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 73 LYS NZ :NH3+ -107:sc= 1.04 (180deg=-0.189) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.926 K(o=2,f=-3.2) USER MOD Set 2.1: A 33 ASN : amide:sc= -0.147 X(o=-0.81,f=-0.91) USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= -0.666 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= 1.23 (180deg=0.938) USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0102) USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= 1.23 (180deg=1.06) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.21) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.616 K(o=0.62,f=-0.021) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.23) USER MOD Single : A 34 TYR OH : rot 109:sc= 1.33 USER MOD Single : A 37 ASN : amide:sc= 0.601 K(o=0.6,f=0) 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+ -174:sc= 1.29 (180deg=1.22) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 82:sc= 0.748 USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.21) USER MOD Single : A 55 LYS NZ :NH3+ -157:sc= 1.29 (180deg=0.834) USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= 0.81 (180deg=-0.0874) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0.745 K(o=0.74,f=-0.052) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 164:sc= 1.3 (180deg=1.19) USER MOD Single : A 85 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1.07) USER MOD Single : A 89 THR OG1 : rot -140:sc= -0.666 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.11) USER MOD Single : A 96 THR OG1 : rot 70:sc= 1.28 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+ 163:sc= 2.09 (180deg=1.57) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 5 14.449 14.636 14.928 1.00 0.00 N ATOM 56 CA PRO A 5 13.135 14.329 14.382 1.00 0.00 C ATOM 57 C PRO A 5 12.848 15.120 13.103 1.00 0.00 C ATOM 58 O PRO A 5 12.216 14.589 12.200 1.00 0.00 O ATOM 59 CB PRO A 5 12.167 14.605 15.521 1.00 0.00 C ATOM 60 CG PRO A 5 12.827 15.750 16.277 1.00 0.00 C ATOM 61 CD PRO A 5 14.310 15.396 16.168 1.00 0.00 C ATOM 0 HA PRO A 5 13.046 13.294 14.053 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.180 14.884 15.151 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.033 13.729 16.156 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.605 16.717 15.826 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.495 15.798 17.314 1.00 0.00 H new ATOM 0 HD2 PRO A 5 14.926 16.295 16.146 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.635 14.807 17.026 1.00 0.00 H new ATOM 69 N GLU A 6 13.390 16.333 12.964 1.00 0.00 N ATOM 70 CA GLU A 6 13.352 17.133 11.735 1.00 0.00 C ATOM 71 C GLU A 6 14.123 16.435 10.602 1.00 0.00 C ATOM 72 O GLU A 6 13.681 16.397 9.454 1.00 0.00 O ATOM 73 CB GLU A 6 13.905 18.539 11.968 1.00 0.00 C ATOM 74 CG GLU A 6 13.192 19.295 13.095 1.00 0.00 C ATOM 75 CD GLU A 6 11.787 19.769 12.673 1.00 0.00 C ATOM 76 OE1 GLU A 6 11.677 20.827 12.005 1.00 0.00 O ATOM 77 OE2 GLU A 6 10.785 19.096 13.012 1.00 0.00 O ATOM 0 H GLU A 6 13.882 16.800 13.726 1.00 0.00 H new ATOM 0 HA GLU A 6 12.308 17.226 11.437 1.00 0.00 H new ATOM 0 HB2 GLU A 6 14.967 18.469 12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.819 19.113 11.045 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.109 18.649 13.969 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.792 20.156 13.390 1.00 0.00 H new ATOM 84 N LYS A 7 15.265 15.829 10.948 1.00 0.00 N ATOM 85 CA LYS A 7 16.112 15.022 10.048 1.00 0.00 C ATOM 86 C LYS A 7 15.364 13.788 9.558 1.00 0.00 C ATOM 87 O LYS A 7 15.294 13.529 8.357 1.00 0.00 