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= -1.29 K(o=-1.4,f=-2.2!) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= 1.21 (180deg=1.08) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -166:sc= 1.28 (180deg=1.21) USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= 1.26 (180deg=0.981) USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= 2.38 (180deg=1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.586 K(o=0.59,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 1.29 (180deg=1.17) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.682 K(o=0.68,f=-0.13) 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+ 175:sc= 1.21 (180deg=1.07) USER MOD Single : A 41 THR OG1 : rot 23:sc= 0.0468 USER MOD Single : A 49 SER OG : rot -77:sc= 0.91 USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 1.11 (180deg=1) USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= 1.2 (180deg=0.685) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0.664 K(o=0.66,f=-0.13) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0.953 (180deg=0.868) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= 1.33 (180deg=1.16) USER MOD Single : A 83 SER OG : rot 79:sc= 0.121 USER MOD Single : A 84 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0.846) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 87:sc= 0.0133 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 155:sc= 1.23 (180deg=0.868) USER MOD Single : A 96 THR OG1 : rot 77:sc= 1.05 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 152:sc= 2.21 (180deg=0.61) USER MOD Single : A 116 LYS NZ :NH3+ 150:sc= 1.12 (180deg=0.376) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 5 12.563 15.277 15.991 1.00 0.00 N ATOM 56 CA PRO A 5 11.305 15.084 15.269 1.00 0.00 C ATOM 57 C PRO A 5 11.359 15.684 13.868 1.00 0.00 C ATOM 58 O PRO A 5 10.930 15.042 12.919 1.00 0.00 O ATOM 59 CB PRO A 5 10.213 15.732 16.120 1.00 0.00 C ATOM 60 CG PRO A 5 10.965 16.793 16.909 1.00 0.00 C ATOM 61 CD PRO A 5 12.314 16.122 17.160 1.00 0.00 C ATOM 0 HA PRO A 5 11.103 14.023 15.122 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.429 16.171 15.502 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.733 15.007 16.777 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.071 17.720 16.345 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.456 17.043 17.840 1.00 0.00 H new ATOM 0 HD2 PRO A 5 13.103 16.864 17.281 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.291 15.528 18.074 1.00 0.00 H new ATOM 69 N GLU A 6 11.943 16.878 13.717 1.00 0.00 N ATOM 70 CA GLU A 6 12.159 17.551 12.436 1.00 0.00 C ATOM 71 C GLU A 6 12.925 16.666 11.441 1.00 0.00 C ATOM 72 O GLU A 6 12.560 16.532 10.274 1.00 0.00 O ATOM 73 CB GLU A 6 12.897 18.863 12.705 1.00 0.00 C ATOM 74 CG GLU A 6 12.706 19.821 11.545 1.00 0.00 C ATOM 75 CD GLU A 6 13.480 21.140 11.737 1.00 0.00 C ATOM 76 OE1 GLU A 6 14.726 21.142 11.584 1.00 0.00 O ATOM 77 OE2 GLU A 6 12.844 22.189 12.005 1.00 0.00 O ATOM 0 H GLU A 6 12.289 17.418 14.510 1.00 0.00 H new ATOM 0 HA GLU A 6 11.196 17.757 11.969 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.525 19.315 13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.959 18.667 12.853 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.035 19.341 10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.644 20.040 11.429 1.00 0.00 H new ATOM 84 N LYS A 7 13.978 16.017 11.942 1.00 0.00 N ATOM 85 CA LYS A 7 14.865 15.119 11.193 1.00 0.00 C ATOM 86 C LYS A 7 14.128 13.857 10.759 1.00 0.00 C ATOM 87 O LYS A 7 14.188 13.478 9.589 1.00 0.00 O ATOM 88 CB LYS A 7 16.119 14.810 12.029 1.00 0.00 C ATOM 89 CG LYS A 7 16.702 16.027 12.769 1.00 0.00 C ATOM 90 CD LYS A 7 17.012 17.193 11.844 1.00 0.00 C ATOM 91 CE LYS A 7 18.209 16.809 10.980 1.00 0.00 C ATOM 92 NZ LYS A 7 18.834 17.989 10.327 1.00 0.00 N ATOM 0 H LYS A 7 14.249 16.105 12.921 1.00 0.00 H new ATOM 0 HA LYS A 7 15.189 15.615 10.278 1.00 0.00 H new ATOM 0 HB2 LYS A 7 15.874 14.039 12.759 1.00 0.00 H new ATOM 0 HB3 LYS A 7 16.886 14.396 11.374 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.996 16.354 13.532 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.614 15.728 13.286 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.149 17.422 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.233 18.090 12.423 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.951 16.302 11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.890 16.100 10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.642 17.679 9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.135 18.460 9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.163 18.655 11.055 1.00 0.00 H new ATOM 106 N LYS A 8 13.369 13.259 11.683 1.00 0.00 N ATOM 107 CA LYS A 8 12.502 12.109 11.425 1.00 0.00 C ATOM 108 C LYS A 8 11.393 12.404 10.420 1.00 0.00 C ATOM 109 O LYS A 8 11.196 11.594 9.515 1.00 0.00 O ATOM 110 CB LYS A 8 11.906 11.589 12.739 1.00 0.00 C ATOM 111 CG LYS A 8 12.886 10.779 13.609 1.00 0.00 C ATOM 112 CD LYS A 8 13.566 9.594 12.897 1.00 0.00 C ATOM 113 CE LYS A 8 12.595 8.774 12.033 1.00 0.00 C ATOM 114 NZ LYS A 8 13.275 7.605 11.419 1.00 0.00 N ATOM 0 H LYS A 8 13.341 13.570 12.654 1.00 0.00 H new ATOM 0 HA LYS A 8 13.130 11.340 10.976 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.541 12.437 13.318 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.042 10.965 12.510 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.659 11.452 13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.348 10.400 14.478 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.374 9.970 12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.020 8.941 13.643 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.760 8.432 12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.178 9.407 11.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.668 7.201 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.177 7.909 11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.456 6.886 12.148 1.00 0.00 H new ATOM 128 N VAL A 9 10.679 13.531 10.534 1.00 0.00 N ATOM 129 CA VAL A 9 9.629 13.850 9.559 1.00 0.00 C ATOM 130 C VAL A 9 10.213 14.112 8.175 1.00 0.00 C ATOM 131 O VAL A 9 9.636 13.692 7.182 1.00 0.00 O ATOM 132 CB VAL A 9 8.727 15.020 9.960 1.00 0.00 C ATOM 133 CG1 VAL A 9 7.876 14.660 11.176 1.00 0.00 C ATOM 134 CG2 VAL A 9 9.382 16.379 10.191 1.00 0.00 C ATOM 0 H VAL A 9 10.804 14.223 11.273 1.00 0.00 H new ATOM 0 HA VAL A 9 8.999 12.961 9.536 1.00 0.00 H new ATOM 0 HB VAL A 9 8.124 15.163 9.063 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.244 15.507 11.441 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.250 13.800 10.940 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.526 14.416 12.016 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.620 17.108 10.468 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.115 16.298 10.993 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.879 16.704 9.277 1.00 0.00 H new ATOM 144 N ALA A 10 11.369 14.769 8.108 1.00 0.00 N ATOM 145 CA ALA A 10 12.078 15.066 6.862 1.00 0.00 C ATOM 146 C ALA A 10 12.539 13.788 6.137 1.00 0.00 C ATOM 147 O ALA A 10 12.221 13.591 4.963 1.00 0.00 O ATOM 148 CB ALA A 10 13.250 16.010 7.156 1.00 0.00 C ATOM 0 H ALA A 10 11.851 15.118 8.936 1.00 0.00 H new ATOM 0 HA ALA A 10 11.388 15.563 6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.779 16.232 6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.872 16.936 7.589 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.933 15.534 7.859 1.00 0.00 H new ATOM 154 N GLU A 11 13.262 12.891 6.816 1.00 0.00 N ATOM 155 CA GLU A 11 13.717 11.634 6.211 1.00 0.00 C ATOM 156 C GLU A 11 12.583 10.645 5.875 1.00 0.00 C ATOM 157 O GLU A 11 12.755 9.799 4.995 1.00 0.00 O ATOM 158 CB GLU A 11 14.820 10.993 7.066 1.00 0.00 C ATOM 159 CG GLU A 11 14.307 10.296 8.333 1.00 0.00 C ATOM 160 CD GLU A 11 15.439 9.706 9.198 1.00 0.00 C ATOM 161 OE1 GLU A 11 16.506 10.342 9.373 1.00 0.00 O ATOM 162 OE2 GLU A 11 15.243 8.592 9.741 1.00 0.00 O ATOM 0 H GLU A 11 13.546 13.013 7.788 1.00 0.00 H new ATOM 0 HA GLU A 11 14.140 11.895 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.360 10.267 6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.536 11.763 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.737 11.010 8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.621 9.498 8.049 1.00 0.00 H new ATOM 169 N ALA A 12 11.415 10.752 6.524 1.00 0.00 N ATOM 170 CA ALA A 12 10.266 9.889 6.235 1.00 0.00 C ATOM 171 C ALA A 12 9.167 10.528 5.355 1.00 0.00 C ATOM 172 O ALA A 12 8.416 9.818 4.689 1.00 0.00 O ATOM 173 CB ALA A 12 9.798 9.256 7.549 1.00 0.00 C ATOM 0 H ALA A 12 11.243 11.437 7.260 1.00 0.00 H new ATOM 0 HA ALA A 12 10.584 9.085 5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.942 8.609 7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.609 8.667 7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.509 10.041 8.248 1.00 0.00 H new ATOM 179 N GLU A 13 9.159 11.847 5.181 1.00 0.00 N ATOM 180 CA GLU A 13 8.549 12.515 4.021 1.00 0.00 C ATOM 181 C GLU A 13 9.177 12.017 2.710 1.00 0.00 C ATOM 182 O GLU A 13 8.495 11.817 1.708 1.00 0.00 O ATOM 183 CB GLU A 13 8.724 14.035 4.186 1.00 0.00 C ATOM 184 CG GLU A 13 8.391 14.829 2.921 1.00 0.00 C ATOM 185 CD GLU A 13 8.431 16.346 3.192 1.00 0.00 C ATOM 186 OE1 GLU A 13 9.507 16.970 3.027 1.00 0.00 O ATOM 187 OE2 GLU A 13 7.381 16.929 3.559 1.00 0.00 O ATOM 0 H GLU A 13 9.580 12.495 5.847 1.00 0.00 H new ATOM 0 HA GLU A 13 7.486 12.277 3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.086 14.380 5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.753 14.245 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.101 14.578 2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.402 14.547 2.560 1.00 0.00 H new ATOM 194 N LYS A 14 10.486 11.762 2.741 1.00 0.00 N ATOM 195 CA LYS A 14 11.288 11.249 1.623 1.00 0.00 C ATOM 196 C LYS A 14 10.934 9.803 1.300 1.00 0.00 C ATOM 197 O LYS A 14 10.838 9.417 0.138 1.00 0.00 O ATOM 198 CB LYS A 14 12.765 11.413 1.995 1.00 0.00 C ATOM 199 CG LYS A 14 13.199 12.850 1.681 1.00 0.00 C ATOM 200 CD LYS A 14 14.607 13.160 2.208 1.00 0.00 C ATOM 201 CE LYS A 14 14.906 14.665 2.186 1.00 0.00 C ATOM 202 NZ LYS A 14 15.009 15.208 0.804 1.00 0.00 N ATOM 0 H LYS A 14 11.043 11.913 3.582 1.00 0.00 H new ATOM 0 HA LYS A 14 11.075 11.814 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.914 11.197 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.376 10.704 1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.174 13.008 0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.486 13.547 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.704 12.785 3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.345 12.634 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.120 15.196 2.723 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.839 14.854 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.212 16.227 0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.776 14.723 0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.111 15.054 0.303 1.00 0.00 H new ATOM 216 N LYS A 15 10.635 9.018 2.331 1.00 0.00 N ATOM 217 CA LYS A 15 9.971 7.726 2.181 1.00 0.00 C ATOM 218 C LYS A 15 8.567 7.833 1.569 1.00 0.00 C ATOM 219 O LYS A 15 8.247 7.095 0.637 1.00 0.00 O ATOM 220 CB LYS A 15 9.951 7.044 3.547 1.00 0.00 C ATOM 221 CG LYS A 15 9.196 5.722 3.523 1.00 0.00 C ATOM 222 CD LYS A 15 9.667 4.757 2.421 1.00 0.00 C ATOM 223 CE LYS A 15 11.118 4.334 2.661 1.00 0.00 C ATOM 224 NZ LYS A 15 11.608 3.392 1.625 1.00 0.00 N ATOM 0 H LYS A 15 10.847 9.261 3.299 1.00 0.00 H new ATOM 0 HA LYS A 15 10.533 7.122 1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.975 6.869 3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.490 7.710 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.306 5.234 4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.134 5.924 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.024 3.877 2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.579 5.238 1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.755 5.219 2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.200 3.867 3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.494 2.952 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.894 2.654 1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.780 3.909 0.739 1.00 0.00 H new ATOM 238 N VAL A 16 7.744 8.774 2.035 1.00 0.00 N ATOM 239 CA VAL A 16 6.419 9.060 1.441 1.00 0.00 C ATOM 240 C VAL A 16 6.511 9.384 -0.055 1.00 0.00 C ATOM 241 O VAL A 16 5.550 9.162 -0.789 1.00 0.00 O ATOM 242 CB VAL A 16 5.675 10.159 2.240 1.00 0.00 C ATOM 243 CG1 VAL A 16 4.835 11.165 1.442 1.00 0.00 C ATOM 244 CG2 VAL A 16 4.734 9.484 3.240 1.00 0.00 C ATOM 0 H VAL A 16 7.969 9.365 2.835 1.00 0.00 H new ATOM 0 HA VAL A 16 5.824 8.149 1.514 1.00 0.00 H new ATOM 0 HB VAL A 16 6.478 10.742 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.371 11.876 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.477 11.701 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.059 10.634 0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.203 10.246 3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.015 8.866 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.313 8.859 3.920 1.00 0.00 H new ATOM 254 N GLU A 17 7.668 9.842 -0.535 1.00 