8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.434 -5.334 -10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.850 -8.756 -11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.237 -7.244 -11.714 1.00 0.00 H new ATOM 1615 N LYS A 99 -9.788 -12.566 -6.609 1.00 0.00 N ATOM 1616 CA LYS A 99 -9.064 -13.654 -7.298 1.00 0.00 C ATOM 1617 C LYS A 99 -9.892 -14.941 -7.410 1.00 0.00 C ATOM 1618 O LYS A 99 -10.047 -15.464 -8.513 1.00 0.00 O ATOM 1619 CB LYS A 99 -7.702 -13.886 -6.617 1.00 0.00 C ATOM 1620 CG LYS A 99 -6.823 -14.878 -7.399 1.00 0.00 C ATOM 1621 CD LYS A 99 -5.423 -15.054 -6.788 1.00 0.00 C ATOM 1622 CE LYS A 99 -5.470 -15.723 -5.406 1.00 0.00 C ATOM 1623 NZ LYS A 99 -4.104 -15.971 -4.874 1.00 0.00 N ATOM 0 H LYS A 99 -9.251 -12.150 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.885 -13.342 -8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.178 -12.935 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -7.862 -14.263 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.322 -15.847 -7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.723 -14.533 -8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.809 -15.654 -7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.942 -14.080 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.022 -15.089 -4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.011 -16.666 -5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.172 -16.423 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.586 -16.596 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.597 -15.067 -4.785 1.00 0.00 H new ATOM 1637 N LYS A 100 -10.458 -15.431 -6.299 1.00 0.00 N ATOM 1638 CA LYS A 100 -11.369 -16.599 -6.289 1.00 0.00 C ATOM 1639 C LYS A 100 -12.710 -16.365 -7.000 1.00 0.00 C ATOM 1640 O LYS A 100 -13.238 -17.299 -7.601 1.00 0.00 O ATOM 1641 CB LYS A 100 -11.535 -17.197 -4.874 1.00 0.00 C ATOM 1642 CG LYS A 100 -11.813 -16.212 -3.722 1.00 0.00 C ATOM 1643 CD LYS A 100 -13.169 -16.350 -3.014 1.00 0.00 C ATOM 1644 CE LYS A 100 -14.338 -15.878 -3.888 1.00 0.00 C ATOM 1645 NZ LYS A 100 -15.497 -15.466 -3.058 1.00 0.00 N ATOM 0 H LYS A 100 -10.300 -15.031 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.871 -17.354 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -12.351 -17.919 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.628 -17.752 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.026 -16.328 -2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.734 -15.198 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.325 -17.392 -2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.154 -15.772 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.017 -15.042 -4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.638 -16.680 -4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.284 -15.184 -3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.795 -16.262 -2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.225 -14.663 -2.456 1.00 0.00 H new ATOM 1812 N GLU A 111 -6.516 -24.947 -22.286 1.00 0.00 N ATOM 1813 CA GLU A 111 -5.957 -23.618 -22.573 1.00 0.00 C ATOM 1814 C GLU A 111 -4.679 -23.624 -23.444 1.00 0.00 C ATOM 1815 O GLU A 111 -4.226 -22.559 -23.862 1.00 0.00 O ATOM 1816 CB GLU A 111 -5.704 -22.870 -21.245 1.00 0.00 C ATOM 1817 CG GLU A 111 -4.686 -23.527 -20.286 1.00 0.00 C ATOM 1818 CD GLU A 111 -5.301 -24.442 -19.210 1.00 0.00 C ATOM 1819 OE1 GLU A 111 -6.354 -25.075 -19.466 1.00 0.00 O ATOM 1820 OE2 GLU A 111 -4.704 -24.538 -18.109 1.00 0.00 O ATOM 0 HA GLU A 111 -6.703 -23.099 -23.175 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -5.358 -21.863 -21.477 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -6.654 -22.767 -20.721 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.978 -24.110 -20.876 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.117 -22.741 -19.790 1.00 0.00 H new