O ATOM 88 CB LYS A 7 17.438 14.652 10.747 1.00 0.00 C ATOM 89 CG LYS A 7 18.109 15.785 11.524 1.00 0.00 C ATOM 90 CD LYS A 7 18.275 17.052 10.702 1.00 0.00 C ATOM 91 CE LYS A 7 19.412 16.799 9.715 1.00 0.00 C ATOM 92 NZ LYS A 7 19.943 18.060 9.133 1.00 0.00 N ATOM 0 H LYS A 7 15.642 15.886 11.894 1.00 0.00 H new ATOM 0 HA LYS A 7 16.356 15.618 9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 7 17.249 13.826 11.433 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.137 14.287 9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.518 16.009 12.412 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.088 15.452 11.869 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.352 17.292 10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.505 17.901 11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.218 16.267 10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.057 16.152 8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 20.713 17.839 8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.182 18.557 8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.307 18.668 9.895 1.00 0.00 H new ATOM 106 N LYS A 8 14.758 13.064 10.500 1.00 0.00 N ATOM 107 CA LYS A 8 13.984 11.845 10.271 1.00 0.00 C ATOM 108 C LYS A 8 12.709 12.116 9.465 1.00 0.00 C ATOM 109 O LYS A 8 12.444 11.350 8.543 1.00 0.00 O ATOM 110 CB LYS A 8 13.753 11.175 11.636 1.00 0.00 C ATOM 111 CG LYS A 8 13.053 9.807 11.611 1.00 0.00 C ATOM 112 CD LYS A 8 13.831 8.691 10.892 1.00 0.00 C ATOM 113 CE LYS A 8 13.296 8.462 9.473 1.00 0.00 C ATOM 114 NZ LYS A 8 13.945 7.295 8.826 1.00 0.00 N ATOM 0 H LYS A 8 14.795 13.323 11.486 1.00 0.00 H new ATOM 0 HA LYS A 8 14.534 11.146 9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.719 11.057 12.127 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.162 11.851 12.254 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.864 9.494 12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.082 9.921 11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.888 8.953 10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.757 7.766 11.464 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.218 8.305 9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.467 9.354 8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.387 7.002 7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.905 7.556 8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.998 6.508 9.503 1.00 0.00 H new ATOM 128 N VAL A 9 11.954 13.197 9.709 1.00 0.00 N ATOM 129 CA VAL A 9 10.801 13.539 8.858 1.00 0.00 C ATOM 130 C VAL A 9 11.186 13.990 7.455 1.00 0.00 C ATOM 131 O VAL A 9 10.455 13.713 6.517 1.00 0.00 O ATOM 132 CB VAL A 9 9.877 14.613 9.437 1.00 0.00 C ATOM 133 CG1 VAL A 9 9.192 14.123 10.705 1.00 0.00 C ATOM 134 CG2 VAL A 9 10.466 15.998 9.672 1.00 0.00 C ATOM 0 H VAL A 9 12.117 13.845 10.480 1.00 0.00 H new ATOM 0 HA VAL A 9 10.266 12.590 8.815 1.00 0.00 H new ATOM 0 HB VAL A 9 9.161 14.765 8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.542 14.907 11.094 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.597 13.238 10.479 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.945 13.873 11.452 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.699 16.654 10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.297 15.926 10.374 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.824 16.406 8.727 1.00 0.00 H new ATOM 144 N ALA A 10 12.303 14.692 7.296 1.00 0.00 N ATOM 145 CA ALA A 10 12.797 15.176 6.002 1.00 0.00 C ATOM 146 C ALA A 10 13.252 14.002 5.121 1.00 0.00 C ATOM 147 O ALA