0.00 N ATOM 255 CA GLU A 17 7.858 10.172 -1.953 1.00 0.00 C ATOM 256 C GLU A 17 8.018 8.902 -2.797 1.00 0.00 C ATOM 257 O GLU A 17 7.394 8.792 -3.849 1.00 0.00 O ATOM 258 CB GLU A 17 9.046 11.123 -2.165 1.00 0.00 C ATOM 259 CG GLU A 17 8.785 12.585 -1.767 1.00 0.00 C ATOM 260 CD GLU A 17 7.680 13.264 -2.602 1.00 0.00 C ATOM 261 OE1 GLU A 17 7.661 13.119 -3.847 1.00 0.00 O ATOM 262 OE2 GLU A 17 6.812 13.958 -2.021 1.00 0.00 O ATOM 0 H GLU A 17 8.496 9.995 0.041 1.00 0.00 H new ATOM 0 HA GLU A 17 6.960 10.693 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.896 10.752 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.333 11.094 -3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.507 12.622 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.710 13.152 -1.873 1.00 0.00 H new ATOM 269 N GLU A 18 8.786 7.912 -2.329 1.00 0.00 N ATOM 270 CA GLU A 18 8.876 6.584 -2.961 1.00 0.00 C ATOM 271 C GLU A 18 7.522 5.851 -2.952 1.00 0.00 C ATOM 272 O GLU A 18 7.093 5.307 -3.973 1.00 0.00 O ATOM 273 CB GLU A 18 9.934 5.718 -2.259 1.00 0.00 C ATOM 274 CG GLU A 18 11.345 6.315 -2.329 1.00 0.00 C ATOM 275 CD GLU A 18 12.396 5.326 -1.791 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.220 4.803 -0.664 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.405 5.063 -2.491 1.00 0.00 O ATOM 0 H GLU A 18 9.367 8.007 -1.496 1.00 0.00 H new ATOM 0 HA GLU A 18 9.169 6.745 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.653 5.588 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.943 4.727 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.582 6.576 -3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.381 7.238 -1.751 1.00 0.00 H new ATOM 284 N ALA A 19 6.826 5.872 -1.811 1.00 0.00 N ATOM 285 CA ALA A 19 5.483 5.312 -1.643 1.00 0.00 C ATOM 286 C ALA A 19 4.469 5.942 -2.628 1.00 0.00 C ATOM 287 O ALA A 19 3.775 5.228 -3.358 1.00 0.00 O ATOM 288 CB ALA A 19 5.112 5.464 -0.162 1.00 0.00 C ATOM 0 H ALA A 19 7.192 6.291 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 19 5.459 4.253 -1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.115 5.058 0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.833 4.923 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.124 6.520 0.110 1.00 0.00 H new ATOM 294 N LYS A 20 4.437 7.280 -2.720 1.00 0.00 N ATOM 295 CA LYS A 20 3.657 8.038 -3.716 1.00 0.00 C ATOM 296 C LYS A 20 4.073 7.722 -5.159 1.00 0.00 C ATOM 297 O LYS A 20 3.203 7.548 -6.011 1.00 0.00 O ATOM 298 CB LYS A 20 3.772 9.534 -3.386 1.00 0.00 C ATOM 299 CG LYS A 20 2.976 10.444 -4.338 1.00 0.00 C ATOM 300 CD LYS A 20 2.906 11.897 -3.837 1.00 0.00 C ATOM 301 CE LYS A 20 4.302 12.478 -3.577 1.00 0.00 C ATOM 302 NZ LYS A 20 4.251 13.877 -3.085 1.00 0.00 N ATOM 0 H LYS A 20 4.966 7.882 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 20 2.612 7.735 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.425 9.699 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.823 9.823 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.437 10.425 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.965 10.052 -4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.388 12.511 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.319 11.937 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.820 11.857 -2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.885 12.441 -4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.175 14.139 -2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.021 14.514 -3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.521 13.960 -2.349 1.00 0.00 H new ATOM 316 N LYS A 21 5.373 7.589 -5.449 1.00 0.00 N ATOM 317 CA LYS A 21 5.877 7.169 -6.771 1.00 0.00 C ATOM 318 C LYS A 21 5.320 5.814 -7.205 1.00 0.00 C ATOM 319 O LYS A 21 4.885 5.698 -8.347 1.00 0.00 O ATOM 320 CB LYS A 21 7.421 7.206 -6.832 1.00 0.00 C ATOM 321 CG LYS A 21 7.937 8.443 -7.594 1.00 0.00 C ATOM 322 CD LYS A 21 8.073 8.280 -9.124 1.00 0.00 C ATOM 323 CE LYS A 21 7.014 7.376 -9.769 1.00 0.00 C ATOM 324 NZ LYS A 21 7.006 7.457 -11.246 1.00 0.00 N ATOM 0 H LYS A 21 6.113 7.770 -4.771 1.00 0.00 H new ATOM 0 HA LYS A 21 5.508 7.898 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.824 7.209 -5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.787 6.302 -7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.263 9.277 -7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.911 8.716 -7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.021 9.265 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.060 7.876 -9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.194 6.344 -9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.030 7.652 -9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.679 6.553 -11.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.366 8.219 -11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.968 7.657 -11.588 1.00 0.00 H new ATOM 338 N LYS A 22 5.246 4.818 -6.317 1.00 0.00 N ATOM 339 CA LYS A 22 4.573 3.541 -6.624 1.00 0.00 C ATOM 340 C LYS A 22 3.083 3.698 -6.921 1.00 0.00 C ATOM 341 O LYS A 22 2.601 3.081 -7.866 1.00 0.00 O ATOM 342 CB LYS A 22 4.850 2.486 -5.540 1.00 0.00 C ATOM 343 CG LYS A 22 6.314 2.004 -5.541 1.00 0.00 C ATOM 344 CD LYS A 22 6.804 1.420 -6.883 1.00 0.00 C ATOM 345 CE LYS A 22 6.012 0.203 -7.388 1.00 0.00 C ATOM 346 NZ LYS A 22 6.211 -0.999 -6.533 1.00 0.00 N ATOM 0 H LYS A 22 5.642 4.866 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 22 5.012 3.176 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.610 2.904 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.190 1.632 -5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.957 2.841 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.432 1.246 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.761 2.203 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.851 1.135 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.951 0.451 -7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.316 -0.027 -8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.657 -1.792 -6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.219 -1.254 -6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.896 -0.792 -5.564 1.00 0.00 H new ATOM 360 N ALA A 23 2.357 4.560 -6.212 1.00 0.00 N ATOM 361 CA ALA A 23 0.989 4.893 -6.614 1.00 0.00 C ATOM 362 C ALA A 23 0.925 5.555 -8.010 1.00 0.00 C ATOM 363 O ALA A 23 0.049 5.228 -8.806 1.00 0.00 O ATOM 364 CB ALA A 23 0.319 5.738 -5.523 1.00 0.00 C ATOM 0 H ALA A 23 2.684 5.034 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 23 0.426 3.965 -6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.699 5.983 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.294 5.174 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.885 6.658 -5.376 1.00 0.00 H new ATOM 370 N GLU A 24 1.873 6.424 -8.370 1.00 0.00 N ATOM 371 CA GLU A 24 1.913 7.053 -9.701 1.00 0.00 C ATOM 372 C GLU A 24 2.256 6.045 -10.810 1.00 0.00 C ATOM 373 O GLU A 24 1.678 6.067 -11.894 1.00 0.00 O ATOM 374 CB GLU A 24 2.910 8.226 -9.692 1.00 0.00 C ATOM 375 CG GLU A 24 2.925 9.032 -11.000 1.00 0.00 C ATOM 376 CD GLU A 24 4.107 10.018 -11.027 1.00 0.00 C ATOM 377 OE1 GLU A 24 5.221 9.607 -11.440 1.00 0.00 O ATOM 378 OE2 GLU A 24 3.932 11.200 -10.645 1.00 0.00 O ATOM 0 H GLU A 24 2.633 6.713 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 24 0.916 7.432 -9.924 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.664 8.894 -8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.911 7.839 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.994 8.352 -11.849 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.988 9.579 -11.105 1.00 0.00 H new ATOM 385 N ASP A 25 3.144 5.099 -10.530 1.00 0.00 N ATOM 386 CA ASP A 25 3.436 3.975 -11.418 1.00 0.00 C ATOM 387 C ASP A 25 2.213 3.064 -11.658 1.00 0.00 C ATOM 388 O ASP A 25 2.128 2.390 -12.688 1.00 0.00 O ATOM 389 CB ASP A 25 4.610 3.186 -10.828 1.00 0.00 C ATOM 390 CG ASP A 25 5.955 3.936 -10.892 1.00 0.00 C ATOM 391 OD1 ASP A 25 6.127 4.851 -11.737 1.00 0.00 O ATOM 392 OD2 ASP A 25 6.870 3.585 -10.110 1.00 0.00 O ATOM 0 H ASP A 25 3.690 5.089 -9.669 1.00 0.00 H new ATOM 0 HA ASP A 25 3.701 4.369 -12.399 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.388 2.944 -9.789 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.706 2.240 -11.362 1.00 0.00 H new ATOM 397 N GLN A 26 1.227 3.078 -10.754 1.00 0.00 N ATOM 398 CA GLN A 26 -0.045 2.379 -10.925 1.00 0.00 C ATOM 399 C GLN A 26 -1.136 3.277 -11.526 1.00 0.00 C ATOM 400 O GLN A 26 -2.102 2.786 -12.108 1.00 0.00 O ATOM 401 CB GLN A 26 -0.466 1.795 -9.578 1.00 0.00 C ATOM 402 CG GLN A 26 0.121 0.391 -9.353 1.00 0.00 C ATOM 403 CD GLN A 26 1.442 0.330 -8.596 1.00 0.00 C ATOM 404 OE1 GLN A 26 2.528 0.332 -9.161 1.00 0.00 O ATOM 405 NE2 GLN A 26 1.390 0.182 -7.287 1.00 0.00 N ATOM 0 H GLN A 26 1.295 3.584 -9.871 1.00 0.00 H new ATOM 0 HA GLN A 26 0.092 1.572 -11.645 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.139 2.458 -8.777 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.554 1.746 -9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.613 -0.205 -8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.260 -0.082 -10.325 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.489 0.179 -6.809 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.251 0.070 -6.752 1.00 0.00 H new ATOM 414 N LYS A 27 -0.977 4.599 -11.465 1.00 0.00 N ATOM 415 CA LYS A 27 -1.756 5.535 -12.279 1.00 0.00 C ATOM 416 C LYS A 27 -1.426 5.399 -13.757 1.00 0.00 C ATOM 417 O LYS A 27 -2.317 5.350 -14.596 1.00 0.00 O ATOM 418 CB LYS A 27 -1.469 6.951 -11.808 1.00 0.00 C ATOM 419 CG LYS A 27 -2.332 7.982 -12.531 1.00 0.00 C ATOM 420 CD LYS A 27 -3.853 7.798 -12.475 1.00 0.00 C ATOM 421 CE LYS A 27 -4.352 7.538 -11.048 1.00 0.00 C ATOM 422 NZ LYS A 27 -5.836 7.540 -11.003 1.00 0.00 N ATOM 0 H LYS A 27 -0.303 5.053 -10.849 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.815 5.305 -12.159 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.647 7.019 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.416 7.181 -11.972 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.097 8.964 -12.121 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.033 7.995 -13.579 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.340 8.689 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.141 6.965 -13.116 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.974 6.579 -10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.962 8.302 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.158 7.058 -10.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.182 8.521 -11.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.209 7.042 -11.836 1.00 0.00 H new ATOM 436 N GLU A 28 -0.137 5.291 -14.055 1.00 0.00 N ATOM 437 CA GLU A 28 0.339 4.865 -15.376 1.00 0.00 C ATOM 438 C GLU A 28 -0.377 3.574 -15.826 1.00 0.00 C ATOM 439 O GLU A 28 -0.827 3.492 -16.966 1.00 0.00 O ATOM 440 CB GLU A 28 1.870 4.739 -15.386 1.00 0.00 C ATOM 441 CG GLU A 28 2.414 4.516 -16.803 1.00 0.00 C ATOM 442 CD GLU A 28 3.954 4.522 -16.818 1.00 0.00 C ATOM 443 OE1 GLU A 28 4.560 5.611 -16.974 1.00 0.00 O ATOM 444 OE2 GLU A 28 4.574 3.437 -16.696 1.00 0.00 O ATOM 0 H GLU A 28 0.611 5.495 -13.392 1.00 0.00 H new ATOM 0 HA GLU A 28 0.085 5.630 -16.110 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.312 5.642 -14.965 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.171 3.909 -14.746 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.048 3.565 -17.190 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.039 5.296 -17.466 1.00 0.00 H new ATOM 451 N GLU A 29 -0.601 2.611 -14.922 1.00 0.00 N ATOM 452 CA GLU A 29 -1.482 1.464 -15.189 1.00 0.00 C ATOM 453 C GLU A 29 -2.937 1.871 -15.522 1.00 0.00 C ATOM 454 O GLU A 29 -3.384 1.575 -16.621 1.00 0.00 O ATOM 455 CB GLU A 29 -1.415 0.429 -14.055 1.00 0.00 C ATOM 456 CG GLU A 29 -1.696 -0.992 -14.550 1.00 0.00 C ATOM 457 CD GLU A 29 -0.470 -1.697 -15.166 1.00 0.00 C ATOM 458 OE1 GLU A 29 0.429 -1.027 -15.724 1.00 0.00 O ATOM 459 OE2 GLU A 29 -0.443 -2.948 -15.219 1.00 0.00 O ATOM 0 H GLU A 29 -0.181 2.603 -13.992 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.100 0.990 -16.093 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.428 0.462 -13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.138 0.692 -13.282 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.065 -1.590 -13.716 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.493 -0.956 -15.293 1.00 0.00 H new ATOM 466 N ASP A 30 -3.658 2.636 -14.689 1.00 0.00 N ATOM 467 CA ASP A 30 -4.958 3.287 -14.876 1.00 0.00 C ATOM 468 C ASP A 30 -4.975 4.294 -16.050 1.00 0.00 C ATOM 469 O ASP A 30 -5.921 5.055 -16.223 1.00 0.00 O ATOM 470 CB ASP A 30 -5.243 3.956 -13.514 1.00 0.00 C ATOM 471 CG ASP A 30 -6.602 4.653 -13.357 1.00 0.00 C ATOM 472 OD1 ASP A 30 -7.647 3.975 -13.410 1.00 0.00 O ATOM 473 OD2 ASP A 30 -6.620 5.873 -13.061 1.00 0.00 O ATOM 0 H ASP A 30 -3.297 2.835 -13.756 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.731 2.571 -15.156 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.159 3.195 -12.738 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.460 4.691 -13.326 1.00 0.00 H new ATOM 478 N ARG A 31 -3.932 4.301 -16.886 1.00 0.00 N ATOM 479 CA ARG A 31 -3.790 5.105 -18.097 1.00 0.00 C ATOM 480 C ARG A 31 -3.350 4.289 -19.310 1.00 0.00 C ATOM 481 