ATOM 1827 N GLU A 112 -4.074 -24.798 -23.683 1.00 0.00 N ATOM 1828 CA GLU A 112 -2.757 -25.042 -24.316 1.00 0.00 C ATOM 1829 C GLU A 112 -1.563 -24.523 -23.490 1.00 0.00 C ATOM 1830 O GLU A 112 -0.536 -25.192 -23.390 1.00 0.00 O ATOM 1831 CB GLU A 112 -2.743 -24.550 -25.777 1.00 0.00 C ATOM 1832 CG GLU A 112 -1.541 -25.084 -26.568 1.00 0.00 C ATOM 1833 CD GLU A 112 -1.628 -24.669 -28.049 1.00 0.00 C ATOM 1834 OE1 GLU A 112 -1.136 -23.571 -28.409 1.00 0.00 O ATOM 1835 OE2 GLU A 112 -2.181 -25.442 -28.871 1.00 0.00 O ATOM 0 H GLU A 112 -4.524 -25.675 -23.420 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.618 -26.123 -24.336 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.664 -24.860 -26.270 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.726 -23.460 -25.789 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -0.617 -24.703 -26.133 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -1.505 -26.171 -26.492 1.00 0.00 H new ATOM 1842 N ASP A 113 -1.730 -23.388 -22.810 1.00 0.00 N ATOM 1843 CA ASP A 113 -0.785 -22.755 -21.881 1.00 0.00 C ATOM 1844 C ASP A 113 -0.236 -23.708 -20.801 1.00 0.00 C ATOM 1845 O ASP A 113 0.908 -23.568 -20.364 1.00 0.00 O ATOM 1846 CB ASP A 113 -1.502 -21.568 -21.227 1.00 0.00 C ATOM 1847 CG ASP A 113 -0.507 -20.584 -20.600 1.00 0.00 C ATOM 1848 OD1 ASP A 113 0.052 -19.733 -21.331 1.00 0.00 O ATOM 1849 OD2 ASP A 113 -0.288 -20.665 -19.368 1.00 0.00 O ATOM 0 H ASP A 113 -2.590 -22.846 -22.898 1.00 0.00 H new ATOM 0 HA ASP A 113 0.087 -22.437 -22.452 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.105 -21.051 -21.973 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.186 -21.933 -20.461 1.00 0.00 H new ATOM 1854 N LYS A 114 -1.031 -24.719 -20.418 1.00 0.00 N ATOM 1855 CA LYS A 114 -0.661 -25.835 -19.533 1.00 0.00 C ATOM 1856 C LYS A 114 0.615 -26.585 -19.941 1.00 0.00 C ATOM 1857 O LYS A 114 1.227 -27.229 -19.093 1.00 0.00 O ATOM 1858 CB LYS A 114 -1.857 -26.798 -19.400 1.00 0.00 C ATOM 1859 CG LYS A 114 -2.209 -27.549 -20.699 1.00 0.00 C ATOM 1860 CD LYS A 114 -3.323 -28.581 -20.474 1.00 0.00 C ATOM 1861 CE LYS A 114 -3.539 -29.401 -21.754 1.00 0.00 C ATOM 1862 NZ LYS A 114 -4.518 -30.501 -21.550 1.00 0.00 N ATOM 0 H LYS A 114 -1.999 -24.784 -20.733 1.00 0.00 H new ATOM 0 HA LYS A 114 -0.418 -25.395 -18.566 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.637 -27.527 -18.620 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.730 -26.233 -19.072 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.524 -26.834 -21.459 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.320 -28.051 -21.082 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.058 -29.242 -19.648 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.248 -28.076 -20.194 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.891 -28.745 -22.550 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.587 -29.819 -22.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.635 -31.030 -22.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.171 -31.142 -20.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.434 -30.102 -21.261 1.00 0.00 H new ATOM 1876 N VAL A 115 1.046 -26.499 -21.203 1.00 0.00 N ATOM 1877 CA VAL A 115 2.263 -27.156 -21.724 1.00 0.00 C ATOM 1878 C VAL A 115 3.537 -26.822 -20.931 1.00 0.00 C ATOM 1879 O VAL A 115 4.426 -27.665 -20.810 1.00 0.00 O ATOM 1880 CB VAL A 115 2.427 -26.872 -23.232 1.00 0.00 C ATOM 1881 CG1 VAL A 115 2.822 -25.420 -23.540 1.00 0.00 C ATOM 1882 CG2 VAL A 115 3.441 -27.813 -23.891 1.00 0.00 C ATOM 0 H VAL A 115 0.551 -25.959 -21.913 1.00 0.00 H new ATOM 0 HA VAL A 115 2.122 -28.228 -21.586 1.00 0.00 H new ATOM 0 HB VAL A 115 1.438 -27.051 -23.654 1.00 0.00 H new ATOM 0 HG11 VAL A 115 2.920 -25.290 -24.618 1.00 0.00 H new ATOM 0 HG12 VAL A 115 2.053 -24.746 -23.162 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.773 -25.192 -23.059 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.522 -27.575 -24.952 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.414 -27.690 -23.416 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.109 -28.845 -23.775 1.00 0.00 H new ATOM 1892 N LYS A 116 3.622 -25.622 -20.335 1.00 0.00 N ATOM 1893 CA LYS A 116 4.736 -25.196 -19.474 1.00 0.00 C ATOM 1894 C LYS A 116 4.817 -25.978 -18.148 1.00 0.00 C ATOM 1895 O LYS A 116 5.891 -26.099 -17.560 1.00 0.00 O ATOM 1896 CB LYS A 116 4.621 -23.674 -19.266 1.00 0.00 C ATOM 1897 CG LYS A 116 3.527 -23.283 -18.262 1.00 0.00 C ATOM 1898 CD LYS A 116 3.242 -21.777 -18.248 1.00 0.00 C ATOM 1899 CE LYS A 116 2.335 -21.373 -17.076 1.00 0.00 C ATOM 1900 NZ LYS A 116 0.945 -21.877 -17.218 1.00 0.00 N ATOM 0 H LYS A 116 2.903 -24.906 -20.441 1.00 0.00 H new ATOM 0 HA LYS A 116 5.679 -25.427 -19.970 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.579 -23.288 -18.919 1.00 0.00 H new ATOM 0 HB3 LYS A 116 4.413 -23.197 -20.224 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.610 -23.819 -18.505 1.00 0.00 H new ATOM 0 HG3 LYS A 116 3.827 -23.600 -17.263 1.00 0.00 H new ATOM 0 HD2 LYS A 116 4.183 -21.231 -18.183 1.00 0.00 H new ATOM 0 HD3 LYS A 116 2.770 -21.489 -19.187 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.760 -21.753 -16.147 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.315 -20.286 -16.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.331 -21.400 -16.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 0.602 -21.682 -18.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 0.928 -22.902 -17.046 1.00 0.00 H new ATOM 1914 N GLU A 117 3.680 -26.499 -17.681 1.00 0.00 N ATOM 1915 CA GLU A 117 3.513 -27.280 -16.444 1.00 0.00 C ATOM 1916 C GLU A 117 3.532 -28.793 -16.722 1.00 0.00 C ATOM 1917 O GLU A 117 4.152 -29.556 -15.977 1.00 0.00 O ATOM 1918 CB GLU A 117 2.173 -26.897 -15.786 1.00 0.00 C ATOM 1919 CG GLU A 117 2.150 -25.448 -15.282 1.00 0.00 C ATOM 1920 CD GLU A 117 0.718 -24.914 -15.153 1.00 0.00 C ATOM 1921 OE1 GLU A 117 0.174 -24.352 -16.136 1.00 0.00 O ATOM 1922 OE2 GLU A 117 0.128 -24.988 -14.053 1.00 0.00 O ATOM 0 H GLU A 117 2.799 -26.383 -18.181 1.00 0.00 H new ATOM 0 HA GLU A 117 4.346 -27.051 -15.779 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.367 -27.039 -16.505 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.978 -27.570 -14.951 1.00 0.00 H new ATOM 0 HG2 GLU A 117 2.648 -25.392 -14.314 1.00 0.00 H new ATOM 0 HG3 GLU A 117 2.714 -24.815 -15.968 1.00 0.00 H new ATOM 1929 N LYS A 118 2.854 -29.220 -17.798 1.00 0.00 N ATOM 1930 CA LYS A 118 2.673 -30.616 -18.231 1.00 0.00 C ATOM 1931 C LYS A 118 3.098 -30.797 -19.707 1.00 0.00 C ATOM 1932 O LYS A 118 2.229 -30.876 -20.584 1.00 0.00 O ATOM 1933 CB LYS A 118 1.210 -31.048 -17.978 1.00 0.00 C ATOM 1934 CG LYS A 118 0.751 -31.004 -16.508 1.00 0.00 C ATOM 1935 CD LYS A 118 1.506 -31.987 -15.600 1.00 0.00 C ATOM 1936 CE LYS A 118 0.944 -31.920 -14.175 1.00 0.00 C ATOM 1937 NZ LYS A 118 1.657 -32.852 -13.262 1.00 0.00 N ATOM 0 H LYS A 118 2.390 -28.563 -18.426 1.00 0.00 H new ATOM 0 HA LYS A 118 3.321 -31.267 -17.644 1.00 0.00 H new ATOM 0 HB2 LYS A 118 0.553 -30.406 -18.565 1.00 0.00 H new ATOM 0 HB3 LYS A 118 1.080 -32.064 -18.351 1.00 0.00 H new ATOM 0 HG2 LYS A 118 0.884 -29.992 -16.124 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -0.315 -31.225 -16.462 1.00 0.00 H new ATOM 0 HD2 LYS A 118 1.412 -33.001 -15.990 1.00 0.00 H new ATOM 0 HD3 LYS A 118 2.569 -31.745 -15.593 1.00 0.00 H new ATOM 0 HE2 LYS A 118 1.030 -30.901 -13.797 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -0.118 -32.165 -14.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 1.251 -32.781 -12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 1.553 -33.826 -13.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 2.666 -32.602 -13.229 1.00 0.00 H new