A 10 12.877 13.889 3.954 1.00 0.00 O ATOM 148 CB ALA A 10 13.928 16.185 6.232 1.00 0.00 C ATOM 0 H ALA A 10 12.907 14.948 8.077 1.00 0.00 H new ATOM 0 HA ALA A 10 11.990 15.680 5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.295 16.545 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.552 17.026 6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.741 15.702 6.774 1.00 0.00 H new ATOM 154 N GLU A 11 14.007 13.075 5.706 1.00 0.00 N ATOM 155 CA GLU A 11 14.283 11.763 5.117 1.00 0.00 C ATOM 156 C GLU A 11 12.992 10.973 4.798 1.00 0.00 C ATOM 157 O GLU A 11 12.826 10.478 3.681 1.00 0.00 O ATOM 158 CB GLU A 11 15.253 11.030 6.062 1.00 0.00 C ATOM 159 CG GLU A 11 15.267 9.517 5.880 1.00 0.00 C ATOM 160 CD GLU A 11 16.458 8.868 6.611 1.00 0.00 C ATOM 161 OE1 GLU A 11 17.597 8.909 6.087 1.00 0.00 O ATOM 162 OE2 GLU A 11 16.250 8.289 7.705 1.00 0.00 O ATOM 0 H GLU A 11 14.451 13.214 6.614 1.00 0.00 H new ATOM 0 HA GLU A 11 14.757 11.872 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.260 11.415 5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.984 11.260 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.335 9.096 6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.318 9.278 4.818 1.00 0.00 H new ATOM 169 N ALA A 12 12.046 10.875 5.736 1.00 0.00 N ATOM 170 CA ALA A 12 10.773 10.184 5.515 1.00 0.00 C ATOM 171 C ALA A 12 9.829 10.893 4.526 1.00 0.00 C ATOM 172 O ALA A 12 9.010 10.239 3.890 1.00 0.00 O ATOM 173 CB ALA A 12 10.107 9.925 6.867 1.00 0.00 C ATOM 0 H ALA A 12 12.141 11.273 6.670 1.00 0.00 H new ATOM 0 HA ALA A 12 10.996 9.236 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.158 9.411 6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.760 9.305 7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.927 10.874 7.372 1.00 0.00 H new ATOM 179 N GLU A 13 9.954 12.204 4.327 1.00 0.00 N ATOM 180 CA GLU A 13 9.186 12.985 3.350 1.00 0.00 C ATOM 181 C GLU A 13 9.556 12.550 1.929 1.00 0.00 C ATOM 182 O GLU A 13 8.720 12.463 1.034 1.00 0.00 O ATOM 183 CB GLU A 13 9.464 14.482 3.577 1.00 0.00 C ATOM 184 CG GLU A 13 8.997 15.377 2.426 1.00 0.00 C ATOM 185 CD GLU A 13 9.213 16.865 2.758 1.00 0.00 C ATOM 186 OE1 GLU A 13 10.304 17.407 2.450 1.00 0.00 O ATOM 187 OE2 GLU A 13 8.291 17.509 3.315 1.00 0.00 O ATOM 0 H GLU A 13 10.613 12.774 4.857 1.00 0.00 H new ATOM 0 HA GLU A 13 8.118 12.808 3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.970 14.799 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.534 14.625 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.543 15.121 1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.941 15.196 2.225 1.00 0.00 H new ATOM 194 N LYS A 14 10.833 12.222 1.753 1.00 0.00 N ATOM 195 CA LYS A 14 11.449 11.749 0.517 1.00 0.00 C ATOM 196 C LYS A 14 10.902 10.386 0.120 1.00 0.00 C ATOM 197 O LYS A 14 10.520 10.150 -1.025 1.00 0.00 O ATOM 198 CB LYS A 14 12.967 11.725 0.772 1.00 0.00 C ATOM 199 CG LYS A 14 13.706 12.570 -0.265 1.00 0.00 C ATOM 200 CD LYS A 14 14.933 13.258 0.360 1.00 0.00 C ATOM 201 CE LYS A 14 14.579 14.518 1.168 1.00 0.00 C ATOM 202 NZ LYS A 14 14.175 15.659 0.301 1.00 0.00 N ATOM 0 H LYS A 14 11.507 12.283 2.517 1.00 0.00 H new ATOM 0 HA LYS A 14 11.220 12.405 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.178 12.103 1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.330 10.698 0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.022 11.939 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.032 13.322 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.446 12.550 