O ARG A 31 -3.609 4.693 -20.443 1.00 0.00 O ATOM 482 CB ARG A 31 -2.828 6.244 -17.767 1.00 0.00 C ATOM 483 CG ARG A 31 -3.586 7.326 -16.987 1.00 0.00 C ATOM 484 CD ARG A 31 -2.745 8.584 -16.747 1.00 0.00 C ATOM 485 NE ARG A 31 -2.426 9.295 -18.003 1.00 0.00 N ATOM 486 CZ ARG A 31 -1.608 10.324 -18.142 1.00 0.00 C ATOM 487 NH1 ARG A 31 -0.970 10.847 -17.132 1.00 0.00 N ATOM 488 NH2 ARG A 31 -1.414 10.857 -19.314 1.00 0.00 N ATOM 0 H ARG A 31 -3.117 3.709 -16.723 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.760 5.505 -18.393 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.991 5.871 -17.177 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.411 6.662 -18.683 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.489 7.597 -17.535 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.905 6.919 -16.027 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.283 9.256 -16.079 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.819 8.308 -16.243 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.884 8.957 -18.849 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.094 10.462 -16.196 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.347 11.641 -17.278 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.894 10.481 -20.131 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.782 11.651 -19.415 1.00 0.00 H new ATOM 502 N ARG A 32 -2.774 3.105 -19.077 1.00 0.00 N ATOM 503 CA ARG A 32 -2.479 2.076 -20.084 1.00 0.00 C ATOM 504 C ARG A 32 -3.501 0.961 -20.177 1.00 0.00 C ATOM 505 O ARG A 32 -3.531 0.199 -21.136 1.00 0.00 O ATOM 506 CB ARG A 32 -1.019 1.644 -19.943 1.00 0.00 C ATOM 507 CG ARG A 32 -0.701 0.150 -20.020 1.00 0.00 C ATOM 508 CD ARG A 32 -1.343 -0.591 -18.844 1.00 0.00 C ATOM 509 NE ARG A 32 -0.504 -1.656 -18.282 1.00 0.00 N ATOM 510 CZ ARG A 32 -0.419 -2.914 -18.668 1.00 0.00 C ATOM 511 NH1 ARG A 32 -0.850 -3.324 -19.828 1.00 0.00 N ATOM 512 NH2 ARG A 32 0.092 -3.788 -17.856 1.00 0.00 N ATOM 0 H ARG A 32 -2.487 2.824 -18.139 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.589 2.516 -21.075 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.445 2.148 -20.721 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.652 2.014 -18.986 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.069 -0.259 -20.961 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.379 -0.000 -20.008 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.576 0.128 -18.058 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.289 -1.022 -19.172 1.00 0.00 H new ATOM 0 HE ARG A 32 0.087 -1.390 -17.495 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.273 -2.662 -20.478 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.764 -4.307 -20.086 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.420 -3.498 -16.935 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.165 -4.765 -18.139 1.00 0.00 H new ATOM 526 N ASN A 33 -4.317 0.882 -19.146 1.00 0.00 N ATOM 527 CA ASN A 33 -5.186 -0.255 -18.863 1.00 0.00 C ATOM 528 C ASN A 33 -6.687 0.089 -18.861 1.00 0.00 C ATOM 529 O ASN A 33 -7.512 -0.759 -18.558 1.00 0.00 O ATOM 530 CB ASN A 33 -4.687 -0.866 -17.557 1.00 0.00 C ATOM 531 CG ASN A 33 -5.162 -2.263 -17.309 1.00 0.00 C ATOM 532 OD1 ASN A 33 -5.603 -3.008 -18.166 1.00 0.00 O ATOM 533 ND2 ASN A 33 -5.105 -2.642 -16.068 1.00 0.00 N ATOM 0 H ASN A 33 -4.400 1.629 -18.456 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.123 -0.987 -19.669 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.597 -0.861 -17.560 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.006 -0.234 -16.728 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.431 -3.571 -15.803 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.734 -2.010 -15.358 1.00 0.00 H new ATOM 540 N TYR A 34 -7.041 1.328 -19.200 1.00 0.00 N ATOM 541 CA TYR A 34 -8.248 1.725 -19.993 1.00 0.00 C ATOM 542 C TYR A 34 -8.064 2.760 -21.101 1.00 0.00 C ATOM 543 O TYR A 34 -8.483 3.917 -21.009 1.00 0.00 O ATOM 544 CB TYR A 34 -9.542 1.935 -19.208 1.00 0.00 C ATOM 545 CG TYR A 34 -9.715 3.170 -18.409 1.00 0.00 C ATOM 546 CD1 TYR A 34 -8.688 3.657 -17.601 1.00 0.00 C ATOM 547 CD2 TYR A 34 -10.995 3.729 -18.370 1.00 0.00 C ATOM 548 CE1 TYR A 34 -8.982 4.638 -16.657 1.00 0.00 C ATOM 549 CE2 TYR A 34 -11.264 4.761 -17.480 1.00 0.00 C ATOM 550 CZ TYR A 34 -10.267 5.220 -16.589 1.00 0.00 C ATOM 551 OH TYR A 34 -10.547 6.177 -15.662 1.00 0.00 O ATOM 0 H TYR A 34 -6.480 2.135 -18.926 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.383 0.788 -20.534 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.367 1.887 -19.919 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.655 1.089 -18.531 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.681 3.280 -17.705 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.769 3.361 -19.027 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.216 4.958 -15.967 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.243 5.217 -17.469 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.478 6.466 -15.761 1.00 0.00 H new ATOM 561 N PRO A 35 -7.251 2.391 -22.091 1.00 0.00 N ATOM 562 CA PRO A 35 -7.323 1.328 -23.109 1.00 0.00 C ATOM 563 C PRO A 35 -8.290 0.142 -22.926 1.00 0.00 C ATOM 564 O PRO A 35 -9.353 0.085 -23.542 1.00 0.00 O ATOM 565 CB PRO A 35 -5.861 0.901 -23.257 1.00 0.00 C ATOM 566 CG PRO A 35 -5.136 2.245 -23.114 1.00 0.00 C ATOM 567 CD PRO A 35 -5.894 2.811 -21.917 1.00 0.00 C ATOM 0 HA PRO A 35 -7.795 1.738 -24.002 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.561 0.189 -22.488 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -5.666 0.430 -24.221 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.070 2.128 -22.918 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.230 2.869 -24.003 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.484 2.435 -20.979 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.821 3.898 -21.884 1.00 0.00 H new ATOM 575 N THR A 36 -7.899 -0.817 -22.089 1.00 0.00 N ATOM 576 CA THR A 36 -8.444 -2.183 -21.970 1.00 0.00 C ATOM 577 C THR A 36 -9.589 -2.339 -20.959 1.00 0.00 C ATOM 578 O THR A 36 -10.403 -3.254 -21.070 1.00 0.00 O ATOM 579 CB THR A 36 -7.296 -3.145 -21.589 1.00 0.00 C ATOM 580 OG1 THR A 36 -6.088 -2.457 -21.313 1.00 0.00 O ATOM 581 CG2 THR A 36 -6.952 -4.064 -22.749 1.00 0.00 C ATOM 0 H THR A 36 -7.140 -0.657 -21.426 1.00 0.00 H new ATOM 0 HA THR A 36 -8.876 -2.421 -22.942 1.00 0.00 H new ATOM 0 HB THR A 36 -7.657 -3.685 -20.714 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.391 -3.103 -21.075 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.141 -4.731 -22.456 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.828 -4.654 -23.018 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.639 -3.467 -23.606 1.00 0.00 H new ATOM 589 N ASN A 37 -9.666 -1.450 -19.968 1.00 0.00 N ATOM 590 CA ASN A 37 -10.529 -1.461 -18.795 1.00 0.00 C ATOM 591 C ASN A 37 -10.458 -2.666 -17.860 1.00 0.00 C ATOM 592 O ASN A 37 -11.451 -3.243 -17.418 1.00 0.00 O ATOM 593 CB ASN A 37 -11.834 -0.716 -19.054 1.00 0.00 C ATOM 594 CG ASN A 37 -13.072 -1.559 -19.261 1.00 0.00 C ATOM 595 OD1 ASN A 37 -14.103 -1.358 -18.634 1.00 0.00 O ATOM 596 ND2 ASN A 37 -13.037 -2.513 -20.153 1.00 0.00 N ATOM 0 H ASN A 37 -9.065 -0.626 -19.971 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.070 -0.840 -18.026 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -12.016 -0.047 -18.213 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.698 -0.090 -19.936 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -13.865 -3.084 -20.322 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.181 -2.687 -20.680 1.00 0.00 H new ATOM 603 N THR A 38 -9.216 -2.890 -17.426 1.00 0.00 N ATOM 604 CA THR A 38 -8.878 -3.427 -16.099 1.00 0.00 C ATOM 605 C THR A 38 -8.281 -2.354 -15.165 1.00 0.00 C ATOM 606 O THR A 38 -8.301 -2.536 -13.952 1.00 0.00 O ATOM 607 CB THR A 38 -7.985 -4.654 -16.273 1.00 0.00 C ATOM 608 OG1 THR A 38 -8.621 -5.496 -17.200 1.00 0.00 O ATOM 609 CG2 THR A 38 -7.736 -5.444 -14.999 1.00 0.00 C ATOM 0 H THR A 38 -8.394 -2.699 -17.999 1.00 0.00 H new ATOM 0 HA THR A 38 -9.791 -3.744 -15.594 1.00 0.00 H new ATOM 0 HB THR A 38 -7.007 -4.300 -16.600 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.076 -6.298 -17.341 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.093 -6.296 -15.219 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.251 -4.803 -14.263 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.686 -5.800 -14.600 1.00 0.00 H new ATOM 617 N TYR A 39 -7.837 -1.211 -15.718 1.00 0.00 N ATOM 618 CA TYR A 39 -7.486 0.095 -15.120 1.00 0.00 C ATOM 619 C TYR A 39 -7.566 0.390 -13.613 1.00 0.00 C ATOM 620 O TYR A 39 -6.667 1.052 -13.095 1.00 0.00 O ATOM 621 CB TYR A 39 -8.388 1.136 -15.768 1.00 0.00 C ATOM 622 CG TYR A 39 -9.839 1.203 -15.313 1.00 0.00 C ATOM 623 CD1 TYR A 39 -10.715 0.121 -15.510 1.00 0.00 C ATOM 624 CD2 TYR A 39 -10.305 2.357 -14.662 1.00 0.00 C ATOM 625 CE1 TYR A 39 -12.054 0.192 -15.092 1.00 0.00 C ATOM 626 CE2 TYR A 39 -11.651 2.452 -14.258 1.00 0.00 C ATOM 627 CZ TYR A 39 -12.533 1.369 -14.473 1.00 0.00 C ATOM 628 OH TYR A 39 -13.828 1.457 -14.063 1.00 0.00 O ATOM 0 H TYR A 39 -7.697 -1.175 -16.728 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.411 0.104 -15.303 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.940 2.116 -15.603 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -8.383 0.960 -16.844 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -10.353 -0.777 -15.989 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -9.628 3.176 -14.470 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -12.715 -0.649 -15.243 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -12.009 3.354 -13.783 1.00 0.00 H new ATOM 0 HH TYR A 39 -13.984 2.336 -13.658 1.00 0.00 H new ATOM 638 N LYS A 40 -8.631 -0.015 -12.908 1.00 0.00 N ATOM 639 CA LYS A 40 -8.961 0.330 -11.527 1.00 0.00 C ATOM 640 C LYS A 40 -8.185 -0.643 -10.642 1.00 0.00 C ATOM 641 O LYS A 40 -8.712 -1.435 -9.864 1.00 0.00 O ATOM 642 CB LYS A 40 -10.499 0.266 -11.439 1.00 0.00 C ATOM 643 CG LYS A 40 -11.169 0.449 -10.077 1.00 0.00 C ATOM 644 CD LYS A 40 -10.881 1.770 -9.346 1.00 0.00 C ATOM 645 CE LYS A 40 -9.631 1.701 -8.460 1.00 0.00 C ATOM 646 NZ LYS A 40 -9.515 2.906 -7.601 1.00 0.00 N ATOM 0 H LYS A 40 -9.329 -0.634 -13.319 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.674 1.326 -11.191 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.899 1.027 -12.108 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.812 -0.701 -11.833 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.247 0.361 -10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.861 -0.373 -9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.756 2.566 -10.080 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.742 2.035 -8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.673 0.809 -7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.743 1.610 -9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.709 2.794 -6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.366 3.745 -8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.389 3.025 -7.049 1.00 0.00 H new ATOM 660 N THR A 41 -6.891 -0.654 -10.919 1.00 0.00 N ATOM 661 CA THR A 41 -5.961 -1.721 -10.616 1.00 0.00 C ATOM 662 C THR A 41 -5.760 -1.733 -9.113 1.00 0.00 C ATOM 663 O THR A 41 -5.367 -0.733 -8.518 1.00 0.00 O ATOM 664 CB THR A 41 -4.662 -1.541 -11.430 1.00 0.00 C ATOM 665 OG1 THR A 41 -4.068 -0.281 -11.226 1.00 0.00 O ATOM 666 CG2 THR A 41 -4.929 -1.642 -12.942 1.00 0.00 C ATOM 0 H THR A 41 -6.439 0.130 -11.389 1.00 0.00 H new ATOM 0 HA THR A 41 -6.344 -2.698 -10.910 1.00 0.00 H new ATOM 0 HB THR A 41 -4.001 -2.335 -11.084 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.364 0.085 -10.366 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.994 -1.511 -13.486 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.349 -2.621 -13.173 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.634 -0.866 -13.240 1.00 0.00 H new ATOM 674 N LEU A 42 -6.128 -2.837 -8.465 1.00 0.00 N ATOM 675 CA LEU A 42 -6.091 -2.909 -6.991 1.00 0.00 C ATOM 676 C LEU A 42 -4.688 -2.627 -6.425 1.00 0.00 C ATOM 677 O LEU A 42 -4.585 -2.174 -5.296 1.00 0.00 O ATOM 678 CB LEU A 42 -6.722 -4.196 -6.398 1.00 0.00 C ATOM 679 CG LEU A 42 -8.185 -4.500 -6.727 1.00 0.00 C ATOM 680 CD1 LEU A 42 -9.063 -3.349 -6.289 1.00 0.00 C ATOM 681 CD2 LEU A 42 -8.420 -4.839 -8.192 1.00 0.00 C ATOM 0 H LEU A 42 -6.453 -3.688 -8.923 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.740 -2.100 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.123 -5.044 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.628 -4.144 -5.313 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.454 -5.397 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.103 -3.574 -6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.960 -3.202 -5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.759 -2.441 -6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.479 -5.043 -8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.114 -3.998 -8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.836 -5.719 -8.460 1.00 0.00 H new ATOM 693 N GLU A 43 -3.616 -2.795 -7.207 1.00 0.00 N ATOM 694 CA GLU A 43 -2.260 -2.297 -6.904 1.00 0.00 C ATOM 695 C GLU A 43 -2.115 -0.764 -6.768 1.00 0.00 C ATOM 696 O GLU A 43 -1.249 -0.313 -6.015 