1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.632 13.527 -0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.768 14.286 1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.438 14.811 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.980 16.492 0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.944 15.879 -0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.319 15.404 -0.231 1.00 0.00 H new ATOM 216 N LYS A 15 10.765 9.516 1.115 1.00 0.00 N ATOM 217 CA LYS A 15 10.017 8.267 1.011 1.00 0.00 C ATOM 218 C LYS A 15 8.521 8.473 0.738 1.00 0.00 C ATOM 219 O LYS A 15 7.943 7.789 -0.107 1.00 0.00 O ATOM 220 CB LYS A 15 10.250 7.497 2.310 1.00 0.00 C ATOM 221 CG LYS A 15 9.454 6.198 2.364 1.00 0.00 C ATOM 222 CD LYS A 15 9.655 5.297 1.132 1.00 0.00 C ATOM 223 CE LYS A 15 11.111 4.832 1.043 1.00 0.00 C ATOM 224 NZ LYS A 15 11.365 3.994 -0.154 1.00 0.00 N ATOM 0 H LYS A 15 11.179 9.662 2.036 1.00 0.00 H new ATOM 0 HA LYS A 15 10.376 7.704 0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.312 7.274 2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.973 8.125 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.739 5.644 3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.395 6.435 2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.994 4.433 1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.384 5.841 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.767 5.702 1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.364 4.266 1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.125 3.315 0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.498 3.477 -0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.650 4.601 -0.949 1.00 0.00 H new ATOM 238 N VAL A 16 7.902 9.443 1.409 1.00 0.00 N ATOM 239 CA VAL A 16 6.478 9.815 1.233 1.00 0.00 C ATOM 240 C VAL A 16 6.187 10.224 -0.220 1.00 0.00 C ATOM 241 O VAL A 16 5.055 10.125 -0.689 1.00 0.00 O ATOM 242 CB VAL A 16 6.073 10.897 2.265 1.00 0.00 C ATOM 243 CG1 VAL A 16 5.351 12.151 1.765 1.00 0.00 C ATOM 244 CG2 VAL A 16 5.196 10.279 3.358 1.00 0.00 C ATOM 0 H VAL A 16 8.378 10.012 2.109 1.00 0.00 H new ATOM 0 HA VAL A 16 5.855 8.943 1.429 1.00 0.00 H new ATOM 0 HB VAL A 16 7.045 11.248 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.137 12.808 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.984 12.674 1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.417 11.865 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.917 11.048 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.296 9.859 2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.750 9.490 3.866 1.00 0.00 H new ATOM 254 N GLU A 17 7.228 10.623 -0.952 1.00 0.00 N ATOM 255 CA GLU A 17 7.150 11.102 -2.335 1.00 0.00 C ATOM 256 C GLU A 17 7.287 9.952 -3.342 1.00 0.00 C ATOM 257 O GLU A 17 6.562 9.930 -4.333 1.00 0.00 O ATOM 258 CB GLU A 17 8.210 12.186 -2.587 1.00 0.00 C ATOM 259 CG GLU A 17 7.818 13.575 -2.061 1.00 0.00 C ATOM 260 CD GLU A 17 6.689 14.223 -2.883 1.00 0.00 C ATOM 261 OE1 GLU A 17 6.921 14.598 -4.058 1.00 0.00 O ATOM 262 OE2 GLU A 17 5.565 14.383 -2.350 1.00 0.00 O ATOM 0 H GLU A 17 8.181 10.622 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 17 6.163 11.542 -2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.145 11.881 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.398 12.254 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.502 13.490 -1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.693 14.225 -2.076 1.00 0.00 H new ATOM 269 N GLU A 18 8.146 8.959 -3.085 1.00 0.00 N ATOM 270 CA GLU A 18 8.171 7.700 -3.853 1.00 