1.00 0.00 O ATOM 697 CB GLU A 43 -1.233 -2.907 -7.868 1.00 0.00 C ATOM 698 CG GLU A 43 -1.615 -2.872 -9.353 1.00 0.00 C ATOM 699 CD GLU A 43 -0.516 -3.553 -10.186 1.00 0.00 C ATOM 700 OE1 GLU A 43 -0.303 -4.776 -9.994 1.00 0.00 O ATOM 701 OE2 GLU A 43 0.143 -2.880 -11.012 1.00 0.00 O ATOM 0 H GLU A 43 -3.664 -3.295 -8.095 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.049 -2.645 -5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.287 -2.381 -7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.062 -3.944 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.568 -3.379 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.747 -1.841 -9.681 1.00 0.00 H new ATOM 708 N LEU A 44 -2.940 0.053 -7.436 1.00 0.00 N ATOM 709 CA LEU A 44 -3.103 1.484 -7.131 1.00 0.00 C ATOM 710 C LEU A 44 -3.658 1.658 -5.709 1.00 0.00 C ATOM 711 O LEU A 44 -3.125 2.419 -4.905 1.00 0.00 O ATOM 712 CB LEU A 44 -4.069 2.122 -8.152 1.00 0.00 C ATOM 713 CG LEU A 44 -4.136 3.657 -8.038 1.00 0.00 C ATOM 714 CD1 LEU A 44 -3.038 4.331 -8.842 1.00 0.00 C ATOM 715 CD2 LEU A 44 -5.469 4.172 -8.572 1.00 0.00 C ATOM 0 H LEU A 44 -3.521 -0.263 -8.213 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.133 1.977 -7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.755 1.851 -9.160 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.067 1.708 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.017 3.895 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.120 5.413 -8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.065 4.003 -8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.139 4.062 -9.893 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.501 5.258 -8.485 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.575 3.889 -9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.285 3.737 -7.994 1.00 0.00 H new ATOM 727 N GLU A 45 -4.734 0.933 -5.410 1.00 0.00 N ATOM 728 CA GLU A 45 -5.458 0.985 -4.138 1.00 0.00 C ATOM 729 C GLU A 45 -4.580 0.527 -2.955 1.00 0.00 C ATOM 730 O GLU A 45 -4.516 1.190 -1.919 1.00 0.00 O ATOM 731 CB GLU A 45 -6.741 0.144 -4.278 1.00 0.00 C ATOM 732 CG GLU A 45 -7.966 0.810 -3.645 1.00 0.00 C ATOM 733 CD GLU A 45 -8.628 1.847 -4.577 1.00 0.00 C ATOM 734 OE1 GLU A 45 -7.929 2.523 -5.370 1.00 0.00 O ATOM 735 OE2 GLU A 45 -9.875 1.978 -4.555 1.00 0.00 O ATOM 0 H GLU A 45 -5.141 0.269 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.729 2.016 -3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.938 -0.035 -5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.583 -0.829 -3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.696 0.044 -3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.670 1.299 -2.717 1.00 0.00 H new ATOM 742 N ILE A 46 -3.851 -0.579 -3.136 1.00 0.00 N ATOM 743 CA ILE A 46 -2.792 -1.095 -2.245 1.00 0.00 C ATOM 744 C ILE A 46 -1.714 -0.037 -1.992 1.00 0.00 C ATOM 745 O ILE A 46 -1.387 0.240 -0.838 1.00 0.00 O ATOM 746 CB ILE A 46 -2.178 -2.360 -2.876 1.00 0.00 C ATOM 747 CG1 ILE A 46 -3.140 -3.548 -2.793 1.00 0.00 C ATOM 748 CG2 ILE A 46 -0.802 -2.758 -2.307 1.00 0.00 C ATOM 749 CD1 ILE A 46 -2.895 -4.606 -3.872 1.00 0.00 C ATOM 0 H ILE A 46 -3.987 -1.176 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.231 -1.345 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.010 -2.093 -3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.048 -4.013 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.164 -3.184 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.447 -3.658 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.092 -1.947 -2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.892 -2.951 -1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.612 -5.419 -3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.016 -4.156 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.883 -4.998 -3.774 1.00 0.00 H new ATOM 761 N ALA A 47 -1.152 0.556 -3.055 1.00 0.00 N ATOM 762 CA ALA A 47 -0.138 1.599 -2.914 1.00 0.00 C ATOM 763 C ALA A 47 -0.670 2.825 -2.151 1.00 0.00 C ATOM 764 O ALA A 47 0.048 3.392 -1.332 1.00 0.00 O ATOM 765 CB ALA A 47 0.400 1.980 -4.296 1.00 0.00 C ATOM 0 H ALA A 47 -1.386 0.327 -4.021 1.00 0.00 H new ATOM 0 HA ALA A 47 0.682 1.204 -2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.156 2.758 -4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.844 1.104 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.417 2.350 -4.915 1.00 0.00 H new ATOM 771 N GLU A 48 -1.924 3.224 -2.385 1.00 0.00 N ATOM 772 CA GLU A 48 -2.550 4.367 -1.707 1.00 0.00 C ATOM 773 C GLU A 48 -2.796 4.098 -0.211 1.00 0.00 C ATOM 774 O GLU A 48 -2.445 4.917 0.640 1.00 0.00 O ATOM 775 CB GLU A 48 -3.847 4.754 -2.438 1.00 0.00 C ATOM 776 CG GLU A 48 -4.454 6.049 -1.882 1.00 0.00 C ATOM 777 CD GLU A 48 -5.671 6.497 -2.713 1.00 0.00 C ATOM 778 OE1 GLU A 48 -6.811 6.066 -2.412 1.00 0.00 O ATOM 779 OE2 GLU A 48 -5.500 7.300 -3.663 1.00 0.00 O ATOM 0 H GLU A 48 -2.539 2.761 -3.054 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.858 5.208 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.641 4.877 -3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.571 3.945 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.755 5.897 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.700 6.836 -1.883 1.00 0.00 H new ATOM 786 N SER A 49 -3.369 2.942 0.127 1.00 0.00 N ATOM 787 CA SER A 49 -3.601 2.527 1.517 1.00 0.00 C ATOM 788 C SER A 49 -2.297 2.312 2.301 1.00 0.00 C ATOM 789 O SER A 49 -2.174 2.838 3.407 1.00 0.00 O ATOM 790 CB SER A 49 -4.541 1.318 1.579 1.00 0.00 C ATOM 791 OG SER A 49 -4.125 0.279 0.715 1.00 0.00 O ATOM 0 H SER A 49 -3.689 2.259 -0.560 1.00 0.00 H new ATOM 0 HA SER A 49 -4.103 3.352 2.022 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.583 0.944 2.602 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.551 1.630 1.311 1.00 0.00 H new ATOM 0 HG SER A 49 -4.365 0.505 -0.208 1.00 0.00 H new ATOM 797 N ASP A 50 -1.279 1.649 1.736 1.00 0.00 N ATOM 798 CA ASP A 50 0.084 1.648 2.289 1.00 0.00 C ATOM 799 C ASP A 50 0.686 3.066 2.464 1.00 0.00 C ATOM 800 O ASP A 50 1.313 3.342 3.487 1.00 0.00 O ATOM 801 CB ASP A 50 1.009 0.797 1.413 1.00 0.00 C ATOM 802 CG ASP A 50 2.388 0.637 2.070 1.00 0.00 C ATOM 803 OD1 ASP A 50 2.498 -0.062 3.102 1.00 0.00 O ATOM 804 OD2 ASP A 50 3.379 1.222 1.574 1.00 0.00 O ATOM 0 H ASP A 50 -1.376 1.098 0.883 1.00 0.00 H new ATOM 0 HA ASP A 50 0.006 1.218 3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.562 -0.184 1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.120 1.263 0.434 1.00 0.00 H new ATOM 809 N VAL A 51 0.474 3.993 1.518 1.00 0.00 N ATOM 810 CA VAL A 51 0.934 5.400 1.603 1.00 0.00 C ATOM 811 C VAL A 51 0.337 6.086 2.831 1.00 0.00 C ATOM 812 O VAL A 51 0.988 6.906 3.476 1.00 0.00 O ATOM 813 CB VAL A 51 0.622 6.180 0.297 1.00 0.00 C ATOM 814 CG1 VAL A 51 0.271 7.667 0.466 1.00 0.00 C ATOM 815 CG2 VAL A 51 1.800 6.121 -0.670 1.00 0.00 C ATOM 0 H VAL A 51 -0.030 3.789 0.655 1.00 0.00 H new ATOM 0 HA VAL A 51 2.018 5.397 1.717 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.265 5.672 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.073 8.107 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.615 7.763 1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.106 8.187 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.555 6.675 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.679 6.563 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.009 5.082 -0.925 1.00 0.00 H new ATOM 825 N GLU A 52 -0.884 5.725 3.209 1.00 0.00 N ATOM 826 CA GLU A 52 -1.519 6.241 4.414 1.00 0.00 C ATOM 827 C GLU A 52 -1.063 5.571 5.724 1.00 0.00 C ATOM 828 O GLU A 52 -1.194 6.183 6.785 1.00 0.00 O ATOM 829 CB GLU A 52 -3.043 6.175 4.251 1.00 0.00 C ATOM 830 CG GLU A 52 -3.575 7.234 3.285 1.00 0.00 C ATOM 831 CD GLU A 52 -5.116 7.270 3.291 1.00 0.00 C ATOM 832 OE1 GLU A 52 -5.757 6.374 2.691 1.00 0.00 O ATOM 833 OE2 GLU A 52 -5.700 8.204 3.893 1.00 0.00 O ATOM 0 H GLU A 52 -1.461 5.066 2.687 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.194 7.276 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.324 5.185 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.515 6.306 5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.185 8.213 3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.217 7.023 2.277 1.00 0.00 H new ATOM 840 N VAL A 53 -0.435 4.388 5.683 1.00 0.00 N ATOM 841 CA VAL A 53 0.326 3.862 6.839 1.00 0.00 C ATOM 842 C VAL A 53 1.514 4.780 7.105 1.00 0.00 C ATOM 843 O VAL A 53 1.826 5.120 8.246 1.00 0.00 O ATOM 844 CB VAL A 53 0.880 2.439 6.590 1.00 0.00 C ATOM 845 CG1 VAL A 53 1.531 1.834 7.841 1.00 0.00 C ATOM 846 CG2 VAL A 53 -0.203 1.463 6.148 1.00 0.00 C ATOM 0 H VAL A 53 -0.435 3.775 4.868 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.361 3.821 7.684 1.00 0.00 H new ATOM 0 HB VAL A 53 1.621 2.571 5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.903 0.836 7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.360 2.465 8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.793 1.771 8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.238 0.479 5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.969 1.395 6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.654 1.815 5.220 1.00 0.00 H new ATOM 856 N LYS A 54 2.157 5.206 6.014 1.00 0.00 N ATOM 857 CA LYS A 54 3.371 6.006 5.993 1.00 0.00 C ATOM 858 C LYS A 54 3.069 7.379 6.566 1.00 0.00 C ATOM 859 O LYS A 54 3.684 7.805 7.541 1.00 0.00 O ATOM 860 CB LYS A 54 3.843 6.065 4.530 1.00 0.00 C ATOM 861 CG LYS A 54 5.019 5.120 4.270 1.00 0.00 C ATOM 862 CD LYS A 54 4.509 3.678 4.152 1.00 0.00 C ATOM 863 CE LYS A 54 5.668 2.687 4.013 1.00 0.00 C ATOM 864 NZ LYS A 54 5.168 1.317 3.735 1.00 0.00 N ATOM 0 H LYS A 54 1.822 4.987 5.076 1.00 0.00 H new ATOM 0 HA LYS A 54 4.165 5.577 6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.015 5.804 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.136 7.086 4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.535 5.409 3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.744 5.194 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.916 3.427 5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.849 3.593 3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.329 3.007 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.259 2.683 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.970 0.656 3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.516 1.026 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.668 1.308 2.823 1.00 0.00 H new ATOM 878 N LYS A 55 2.026 8.000 6.012 1.00 0.00 N ATOM 879 CA LYS A 55 1.414 9.248 6.461 1.00 0.00 C ATOM 880 C LYS A 55 1.204 9.296 7.973 1.00 0.00 C ATOM 881 O LYS A 55 1.660 10.229 8.633 1.00 0.00 O ATOM 882 CB LYS A 55 0.067 9.377 5.720 1.00 0.00 C ATOM 883 CG LYS A 55 -0.597 10.749 5.760 1.00 0.00 C ATOM 884 CD LYS A 55 0.369 11.809 5.225 1.00 0.00 C ATOM 885 CE LYS A 55 1.119 12.525 6.360 1.00 0.00 C ATOM 886 NZ LYS A 55 0.241 13.426 7.154 1.00 0.00 N ATOM 0 H LYS A 55 1.559 7.621 5.188 1.00 0.00 H new ATOM 0 HA LYS A 55 2.080 10.080 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.223 9.103 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.626 8.649 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.508 10.740 5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.889 10.992 6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.088 11.339 4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.184 12.541 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.562 11.781 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.940 13.105 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.819 14.162 7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.457 13.873 6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.254 12.874 7.884 1.00 0.00 H new ATOM 900 N ALA A 56 0.538 8.272 8.497 1.00 0.00 N ATOM 901 CA ALA A 56 0.159 8.178 9.904 1.00 0.00 C ATOM 902 C ALA A 56 1.386 8.122 10.836 1.00 0.00 C ATOM 903 O ALA A 56 1.383 8.724 11.912 1.00 0.00 O ATOM 904 CB ALA A 56 -0.773 6.976 10.079 1.00 0.00 C ATOM 0 H ALA A 56 0.240 7.468 7.945 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.375 9.082 10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.066 6.892 11.126 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.662 7.112 9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.256 6.067 9.773 1.00 0.00 H new ATOM 910 N GLU A 57 2.461 7.449 10.415 1.00 0.00 N ATOM 911 CA GLU A 57 3.741 7.482 11.133 1.00 0.00 C ATOM 912 C GLU A 57 4.454 8.839 11.097 1.00 0.00 C ATOM 913 O GLU A 57 4.967 9.261 12.137 1.00 0.00 O ATOM 914 CB GLU A 57 4.677 6.369 10.646 1.00 0.00 C ATOM 915 CG GLU A 57 4.105 5.016 11.052 1.00 0.00 C ATOM 916 CD GLU A 57 5.197 3.930 11.098 1.00 0.00 C ATOM 917 OE1 GLU A 57 5.566 3.385 10.030 1.00 0.00 O ATOM 918 OE2 GLU A 57 5.697 3.615 12.205 1.00 0.00 O ATOM 0 H GLU A 57 2.471 6.871 9.575 1.00 0.00 H new ATOM 0 HA GLU A 57 3.485 7.310 12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.788 6.420 9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.671 6.500 11.075 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.632 5.099 12.031 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.328 4.722 10.346 1.00 0.00 H new ATOM 925 N LEU A 58 4.481 9.549 9.958 1.00 0.00 N ATOM 926 CA LEU A 58 5.162 10.854 9.893 1.00 0.00 C ATOM 927 C LEU A 58 4.537 11.854 10.881 1.00 0.00 C ATOM 928 O LEU A 58 5.235 12.618 11.548 1.00 0.00 O ATOM 929 CB LEU A 58 5.185 11.492 8.483 1.00 0.00 C ATOM 930 CG LEU A 58 5.283 10.627 7.221 1.00 0.00 C ATOM 931 CD1 LEU A 58 5.577 11.565 6.050 1.00 0.00 C ATOM 932 CD2 LEU A 58 6.408 9.608 7.306 1.00 0.00 C ATOM 0 H LEU A 58 4.048 9.250 9.084 1.00 0.00 H new ATOM 0 HA LEU A 58 6.196 10.640 10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.278 12.090 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.027 12.184 8.461 1.00 0.00 H new ATOM 0 HG LEU A 58 4.348 10.081 7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.654 10.985 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.770 12.292 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.516 12.088 6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.436 9.020 6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.359 10.125 7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.237 8.947 8.156 1.00 0.00 H new ATOM 944 N GLU A 59 3.207 11.858 10.987 1.00 0.00 N ATOM 945 CA GLU A 59 2.506 12.867 11.782 1.00 0.00 C ATOM 946 C GLU A 59 2.603 12.620 13.293 1.00 0.00 C ATOM 947 O GLU A 59 2.592 13.583 14.066 1.00 0.00 O ATOM 948 CB GLU A 59 1.077 13.060 11.263 1.00 0.00 C ATOM 949 CG GLU A 59 0.154 11.851 11.323 1.00 0.00 C ATOM 950 CD GLU A 59 -1.159 12.120 10.560 1.00 0.00 C ATOM 951 OE1 GLU A 59 -1.113 12.304 9.317 1.00 0.00 O ATOM 952 OE2 GLU A 59 -2.240 12.157 11.196 1.00 0.00 O ATOM 0 H GLU A 59 2.597 11.177 10.535 1.00 0.00 H new ATOM 0 HA GLU A 59 3.019 13.819 11.647 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.616 13.868 11.831 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.134 13.392 10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.657 10.984 10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.068 11.610 12.362 1.00 0.00 H new ATOM 959 N LEU A 60 2.792 11.367 13.729 1.00 0.00 N ATOM 960 CA LEU A 60 3.049 11.075 15.140 1.00 0.00 C ATOM 961 C LEU A 60 4.526 10.975 15.536 1.00 0.00 C ATOM 962 O LEU A 60 4.795 11.217 16.705 1.00 0.00 O ATOM 963 CB LEU A 60 2.189 9.912 15.671 1.00 0.00 C ATOM 964 CG LEU A 60 1.239 10.325 16.821 1.00 0.00 C ATOM 965 CD1 LEU A 60 1.930 10.979 18.020 1.00 0.00 C ATOM 966 CD2 LEU A 60 0.124 11.255 16.336 1.00 0.00 C ATOM 0 H LEU A 60 2.771 10.545 13.126 1.00 0.00 H new ATOM 0 HA LEU A 60 2.716 11.972 15.662 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.599 9.503 14.851 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.845 9.115 16.020 1.00 0.00 H new ATOM 0 HG LEU A 60 0.823 9.377 17.162 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.186 11.234 18.774 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.655 10.285 18.445 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.442 11.885 17.695 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.519 11.520 17.175 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.562 12.160 15.915 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.466 10.748 15.572 1.00 0.00 H new ATOM 978 N VAL A 61 5.507 10.741 14.651 1.00 0.00 N ATOM 979 CA VAL A 61 6.923 10.894 15.070 1.00 0.00 C ATOM 980 C VAL A 61 7.237 12.350 15.467 1.00 0.00 C ATOM 981 O VAL A 61 8.023 12.604 16.384 1.00 0.00 O ATOM 982 CB VAL A 61 7.912 10.291 14.053 1.00 0.00 C ATOM 983 CG1 VAL A 61 8.104 11.122 12.783 1.00 0.00 C ATOM 984 CG2 VAL A 61 9.280 10.051 14.698 1.00 0.00 C ATOM 0 H VAL A 61 5.366 10.457 13.681 1.00 0.00 H new ATOM 0 HA VAL A 61 7.066 10.300 15.973 1.00 0.00 H new ATOM 0 HB VAL A 61 7.455 9.349 13.749 1.00 0.00 H new ATOM 0 HG11 VAL A 61 8.816 10.623 12.126 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.148 11.228 12.270 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.485 12.108 13.048 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.960 9.625 13.960 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.683 10.997 15.060 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.172 9.360 15.534 1.00 0.00 H new ATOM 994 N LYS A 62 6.527 13.314 14.858 1.00 0.00 N ATOM 995 CA LYS A 62 6.439 14.709 15.322 1.00 0.00 C ATOM 996 C LYS A 62 5.811 14.862 16.705 1.00 0.00 C ATOM 997 O LYS A 62 6.392 15.498 17.585 1.00 0.00 O ATOM 998 CB LYS A 62 5.609 15.510 14.312 1.00 0.00 C ATOM 999 CG LYS A 62 5.469 17.021 14.591 1.00 0.00 C ATOM 1000 CD LYS A 62 6.779 17.826 14.651 1.00 0.00 C ATOM 1001 CE LYS A 62 7.532 17.908 13.314 1.00 0.00 C ATOM 1002 NZ LYS A 62 6.814 18.758 12.322 1.00 0.00 N ATOM 0 H LYS A 62 5.986 13.142 14.011 1.00 0.00 H new ATOM 0 HA LYS A 62 7.461 15.080 15.400 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.055 15.384 13.325 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.610 15.076 14.268 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.836 17.455 13.817 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.946 17.147 15.539 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.555 18.837 14.991 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.434 17.376 15.397 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.530 18.313 13.484 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.660 16.905 12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.355 18.787 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.871 18.358 12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.714 19.722 12.699 1.00 0.00 H new ATOM 1016 N GLU A 63 4.594 14.344 16.864 1.00 0.00 N ATOM 1017 CA GLU A 63 3.702 14.723 17.968 1.00 0.00 C ATOM 1018 C GLU A 63 3.885 13.806 19.184 1.00 0.00 C ATOM 1019 O GLU A 63 3.369 14.062 20.267 1.00 0.00 O ATOM 1020 CB GLU A 63 2.252 14.775 17.460 1.00 0.00 C ATOM 1021 CG GLU A 63 1.941 16.009 16.600 1.00 0.00 C ATOM 1022 CD GLU A 63 1.861 17.302 17.436 1.00 0.00 C ATOM 1023 OE1 GLU A 63 2.903 17.972 17.632 1.00 0.00 O ATOM 1024 OE2 GLU A 63 0.748 17.668 17.887 1.00 0.00 O ATOM 0 H GLU A 63 4.195 13.649 16.233 1.00 0.00 H new ATOM 0 HA GLU A 63 3.965 15.721 18.319 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.049 13.877 16.877 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.576 14.760 18.315 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.711 16.120 15.837 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.996 15.857 16.079 1.00 0.00 H new ATOM 1031 N GLU A 64 4.717 12.782 19.024 1.00 0.00 N ATOM 1032 CA GLU A 64 5.682 12.345 19.996 1.00 0.00 C ATOM 1033 C GLU A 64 6.595 13.497 20.439 1.00 0.00 C ATOM 1034 O GLU A 64 6.235 14.208 21.376 1.00 0.00 O ATOM 1035 CB GLU A 64 6.436 11.157 19.365 1.00 0.00 C ATOM 1036 CG GLU A 64 7.115 10.384 20.470 1.00 0.00 C ATOM 1037 CD GLU A 64 7.785 9.066 20.024 1.00 0.00 C ATOM 1038 OE1 GLU A 64 8.048 8.863 18.814 1.00 0.00 O ATOM 1039 OE2 GLU A 64 8.089 8.230 20.909 1.00 0.00 O ATOM 0 H GLU A 64 4.728 12.218 18.174 1.00 0.00 H new ATOM 0 HA GLU A 64 5.204 12.016 20.919 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.744 10.514 18.822 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.172 11.514 18.644 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.871 11.022 20.929 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.378 10.158 21.241 1.00 0.00 H new ATOM 1046 N ALA A 65 7.782 13.667 19.842 1.00 0.00 N ATOM 1047 CA ALA A 65 8.993 14.035 20.593 1.00 0.00 C ATOM 1048 C ALA A 65 8.887 15.404 21.282 1.00 0.00 C ATOM 1049 O ALA A 65 9.463 15.633 22.349 1.00 0.00 O ATOM 1050 CB ALA A 65 10.198 13.978 19.655 1.00 0.00 C ATOM 0 H ALA A 65 7.931 13.556 18.839 1.00 0.00 H new ATOM 0 HA ALA A 65 9.116 13.313 21.401 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.100 14.249 20.204 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.304 12.968 19.260 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.051 14.676 18.831 1.00 0.00 H new ATOM 1056 N LYS A 66 8.099 16.289 20.668 1.00 0.00 N ATOM 1057 CA LYS A 66 7.711 17.600 21.180 1.00 0.00 C ATOM 1058 C LYS A 66 6.986 17.594 22.535 1.00 0.00 C ATOM 1059 O LYS A 66 7.268 18.448 23.373 1.00 0.00 O ATOM 1060 CB LYS A 66 6.853 18.261 20.094 1.00 0.00 C ATOM 1061 CG LYS A 66 7.660 18.830 18.921 1.00 0.00 C ATOM 1062 CD LYS A 66 8.842 19.752 19.270 1.00 0.00 C ATOM 1063 CE LYS A 66 8.391 20.927 20.150 1.00 0.00 C ATOM 1064 NZ LYS A 66 9.545 21.613 20.785 1.00 0.00 N ATOM 0 H LYS A 66 7.694 16.098 19.752 1.00 0.00 H new ATOM 0 HA LYS A 66 8.622 18.160 21.391 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.142 17.529 19.711 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.271 19.065 20.545 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.043 17.994 18.336 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.977 19.383 18.276 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.611 19.180 19.789 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.292 20.133 18.353 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.831 21.641 19.545 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.714 20.564 20.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.201 22.400 21.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.064 20.938 21.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.179 21.982 20.047 1.00 0.00 H new ATOM 1078 N GLU A 67 5.995 16.719 22.721 1.00 0.00 N ATOM 1079 CA GLU A 67 4.767 17.073 23.442 1.00 0.00 C ATOM 1080 C GLU A 67 4.529 17.340 24.918 1.00 0.00 C ATOM 1081 O GLU A 67 3.564 18.043 25.247 1.00 0.00 O ATOM 1082 CB GLU A 67 3.580 16.464 22.715 1.00 0.00 C ATOM 1083 CG GLU A 67 2.851 15.360 23.488 1.00 0.00 C ATOM 1084 CD GLU A 67 1.325 15.413 23.278 1.00 0.00 C ATOM 1085 OE1 GLU A 67 0.830 15.191 22.147 1.00 0.00 O ATOM 1086 OE2 GLU A 67 0.581 15.627 24.265 1.00 0.00 O ATOM 0 H GLU A 67 6.018 15.757 22.382 1.00 0.00 H new ATOM 0 HA GLU A 67 4.998 18.138 23.437 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.868 17.256 22.483 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.924 16.056 21.765 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.226 14.387 23.170 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.073 15.455 24.551 1.00 0.00 H new ATOM 1093 N PRO A 68 5.412 16.926 25.801 1.00 0.00 N ATOM 1094 CA PRO A 68 6.371 15.880 25.645 1.00 0.00 C ATOM 1095 C PRO A 68 5.793 14.491 25.811 1.00 0.00 C ATOM 1096 O PRO A 68 5.728 13.912 26.893 1.00 0.00 O ATOM 1097 CB PRO A 68 7.444 16.281 26.598 1.00 0.00 C ATOM 1098 CG PRO A 68 6.635 16.786 27.777 1.00 0.00 C ATOM 1099 CD PRO A 68 5.610 17.618 27.034 1.00 0.00 C ATOM 0 HA PRO A 68 6.764 15.781 24.633 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.084 15.442 26.870 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.091 17.054 26.184 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.182 15.978 28.352 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.231 17.377 28.472 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.680 17.698 27.598 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.970 18.633 26.866 1.00 0.00 H new ATOM 1107 N ARG A 69 5.527 13.945 24.627 1.00 0.00 N ATOM 1108 CA ARG A 69 5.995 12.634 24.194 1.00 0.00 C ATOM 1109 C ARG A 69 5.687 11.431 25.076 1.00 0.00 C ATOM 1110 O ARG A 69 6.349 10.404 24.971 1.00 0.00 O ATOM 1111 CB ARG A 69 7.422 12.849 23.689 1.00 0.00 C ATOM 1112 CG ARG A 69 8.598 12.237 24.388 1.00 0.00 C ATOM 1113 CD ARG A 69 8.588 12.609 25.858 1.00 0.00 C ATOM 1114 NE ARG A 69 9.895 12.402 26.511 1.00 0.00 N ATOM 1115 CZ ARG A 69 10.953 13.194 26.473 1.00 0.00 C ATOM 1116 NH1 ARG A 69 10.988 14.293 25.770 1.00 0.00 N ATOM 1117 NH2 ARG A 69 12.021 12.890 27.154 1.00 0.00 N ATOM 0 H ARG A 69 4.962 14.419 23.922 1.00 0.00 H new ATOM 0 HA ARG A 69 5.380 12.259 23.376 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.449 12.500 22.657 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.592 13.925 23.666 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.570 11.153 24.280 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.524 12.580 23.925 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.297 13.654 25.961 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.832 12.016 26.373 1.00 0.00 H new ATOM 0 HE ARG A 69 9.994 11.546 27.057 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.176 14.572 25.219 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.827 14.873 25.771 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.042 12.040 27.717 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.837 13.502 27.124 1.00 0.00 H new ATOM 1131 N ASN A 70 4.670 11.560 25.924 1.00 0.00 N ATOM 1132 CA ASN A 70 4.353 10.622 27.001 1.00 0.00 C ATOM 1133 C ASN A 70 3.800 9.255 26.537 1.00 0.00 C ATOM 1134 O ASN A 70 3.021 8.625 27.248 1.00 0.00 O ATOM 1135 CB ASN A 70 3.417 11.336 28.003 1.00 0.00 C ATOM 1136 CG ASN A 70 3.420 10.675 29.377 1.00 0.00 C ATOM 1137 OD1 ASN A 70 4.440 10.614 30.051 1.00 0.00 O ATOM 1138 ND2 ASN A 70 2.302 10.180 29.861 1.00 0.00 N ATOM 0 H ASN A 70 4.021 12.346 25.880 1.00 0.00 H new ATOM 0 HA ASN A 70 5.289 10.348 27.488 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.724 12.377 28.103 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.401 11.340 27.607 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.292 9.752 30.787 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.444 10.224 29.311 1.00 0.00 H new ATOM 1145 N GLU A 71 4.191 8.793 25.344 1.00 0.00 N ATOM 1146 CA GLU A 71 4.091 7.447 24.803 1.00 0.00 C ATOM 1147 C GLU A 71 2.672 7.042 24.371 1.00 0.00 C ATOM 1148 O GLU A 71 2.489 6.409 23.335 1.00 0.00 O ATOM 1149 CB GLU A 71 4.803 6.506 25.782 1.00 0.00 C ATOM 1150 CG GLU A 71 5.049 5.160 25.134 1.00 0.00 C ATOM 1151 CD GLU A 71 5.746 4.180 26.097 1.00 0.00 C ATOM 1152 OE1 GLU A 71 5.047 3.459 26.851 1.00 0.00 O ATOM 1153 OE2 GLU A 71 7.000 4.115 26.103 1.00 0.00 O ATOM 0 H GLU A 71 4.629 9.422 24.671 1.00 0.00 H new ATOM 0 HA GLU A 71 4.604 7.383 23.843 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.750 6.945 26.095 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.198 6.380 26.680 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.100 4.735 24.807 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.663 5.292 24.243 1.00 0.00 H new ATOM 1160 N GLU A 72 1.656 7.532 25.073 1.00 0.00 N ATOM 1161 CA GLU A 72 0.231 7.346 24.798 1.00 0.00 C ATOM 1162 C GLU A 72 -0.143 7.868 23.405 1.00 0.00 C ATOM 1163 O GLU A 72 -0.987 7.305 22.705 1.00 0.00 O ATOM 1164 CB GLU A 72 -0.544 8.138 25.864 1.00 0.00 C ATOM 1165 CG GLU A 72 -0.437 7.549 27.278 1.00 0.00 C ATOM 1166 CD GLU A 72 -0.945 8.559 28.326 1.00 0.00 C ATOM 1167 OE1 GLU A 72 -0.208 9.524 28.651 1.00 0.00 O ATOM 1168 OE2 GLU A 72 -2.083 8.395 28.832 1.00 0.00 O ATOM 0 H GLU A 72 1.813 8.106 25.902 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.013 6.284 24.827 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.175 9.164 25.880 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.595 8.181 25.578 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.019 6.629 27.340 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.599 7.286 27.491 1.00 0.00 H new ATOM 1175 N LYS A 73 0.512 8.964 23.010 1.00 0.00 N ATOM 1176 CA LYS A 73 0.222 9.735 21.803 1.00 0.00 C ATOM 1177 C LYS A 73 0.631 8.976 20.544 1.00 0.00 C ATOM 1178 O LYS A 73 -0.179 8.767 19.643 1.00 0.00 O ATOM 1179 CB LYS A 73 0.887 11.120 21.881 1.00 0.00 C ATOM 1180 CG LYS A 73 0.916 11.784 23.268 1.00 0.00 C ATOM 1181 CD LYS A 73 -0.405 11.899 24.043 1.00 0.00 C ATOM 1182 CE LYS A 73 -1.589 12.385 23.207 1.00 0.00 C ATOM 1183 NZ LYS A 73 -1.488 13.826 22.858 1.00 0.00 N ATOM 0 H LYS A 73 1.289 9.351 23.545 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.856 9.885 21.741 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.913 11.028 21.524 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.369 11.788 21.193 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.619 11.229 23.889 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.321 12.789 23.148 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.650 10.924 24.465 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.262 12.582 24.880 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.649 11.796 22.292 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.514 12.212 23.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.279 14.089 22.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.526 14.397 23.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.588 14.002 22.367 1.00 0.00 H new ATOM 1197 N VAL A 74 1.886 8.521 20.508 1.00 0.00 N ATOM 1198 CA VAL A 74 2.419 7.687 19.419 1.00 0.00 C ATOM 1199 C VAL A 74 1.710 6.323 19.374 1.00 0.00 C ATOM 1200 O VAL A 74 1.376 5.835 18.296 1.00 0.00 O ATOM 1201 CB VAL A 74 3.952 7.601 19.444 1.00 0.00 C ATOM 1202 CG1 VAL A 74 4.459 7.056 20.767 1.00 0.00 C ATOM 1203 CG2 VAL A 74 4.514 6.777 18.282 1.00 0.00 C ATOM 0 H VAL A 74 2.569 8.721 21.238 1.00 0.00 H new ATOM 0 HA VAL A 74 2.191 8.177 18.472 1.00 0.00 H new ATOM 0 HB VAL A 74 4.313 8.623 19.327 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.548 7.009 20.748 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.138 7.711 21.577 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.056 6.056 20.927 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.602 6.749 18.348 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.121 5.762 18.333 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.220 7.233 17.337 1.00 0.00 H new ATOM 1213 N LYS A 75 1.382 5.738 20.535 1.00 0.00 N ATOM 1214 CA LYS A 75 0.617 4.483 20.666 1.00 0.00 C ATOM 1215 C LYS A 75 -0.776 4.530 20.053 1.00 0.00 C ATOM 1216 O LYS A 75 -1.140 3.623 19.305 1.00 0.00 O ATOM 1217 CB LYS A 75 0.521 4.108 22.153 1.00 0.00 C ATOM 1218 CG LYS A 75 1.793 3.398 22.641 1.00 0.00 C ATOM 1219 CD LYS A 75 2.060 2.040 21.973 1.00 0.00 C ATOM 1220 CE LYS A 75 0.830 1.123 22.026 1.00 0.00 C ATOM 1221 NZ LYS A 75 1.172 -0.282 21.680 1.00 0.00 N ATOM 0 H LYS A 75 1.648 6.134 21.437 1.00 0.00 H new ATOM 0 HA LYS A 75 1.162 3.727 20.101 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.356 5.008 22.746 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.341 3.460 22.310 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.648 4.050 22.465 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.721 3.251 23.719 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.351 2.197 20.934 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.899 1.551 22.468 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.395 1.156 23.025 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.071 1.493 21.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.315 -0.870 21.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.563 -0.317 20.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.877 -0.644 22.354 1.00 0.00 H new ATOM 1235 N GLN A 76 -1.529 5.595 20.316 1.00 0.00 N ATOM 1236 CA GLN A 76 -2.808 5.862 19.656 1.00 0.00 C ATOM 1237 C GLN A 76 -2.677 5.861 18.127 1.00 0.00 C ATOM 1238 O GLN A 76 -3.535 5.315 17.427 1.00 0.00 O ATOM 1239 CB GLN A 76 -3.354 7.199 20.178 1.00 0.00 C ATOM 1240 CG GLN A 76 -4.644 7.602 19.453 1.00 0.00 C ATOM 1241 CD GLN A 76 -5.435 8.652 20.230 1.00 0.00 C ATOM 1242 OE1 GLN A 76 -6.281 8.347 21.062 1.00 0.00 O ATOM 1243 NE2 GLN A 76 -5.196 9.927 19.999 1.00 0.00 N ATOM 0 H GLN A 76 -1.267 6.305 21.000 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.510 5.063 19.895 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.546 7.122 21.248 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.602 7.977 20.044 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.398 7.992 18.465 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.265 6.719 19.302 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.495 10.198 19.309 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.712 10.643 20.510 1.00 0.00 H new ATOM 1252 N ALA A 77 -1.586 6.424 17.603 1.00 0.00 N ATOM 1253 CA ALA A 77 -1.355 6.395 16.160 1.00 0.00 C ATOM 1254 C ALA A 77 -0.976 4.991 15.697 1.00 0.00 C ATOM 1255 O ALA A 77 -1.456 4.553 14.659 1.00 0.00 O ATOM 1256 CB ALA A 77 -0.316 7.429 15.742 1.00 0.00 C ATOM 0 H ALA A 77 -0.862 6.896 18.145 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.288 6.663 15.665 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.168 7.381 14.663 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.663 8.425 16.016 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.627 7.222 16.247 1.00 0.00 H new ATOM 1262 N LYS A 78 -0.178 4.244 16.467 1.00 0.00 N ATOM 1263 CA LYS A 78 0.232 2.882 16.100 1.00 0.00 C ATOM 1264 C LYS A 78 -0.956 1.924 15.981 1.00 0.00 C ATOM 1265 O LYS A 78 -0.975 1.094 15.078 1.00 0.00 O ATOM 1266 CB LYS A 78 1.302 2.351 17.065 1.00 0.00 C ATOM 1267 CG LYS A 78 2.214 1.336 16.350 1.00 0.00 C ATOM 1268 CD LYS A 78 2.298 -0.039 17.023 1.00 0.00 C ATOM 1269 CE LYS A 78 1.016 -0.850 16.776 1.00 0.00 C ATOM 1270 NZ LYS A 78 1.174 -2.275 17.164 1.00 0.00 N ATOM 0 H LYS A 78 0.201 4.563 17.358 1.00 0.00 H new ATOM 0 HA LYS A 78 0.677 2.937 15.106 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.899 3.179 17.448 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.824 1.879 17.923 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.856 1.204 15.329 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.218 1.755 16.284 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.159 -0.585 16.637 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.454 0.085 18.095 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.194 -0.410 17.341 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.746 -0.789 15.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.417 -2.839 16.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.098 -2.623 16.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.118 -2.361 18.199 1.00 0.00 H new ATOM 1284 N ALA A 79 -1.963 2.066 16.843 1.00 0.00 N ATOM 1285 CA ALA A 79 -3.245 1.371 16.709 1.00 0.00 C ATOM 1286 C ALA A 79 -3.972 1.700 15.386 1.00 0.00 C ATOM 1287 O ALA A 79 -4.591 0.824 14.775 1.00 0.00 O ATOM 1288 CB ALA A 79 -4.109 1.705 17.931 1.00 0.00 C ATOM 0 H ALA A 79 -1.912 2.672 17.662 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.057 0.298 16.671 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.069 1.195 17.848 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.600 1.376 18.837 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.273 2.782 17.978 1.00 0.00 H new ATOM 1294 N GLU A 80 -3.864 2.945 14.909 1.00 0.00 N ATOM 1295 CA GLU A 80 -4.368 3.347 13.592 1.00 0.00 C ATOM 1296 C GLU A 80 -3.534 2.693 12.487 1.00 0.00 C ATOM 1297 O GLU A 80 -4.093 2.009 11.633 1.00 0.00 O ATOM 1298 CB GLU A 80 -4.361 4.880 13.446 1.00 0.00 C ATOM 1299 CG GLU A 80 -5.261 5.404 12.315 1.00 0.00 C ATOM 1300 CD GLU A 80 -6.764 5.140 12.538 1.00 0.00 C ATOM 1301 OE1 GLU A 80 -7.293 5.441 13.635 1.00 0.00 O ATOM 1302 OE2 GLU A 80 -7.433 4.651 11.595 1.00 0.00 O ATOM 0 H GLU A 80 -3.423 3.704 15.428 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.399 3.007 13.498 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.681 5.326 14.388 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.339 5.213 13.267 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.103 6.477 12.206 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.956 4.940 11.377 1.00 0.00 H new ATOM 1309 N VAL A 81 -2.203 2.856 12.514 1.00 0.00 N ATOM 1310 CA VAL A 81 -1.307 2.352 11.460 1.00 0.00 C ATOM 1311 C VAL A 81 -1.365 0.829 11.322 1.00 0.00 C ATOM 1312 O VAL A 81 -1.297 0.312 10.210 1.00 0.00 O ATOM 1313 CB VAL A 81 0.147 2.871 11.558 1.00 0.00 C ATOM 1314 CG1 VAL A 81 0.312 4.278 12.138 1.00 0.00 C ATOM 1315 CG2 VAL A 81 1.152 1.941 12.249 1.00 0.00 C ATOM 0 H VAL A 81 -1.716 3.341 13.267 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.700 2.777 10.537 1.00 0.00 H new ATOM 0 HB VAL A 81 0.392 2.902 10.496 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.370 4.540 12.161 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.226 4.993 11.516 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.090 4.303 13.151 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.136 2.411 12.258 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.830 1.754 13.273 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.206 0.997 11.707 1.00 0.00 H new ATOM 1325 N GLU A 82 -1.556 0.108 12.430 1.00 0.00 N ATOM 1326 CA GLU A 82 -1.835 -1.331 12.453 1.00 0.00 C ATOM 1327 C GLU A 82 -3.111 -1.680 11.667 1.00 0.00 C ATOM 1328 O GLU A 82 -3.117 -2.644 10.900 1.00 0.00 O ATOM 1329 CB GLU A 82 -1.924 -1.805 13.913 1.00 0.00 C ATOM 1330 CG GLU A 82 -2.060 -3.328 14.044 1.00 0.00 C ATOM 1331 CD GLU A 82 -2.072 -3.755 15.524 1.00 0.00 C ATOM 1332 OE1 GLU A 82 -1.009 -3.668 16.187 1.00 0.00 O ATOM 1333 OE2 GLU A 82 -3.137 -4.182 16.034 1.00 0.00 O ATOM 0 H GLU A 82 -1.520 0.520 13.362 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.018 -1.855 11.957 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.033 -1.478 14.450 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.778 -1.327 14.392 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.979 -3.658 13.559 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.234 -3.816 13.527 1.00 0.00 H new ATOM 1340 N SER A 83 -4.174 -0.878 11.799 1.00 0.00 N ATOM 1341 CA SER A 83 -5.412 -1.059 11.031 1.00 0.00 C ATOM 1342 C SER A 83 -5.205 -0.697 9.555 1.00 0.00 C ATOM 1343 O SER A 83 -5.672 -1.415 8.670 1.00 0.00 O ATOM 1344 CB SER A 83 -6.558 -0.228 11.625 1.00 0.00 C ATOM 1345 OG SER A 83 -6.809 -0.589 12.975 1.00 0.00 O ATOM 0 H SER A 83 -4.201 -0.086 12.441 1.00 0.00 H new ATOM 0 HA SER A 83 -5.683 -2.113 11.092 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.309 0.832 11.570 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.461 -0.374 11.033 1.00 0.00 H new ATOM 0 HG SER A 83 -6.140 -0.170 13.556 1.00 0.00 H new ATOM 1351 N LYS A 84 -4.466 0.390 9.276 1.00 0.00 N ATOM 1352 CA LYS A 84 -4.150 0.843 7.910 1.00 0.00 C ATOM 1353 C LYS A 84 -3.333 -0.206 7.148 1.00 0.00 C ATOM 1354 O LYS A 84 -3.667 -0.534 6.013 1.00 0.00 O ATOM 1355 CB LYS A 84 -3.417 2.200 7.909 1.00 0.00 C ATOM 1356 CG LYS A 84 -4.049 3.424 8.599 1.00 0.00 C ATOM 1357 CD LYS A 84 -5.546 3.710 8.405 1.00 0.00 C ATOM 1358 CE LYS A 84 -6.467 2.697 9.094 1.00 0.00 C ATOM 1359 NZ LYS A 84 -7.843 3.222 9.259 1.00 0.00 N ATOM 0 H LYS A 84 -4.066 0.986 10.001 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.102 0.977 7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.441 2.040 8.366 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.241 2.471 6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.871 3.324 9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.502 4.306 8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.768 4.706 8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.768 3.721 7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.497 1.778 8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.057 2.440 10.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.506 2.429 9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.884 3.829 10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.105 3.778 8.420 1.00 0.00 H new ATOM 1373 N LYS A 85 -2.280 -0.764 7.761 1.00 0.00 N ATOM 1374 CA LYS A 85 -1.439 -1.794 7.127 1.00 0.00 C ATOM 1375 C LYS A 85 -2.181 -3.117 6.959 1.00 0.00 C ATOM 1376 O LYS A 85 -2.067 -3.737 5.903 1.00 0.00 O ATOM 1377 CB LYS A 85 -0.078 -1.926 7.832 1.00 0.00 C ATOM 1378 CG LYS A 85 -0.057 -2.774 9.111 1.00 0.00 C ATOM 1379 CD LYS A 85 1.340 -2.763 9.746 1.00 0.00 C ATOM 1380 CE LYS A 85 1.390 -3.708 10.954 1.00 0.00 C ATOM 1381 NZ LYS A 85 2.756 -3.772 11.541 1.00 0.00 N ATOM 0 H LYS A 85 -1.986 -0.517 8.706 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.214 -1.464 6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.634 -2.354 7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.279 -0.926 8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.788 -2.388 9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.348 -3.798 8.879 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.083 -3.066 9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.596 -1.751 10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.683 -3.369 11.711 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.077 -4.707 10.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.754 -4.419 12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.426 -4.118 10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.044 -2.823 11.854 1.00 0.00 H new ATOM 1395 N ALA A 86 -2.994 -3.510 7.945 1.00 0.00 N ATOM 1396 CA ALA A 86 -3.878 -4.666 7.831 1.00 0.00 C ATOM 1397 C ALA A 86 -4.818 -4.536 6.623 1.00 0.00 C ATOM 1398 O ALA A 86 -4.844 -5.433 5.785 1.00 0.00 O ATOM 1399 CB ALA A 86 -4.648 -4.868 9.142 1.00 0.00 C ATOM 0 H ALA A 86 -3.055 -3.032 8.844 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.271 -5.555 7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.305 -5.732 9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.943 -5.035 9.956 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.244 -3.980 9.354 1.00 0.00 H new ATOM 1405 N GLU A 87 -5.553 -3.426 6.477 1.00 0.00 N ATOM 1406 CA GLU A 87 -6.470 -3.262 5.336 1.00 0.00 C ATOM 1407 C GLU A 87 -5.728 -3.134 3.992 1.00 0.00 C ATOM 1408 O GLU A 87 -6.150 -3.746 3.014 1.00 0.00 O ATOM 1409 CB GLU A 87 -7.518 -2.158 5.575 1.00 0.00 C ATOM 1410 CG GLU A 87 -7.073 -0.737 5.223 1.00 0.00 C ATOM 1411 CD GLU A 87 -8.122 0.300 5.670 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -9.150 0.467 4.968 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -7.926 0.960 6.719 1.00 0.00 O ATOM 0 H GLU A 87 -5.534 -2.637 7.123 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.040 -4.188 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.409 -2.395 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.809 -2.179 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.118 -0.523 5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.915 -0.658 4.147 1.00 0.00 H new ATOM 1420 N ALA A 88 -4.593 -2.423 3.941 1.00 0.00 N ATOM 1421 CA ALA A 88 -3.741 -2.307 2.751 1.00 0.00 C ATOM 1422 C ALA A 88 -3.199 -3.661 2.262 1.00 0.00 C ATOM 1423 O ALA A 88 -3.174 -3.951 1.067 1.00 0.00 O ATOM 1424 CB ALA A 88 -2.578 -1.356 3.068 1.00 0.00 C ATOM 0 H ALA A 88 -4.235 -1.903 4.742 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.355 -1.913 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.937 -1.261 2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.972 -0.376 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.998 -1.755 3.900 1.00 0.00 H new ATOM 1430 N THR A 89 -2.758 -4.511 3.188 1.00 0.00 N ATOM 1431 CA THR A 89 -2.216 -5.847 2.881 1.00 0.00 C ATOM 1432 C THR A 89 -3.316 -6.907 2.667 1.00 0.00 C ATOM 1433 O THR A 89 -3.154 -7.818 1.852 1.00 0.00 O ATOM 1434 CB THR A 89 -1.175 -6.218 3.944 1.00 0.00 C ATOM 1435 OG1 THR A 89 -0.141 -5.243 3.897 1.00 0.00 O ATOM 1436 CG2 THR A 89 -0.512 -7.576 3.712 1.00 0.00 C ATOM 0 H THR A 89 -2.764 -4.295 4.185 1.00 0.00 H new ATOM 0 HA THR A 89 -1.708 -5.818 1.917 1.00 0.00 H new ATOM 0 HB THR A 89 -1.699 -6.261 4.899 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.379 -4.486 4.472 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.212 -7.768 4.504 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.272 -8.358 3.717 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.002 -7.572 2.748 1.00 0.00 H new ATOM 1444 N ARG A 90 -4.500 -6.757 3.277 1.00 0.00 N ATOM 1445 CA ARG A 90 -5.733 -7.455 2.842 1.00 0.00 C ATOM 1446 C ARG A 90 -6.159 -7.037 1.431 1.00 0.00 C ATOM 1447 O ARG A 90 -6.670 -7.859 0.677 1.00 0.00 O ATOM 1448 CB ARG A 90 -6.868 -7.225 3.852 1.00 0.00 C ATOM 1449 CG ARG A 90 -6.622 -8.000 5.156 1.00 0.00 C ATOM 1450 CD ARG A 90 -7.567 -7.519 6.263 1.00 0.00 C ATOM 1451 NE ARG A 90 -7.298 -8.208 7.541 1.00 0.00 N ATOM 1452 CZ ARG A 90 -7.864 -7.955 8.708 1.00 0.00 C ATOM 1453 NH1 ARG A 90 -8.775 -7.033 8.852 1.00 0.00 N ATOM 1454 NH2 ARG A 90 -7.521 -8.630 9.767 1.00 0.00 N ATOM 0 H ARG A 90 -4.637 -6.151 4.086 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.512 -8.522 2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.953 -6.160 4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.816 -7.538 3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.770 -9.066 4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.587 -7.868 5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.454 -6.443 6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.600 -7.696 5.963 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.604 -8.956 7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.072 -6.480 8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.190 -6.865 9.768 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.811 -9.359 9.699 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.962 -8.429 10.665 1.00 0.00 H new ATOM 1468 N LEU A 91 -5.881 -5.802 1.020 1.00 0.00 N ATOM 1469 CA LEU A 91 -6.033 -5.378 -0.374 1.00 0.00 C ATOM 1470 C LEU A 91 -5.067 -6.110 -1.325 1.00 0.00 C ATOM 1471 O LEU A 91 -5.439 -6.458 -2.444 1.00 0.00 O ATOM 1472 CB LEU A 91 -5.856 -3.861 -0.448 1.00 0.00 C ATOM 1473 CG LEU A 91 -6.798 -3.092 -1.376 1.00 0.00 C ATOM 1474 CD1 LEU A 91 -8.286 -3.313 -1.121 1.00 0.00 C ATOM 1475 CD2 LEU A 91 -6.518 -1.636 -1.049 1.00 0.00 C ATOM 0 H LEU A 91 -5.544 -5.066 1.641 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.034 -5.647 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.970 -3.458 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.832 -3.655 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.617 -3.415 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.868 -2.724 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.523 -4.370 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.531 -3.003 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.149 -0.997 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.734 -1.451 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.470 -1.413 -1.249 1.00 0.00 H new ATOM 1487 N GLU A 92 -3.850 -6.431 -0.872 1.00 0.00 N ATOM 1488 CA GLU A 92 -2.936 -7.321 -1.611 1.00 0.00 C ATOM 1489 C GLU A 92 -3.563 -8.695 -1.885 1.00 0.00 C ATOM 1490 O GLU A 92 -3.297 -9.311 -2.923 1.00 0.00 O ATOM 1491 CB GLU A 92 -1.573 -7.459 -0.905 1.00 0.00 C ATOM 1492 CG GLU A 92 -0.457 -6.781 -1.701 1.00 0.00 C ATOM 1493 CD GLU A 92 0.921 -7.044 -1.064 1.00 0.00 C ATOM 1494 OE1 GLU A 92 1.537 -8.099 -1.356 1.00 0.00 O ATOM 1495 OE2 GLU A 92 1.407 -6.196 -0.277 1.00 0.00 O ATOM 0 H GLU A 92 -3.469 -6.087 0.009 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.758 -6.849 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.631 -7.018 0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.336 -8.515 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.463 -7.150 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.640 -5.708 -1.747 1.00 0.00 H new ATOM 1502 N LYS A 93 -4.454 -9.155 -0.999 1.00 0.00 N ATOM 1503 CA LYS A 93 -5.188 -10.410 -1.204 1.00 0.00 C ATOM 1504 C LYS A 93 -6.255 -10.289 -2.298 1.00 0.00 C ATOM 1505 O LYS A 93 -6.422 -11.235 -3.068 1.00 0.00 O ATOM 1506 CB LYS A 93 -5.756 -10.943 0.119 1.00 0.00 C ATOM 1507 CG LYS A 93 -4.646 -11.288 1.126 1.00 0.00 C ATOM 1508 CD LYS A 93 -5.226 -11.861 2.428 1.00 0.00 C ATOM 1509 CE LYS A 93 -4.133 -12.397 3.366 1.00 0.00 C ATOM 1510 NZ LYS A 93 -3.232 -11.327 3.874 1.00 0.00 N ATOM 0 H LYS A 93 -4.685 -8.675 -0.129 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.474 -11.150 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.421 -10.197 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.357 -11.831 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.962 -12.011 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.064 -10.394 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.795 -11.086 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.924 -12.664 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.601 -12.902 4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.541 -13.143 2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.515 -11.745 4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.761 -10.860 3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.789 -10.627 4.404 1.00 0.00 H new ATOM 1524 N ILE A 94 -6.931 -9.140 -2.441 1.00 0.00 N ATOM 1525 CA ILE A 94 -7.876 -8.933 -3.556 1.00 0.00 C ATOM 1526 C ILE A 94 -7.179 -8.884 -4.922 1.00 0.00 C ATOM 1527 O ILE A 94 -7.625 -9.595 -5.822 1.00 0.00 O ATOM 1528 CB ILE A 94 -8.927 -7.826 -3.288 1.00 0.00 C ATOM 1529 CG1 ILE A 94 -10.239 -8.064 -4.077 1.00 0.00 C ATOM 1530 CG2 ILE A 94 -8.423 -6.388 -3.428 1.00 0.00 C ATOM 1531 CD1 ILE A 94 -10.327 -7.466 -5.487 1.00 0.00 C ATOM 0 H ILE A 94 -6.845 -8.345 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.492 -9.830 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 94 -9.148 -7.925 -2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.395 -9.140 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.065 -7.664 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.238 -5.695 -3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.611 -6.217 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.061 -6.227 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.296 -7.707 -5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.214 -6.383 -5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.534 -7.882 -6.109 1.00 0.00 H new ATOM 1543 N LYS A 95 -6.039 -8.188 -5.097 1.00 0.00 N ATOM 1544 CA LYS A 95 -5.290 -8.288 -6.376 1.00 0.00 C ATOM 1545 C LYS A 95 -4.860 -9.727 -6.700 1.00 0.00 C ATOM 1546 O LYS A 95 -4.885 -10.129 -7.862 1.00 0.00 O ATOM 1547 CB LYS A 95 -4.124 -7.284 -6.504 1.00 0.00 C ATOM 1548 CG LYS A 95 -2.809 -7.647 -5.791 1.00 0.00 C ATOM 1549 CD LYS A 95 -1.595 -6.921 -6.394 1.00 0.00 C ATOM 1550 CE LYS A 95 -1.150 -7.609 -7.697 1.00 0.00 C ATOM 1551 NZ LYS A 95 0.034 -6.958 -8.316 1.00 0.00 N ATOM 0 H LYS A 95 -5.624 -7.570 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.007 -7.992 -7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.909 -7.148 -7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.462 -6.321 -6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.891 -7.395 -4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.652 -8.724 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.848 -5.880 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.773 -6.918 -5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.918 -8.654 -7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.977 -7.601 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.542 -7.649 -8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.278 -6.162 -8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.667 -6.607 -7.569 1.00 0.00 H new ATOM 1565 N THR A 96 -4.513 -10.513 -5.678 1.00 0.00 N ATOM 1566 CA THR A 96 -4.144 -11.935 -5.817 1.00 0.00 C ATOM 1567 C THR A 96 -5.325 -12.784 -6.299 1.00 0.00 C ATOM 1568 O THR A 96 -5.145 -13.643 -7.163 1.00 0.00 O ATOM 1569 CB THR A 96 -3.572 -12.501 -4.505 1.00 0.00 C ATOM 1570 OG1 THR A 96 -2.464 -11.728 -4.096 1.00 0.00 O ATOM 1571 CG2 THR A 96 -3.059 -13.935 -4.647 1.00 0.00 C ATOM 0 H THR A 96 -4.478 -10.180 -4.714 1.00 0.00 H new ATOM 0 HA THR A 96 -3.364 -11.985 -6.577 1.00 0.00 H new ATOM 0 HB THR A 96 -4.392 -12.477 -3.787 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.779 -10.892 -3.693 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.668 -14.278 -3.689 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.877 -14.585 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.266 -13.965 -5.394 1.00 0.00 H new ATOM 1579 N ASP A 97 -6.544 -12.517 -5.814 1.00 0.00 N ATOM 1580 CA ASP A 97 -7.765 -13.176 -6.293 1.00 0.00 C ATOM 1581 C ASP A 97 -7.983 -12.898 -7.786 1.00 0.00 C ATOM 1582 O ASP A 97 -8.247 -13.823 -8.557 1.00 0.00 O ATOM 1583 CB ASP A 97 -8.973 -12.722 -5.459 1.00 0.00 C ATOM 1584 CG ASP A 97 -10.289 -13.310 -5.993 1.00 0.00 C ATOM 1585 OD1 ASP A 97 -10.650 -14.444 -5.598 1.00 0.00 O ATOM 1586 OD2 ASP A 97 -10.961 -12.630 -6.806 1.00 0.00 O ATOM 0 H ASP A 97 -6.712 -11.834 -5.075 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.653 -14.253 -6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -8.833 -13.026 -4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -9.032 -11.634 -5.467 1.00 0.00 H new ATOM 1591 N ARG A 98 -7.813 -11.637 -8.210 1.00 0.00 N ATOM 1592 CA ARG A 98 -7.961 -11.240 -9.622 1.00 0.00 C ATOM 1593 C ARG A 98 -6.884 -11.860 -10.515 1.00 0.00 C ATOM 1594 O ARG A 98 -7.197 -12.322 -11.612 1.00 0.00 O ATOM 1595 CB ARG A 98 -8.007 -9.710 -9.781 1.00 0.00 C ATOM 1596 CG ARG A 98 -9.016 -8.980 -8.874 1.00 0.00 C ATOM 1597 CD ARG A 98 -10.375 -9.666 -8.659 1.00 0.00 C ATOM 1598 NE ARG A 98 -11.068 -9.976 -9.925 1.00 0.00 N ATOM 1599 CZ ARG A 98 -11.769 -11.062 -10.206 1.00 0.00 C ATOM 1600 NH1 ARG A 98 -11.917 -12.056 -9.375 1.00 0.00 N ATOM 1601 NH2 ARG A 98 -12.349 -11.175 -11.367 1.00 0.00 N ATOM 0 H ARG A 98 -7.570 -10.865 -7.589 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.920 -11.636 -9.957 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.012 -9.311 -9.583 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.243 -9.477 -10.819 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.552 -8.832 -7.899 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.197 -7.991 -9.294 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.226 -10.588 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.010 -9.021 -8.051 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.999 -9.276 -10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.480 -12.020 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.470 -12.869 -9.646 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.262 -10.428 -12.056 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.890 -12.011 -11.587 1.00 0.00 H new ATOM 1615 N LYS A 99 -5.636 -11.929 -10.035 1.00 0.00 N ATOM 1616 CA LYS A 99 -4.512 -12.602 -10.711 1.00 0.00 C ATOM 1617 C LYS A 99 -4.800 -14.086 -10.982 1.00 0.00 C ATOM 1618 O LYS A 99 -4.608 -14.540 -12.111 1.00 0.00 O ATOM 1619 CB LYS A 99 -3.225 -12.390 -9.889 1.00 0.00 C ATOM 1620 CG LYS A 99 -1.952 -13.008 -10.496 1.00 0.00 C ATOM 1621 CD LYS A 99 -1.589 -12.440 -11.877 1.00 0.00 C ATOM 1622 CE LYS A 99 -0.259 -13.038 -12.354 1.00 0.00 C ATOM 1623 NZ LYS A 99 0.128 -12.519 -13.692 1.00 0.00 N ATOM 0 H LYS A 99 -5.370 -11.509 -9.144 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.373 -12.153 -11.694 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.065 -11.319 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.375 -12.809 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.118 -12.843 -9.814 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.087 -14.086 -10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.378 -12.669 -12.593 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.511 -11.354 -11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.524 -12.805 -11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.342 -14.124 -12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.031 -12.945 -13.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.608 -12.763 -14.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.232 -11.485 -13.647 1.00 0.00 H new ATOM 1637 N LYS A 100 -5.278 -14.840 -9.980 1.00 0.00 N ATOM 1638 CA LYS A 100 -5.584 -16.282 -10.120 1.00 0.00 C ATOM 1639 C LYS A 100 -6.941 -16.616 -10.768 1.00 0.00 C ATOM 1640 O LYS A 100 -7.209 -17.791 -11.021 1.00 0.00 O ATOM 1641 CB LYS A 100 -5.396 -17.017 -8.779 1.00 0.00 C ATOM 1642 CG LYS A 100 -6.531 -16.830 -7.747 1.00 0.00 C ATOM 1643 CD LYS A 100 -6.688 -18.054 -6.832 1.00 0.00 C ATOM 1644 CE LYS A 100 -7.274 -19.244 -7.612 1.00 0.00 C ATOM 1645 NZ LYS A 100 -7.305 -20.486 -6.801 1.00 0.00 N ATOM 0 H LYS A 100 -5.465 -14.472 -9.047 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.854 -16.652 -10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.286 -18.082 -8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.462 -16.680 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.327 -15.948 -7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.469 -16.646 -8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.720 -18.328 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.339 -17.806 -5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.285 -19.000 -7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.682 -19.414 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.707 -21.260 -7.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.338 -20.735 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.892 -20.334 -5.956 1.00 0.00 H new ATOM 1812 N GLU A 111 -9.477 -28.842 -16.355 1.00 0.00 N ATOM 1813 CA GLU A 111 -8.159 -28.834 -15.730 1.00 0.00 C ATOM 1814 C GLU A 111 -7.270 -27.675 -16.214 1.00 0.00 C ATOM 1815 O GLU A 111 -6.243 -27.861 -16.867 1.00 0.00 O ATOM 1816 CB GLU A 111 -7.553 -30.242 -15.866 1.00 0.00 C ATOM 1817 CG GLU A 111 -6.368 -30.505 -14.934 1.00 0.00 C ATOM 1818 CD GLU A 111 -6.820 -30.775 -13.486 1.00 0.00 C ATOM 1819 OE1 GLU A 111 -7.124 -29.803 -12.755 1.00 0.00 O ATOM 1820 OE2 GLU A 111 -6.865 -31.958 -13.070 1.00 0.00 O ATOM 0 HA GLU A 111 -8.246 -28.620 -14.665 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.329 -30.981 -15.667 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.230 -30.389 -16.897 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.801 -31.360 -15.302 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.697 -29.646 -14.950 1.00 0.00 H new ATOM 1827 N GLU A 112 -7.672 -26.439 -15.907 1.00 0.00 N ATOM 1828 CA GLU A 112 -6.896 -25.212 -16.192 1.00 0.00 C ATOM 1829 C GLU A 112 -5.544 -25.136 -15.455 1.00 0.00 C ATOM 1830 O GLU A 112 -4.673 -24.345 -15.808 1.00 0.00 O ATOM 1831 CB GLU A 112 -7.759 -23.976 -15.886 1.00 0.00 C ATOM 1832 CG GLU A 112 -8.129 -23.208 -17.163 1.00 0.00 C ATOM 1833 CD GLU A 112 -8.987 -24.057 -18.118 1.00 0.00 C ATOM 1834 OE1 GLU A 112 -10.230 -24.069 -17.950 1.00 0.00 O ATOM 1835 OE2 GLU A 112 -8.424 -24.727 -19.016 1.00 0.00 O ATOM 0 H GLU A 112 -8.562 -26.251 -15.445 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.642 -25.241 -17.252 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -8.669 -24.286 -15.372 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.219 -23.315 -15.208 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -8.672 -22.302 -16.896 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.219 -22.895 -17.675 1.00 0.00 H new ATOM 1842 N ASP A 113 -5.342 -26.019 -14.480 1.00 0.00 N ATOM 1843 CA ASP A 113 -4.095 -26.261 -13.740 1.00 0.00 C ATOM 1844 C ASP A 113 -2.855 -26.410 -14.650 1.00 0.00 C ATOM 1845 O ASP A 113 -1.756 -25.978 -14.293 1.00 0.00 O ATOM 1846 CB ASP A 113 -4.305 -27.527 -12.897 1.00 0.00 C ATOM 1847 CG ASP A 113 -3.295 -27.636 -11.750 1.00 0.00 C ATOM 1848 OD1 ASP A 113 -3.495 -26.963 -10.711 1.00 0.00 O ATOM 1849 OD2 ASP A 113 -2.293 -28.374 -11.875 1.00 0.00 O ATOM 0 H ASP A 113 -6.094 -26.629 -14.160 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.885 -25.392 -13.116 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.316 -27.526 -12.489 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.221 -28.405 -13.537 1.00 0.00 H new ATOM 1854 N LYS A 114 -3.053 -26.962 -15.857 1.00 0.00 N ATOM 1855 CA LYS A 114 -2.052 -27.151 -16.921 1.00 0.00 C ATOM 1856 C LYS A 114 -1.307 -25.876 -17.329 1.00 0.00 C ATOM 1857 O LYS A 114 -0.166 -25.960 -17.778 1.00 0.00 O ATOM 1858 CB LYS A 114 -2.737 -27.808 -18.136 1.00 0.00 C ATOM 1859 CG LYS A 114 -3.762 -26.886 -18.823 1.00 0.00 C ATOM 1860 CD LYS A 114 -4.544 -27.595 -19.938 1.00 0.00 C ATOM 1861 CE LYS A 114 -5.742 -26.727 -20.344 1.00 0.00 C ATOM 1862 NZ LYS A 114 -6.925 -26.996 -19.495 1.00 0.00 N ATOM 0 H LYS A 114 -3.971 -27.310 -16.134 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.276 -27.801 -16.517 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.977 -28.100 -18.860 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.237 -28.721 -17.814 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.462 -26.509 -18.077 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.245 -26.022 -19.241 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.897 -27.769 -20.798 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.887 -28.571 -19.594 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.471 -25.674 -20.268 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.992 -26.917 -21.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.518 -26.143 -19.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.476 -27.777 -19.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.613 -27.257 -18.538 1.00 0.00 H new ATOM 1876 N VAL A 115 -1.924 -24.702 -17.161 1.00 0.00 N ATOM 1877 CA VAL A 115 -1.365 -23.382 -17.517 1.00 0.00 C ATOM 1878 C VAL A 115 -0.016 -23.104 -16.834 1.00 0.00 C ATOM 1879 O VAL A 115 0.843 -22.442 -17.416 1.00 0.00 O ATOM 1880 CB VAL A 115 -2.413 -22.285 -17.226 1.00 0.00 C ATOM 1881 CG1 VAL A 115 -1.877 -20.856 -17.333 1.00 0.00 C ATOM 1882 CG2 VAL A 115 -3.582 -22.399 -18.218 1.00 0.00 C ATOM 0 H VAL A 115 -2.859 -24.636 -16.760 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.146 -23.379 -18.585 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.720 -22.456 -16.194 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.678 -20.150 -17.113 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.065 -20.718 -16.619 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.506 -20.681 -18.343 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.316 -21.622 -18.006 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.209 -22.278 -19.235 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.050 -23.378 -18.117 1.00 0.00 H new ATOM 1892 N LYS A 116 0.217 -23.659 -15.637 1.00 0.00 N ATOM 1893 CA LYS A 116 1.505 -23.611 -14.924 1.00 0.00 C ATOM 1894 C LYS A 116 2.666 -24.259 -15.696 1.00 0.00 C ATOM 1895 O LYS A 116 3.806 -23.811 -15.573 1.00 0.00 O ATOM 1896 CB LYS A 116 1.332 -24.276 -13.550 1.00 0.00 C ATOM 1897 CG LYS A 116 0.444 -23.429 -12.623 1.00 0.00 C ATOM 1898 CD LYS A 116 0.236 -24.080 -11.248 1.00 0.00 C ATOM 1899 CE LYS A 116 -0.729 -25.265 -11.357 1.00 0.00 C ATOM 1900 NZ LYS A 116 -0.990 -25.898 -10.042 1.00 0.00 N ATOM 0 H LYS A 116 -0.502 -24.167 -15.123 1.00 0.00 H new ATOM 0 HA LYS A 116 1.779 -22.562 -14.815 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.890 -25.264 -13.676 1.00 0.00 H new ATOM 0 HB3 LYS A 116 2.309 -24.420 -13.088 1.00 0.00 H new ATOM 0 HG2 LYS A 116 0.896 -22.446 -12.491 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -0.525 -23.273 -13.097 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.193 -24.418 -10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.159 -23.345 -10.547 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.671 -24.926 -11.788 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -0.315 -26.007 -12.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.947 -26.305 -10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.292 -26.651 -9.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.914 -25.183 -9.291 1.00 0.00 H new ATOM 1914 N GLU A 117 2.389 -25.301 -16.482 1.00 0.00 N ATOM 1915 CA GLU A 117 3.373 -26.017 -17.311 1.00 0.00 C ATOM 1916 C GLU A 117 3.360 -25.553 -18.780 1.00 0.00 C ATOM 1917 O GLU A 117 4.422 -25.376 -19.384 1.00 0.00 O ATOM 1918 CB GLU A 117 3.109 -27.532 -17.248 1.00 0.00 C ATOM 1919 CG GLU A 117 3.298 -28.109 -15.839 1.00 0.00 C ATOM 1920 CD GLU A 117 3.169 -29.644 -15.851 1.00 0.00 C ATOM 1921 OE1 GLU A 117 2.035 -30.167 -15.721 1.00 0.00 O ATOM 1922 OE2 GLU A 117 4.204 -30.344 -15.986 1.00 0.00 O ATOM 0 H GLU A 117 1.448 -25.685 -16.565 1.00 0.00 H new ATOM 0 HA GLU A 117 4.358 -25.788 -16.905 1.00 0.00 H new ATOM 0 HB2 GLU A 117 2.092 -27.734 -17.585 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.781 -28.043 -17.938 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.278 -27.826 -15.454 1.00 0.00 H new ATOM 0 HG3 GLU A 117 2.555 -27.683 -15.165 1.00 0.00 H new ATOM 1929 N LYS A 118 2.164 -25.361 -19.354 1.00 0.00 N ATOM 1930 CA LYS A 118 1.918 -25.012 -20.764 1.00 0.00 C ATOM 1931 C LYS A 118 0.883 -23.872 -20.909 1.00 0.00 C ATOM 1932 O LYS A 118 -0.290 -24.141 -21.187 1.00 0.00 O ATOM 1933 CB LYS A 118 1.591 -26.282 -21.580 1.00 0.00 C ATOM 1934 CG LYS A 118 0.513 -27.216 -20.992 1.00 0.00 C ATOM 1935 CD LYS A 118 0.285 -28.417 -21.922 1.00 0.00 C ATOM 1936 CE LYS A 118 -0.764 -29.366 -21.331 1.00 0.00 C ATOM 1937 NZ LYS A 118 -0.983 -30.548 -22.206 1.00 0.00 N ATOM 0 H LYS A 118 1.298 -25.449 -18.823 1.00 0.00 H new ATOM 0 HA LYS A 118 2.832 -24.600 -21.193 1.00 0.00 H new ATOM 0 HB2 LYS A 118 1.271 -25.975 -22.576 1.00 0.00 H new ATOM 0 HB3 LYS A 118 2.510 -26.855 -21.703 1.00 0.00 H new ATOM 0 HG2 LYS A 118 0.822 -27.564 -20.006 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -0.420 -26.668 -20.859 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -0.043 -28.068 -22.901 1.00 0.00 H new ATOM 0 HD3 LYS A 118 1.223 -28.951 -22.072 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -0.442 -29.697 -20.344 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -1.705 -28.832 -21.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -1.698 -31.170 -21.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -1.314 -30.232 -23.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -0.090 -31.070 -22.314 1.00 0.00 H new