0.00 C ATOM 271 C GLU A 18 6.840 6.937 -3.728 1.00 0.00 C ATOM 272 O GLU A 18 6.287 6.465 -4.725 1.00 0.00 O ATOM 273 CB GLU A 18 9.320 6.796 -3.384 1.00 0.00 C ATOM 274 CG GLU A 18 10.708 7.396 -3.644 1.00 0.00 C ATOM 275 CD GLU A 18 11.826 6.382 -3.336 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.758 5.696 -2.286 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.781 6.261 -4.142 1.00 0.00 O ATOM 0 H GLU A 18 8.843 9.001 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 18 8.325 7.966 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.209 6.603 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.247 5.834 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.780 7.714 -4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.842 8.286 -3.029 1.00 0.00 H new ATOM 284 N ALA A 19 6.297 6.858 -2.508 1.00 0.00 N ATOM 285 CA ALA A 19 4.973 6.302 -2.232 1.00 0.00 C ATOM 286 C ALA A 19 3.871 7.045 -3.023 1.00 0.00 C ATOM 287 O ALA A 19 3.086 6.416 -3.740 1.00 0.00 O ATOM 288 CB ALA A 19 4.780 6.313 -0.709 1.00 0.00 C ATOM 0 H ALA A 19 6.777 7.186 -1.670 1.00 0.00 H new ATOM 0 HA ALA A 19 4.893 5.272 -2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.800 5.904 -0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.554 5.706 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.848 7.337 -0.341 1.00 0.00 H new ATOM 294 N LYS A 20 3.843 8.386 -2.957 1.00 0.00 N ATOM 295 CA LYS A 20 2.921 9.239 -3.733 1.00 0.00 C ATOM 296 C LYS A 20 3.073 9.043 -5.247 1.00 0.00 C ATOM 297 O LYS A 20 2.071 8.888 -5.944 1.00 0.00 O ATOM 298 CB LYS A 20 3.128 10.703 -3.316 1.00 0.00 C ATOM 299 CG LYS A 20 2.101 11.667 -3.935 1.00 0.00 C ATOM 300 CD LYS A 20 2.421 13.131 -3.601 1.00 0.00 C ATOM 301 CE LYS A 20 2.301 13.440 -2.101 1.00 0.00 C ATOM 302 NZ LYS A 20 2.885 14.766 -1.783 1.00 0.00 N ATOM 0 H LYS A 20 4.470 8.919 -2.354 1.00 0.00 H new ATOM 0 HA LYS A 20 1.897 8.944 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.073 10.775 -2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.131 11.017 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.085 11.536 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.104 11.420 -3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.432 13.362 -3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.745 13.782 -4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.252 13.420 -1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.810 12.667 -1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.588 15.057 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.923 14.706 -1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.555 15.466 -2.477 1.00 0.00 H new ATOM 316 N LYS A 21 4.307 8.994 -5.762 1.00 0.00 N ATOM 317 CA LYS A 21 4.607 8.714 -7.178 1.00 0.00 C ATOM 318 C LYS A 21 3.976 7.396 -7.635 1.00 0.00 C ATOM 319 O LYS A 21 3.313 7.380 -8.669 1.00 0.00 O ATOM 320 CB LYS A 21 6.129 8.760 -7.415 1.00 0.00 C ATOM 321 CG LYS A 21 6.559 8.536 -8.878 1.00 0.00 C ATOM 322 CD LYS A 21 5.962 9.518 -9.904 1.00 0.00 C ATOM 323 CE LYS A 21 6.247 11.001 -9.612 1.00 0.00 C ATOM 324 NZ LYS A 21 7.689 11.342 -9.754 1.00 0.00 N ATOM 0 H LYS A 21 5.143 9.150 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 21 4.156 9.492 -7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.506 9.728 -7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.603 8.003 -6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.646 8.598 -8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.283 7.522 -9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.354 9.274 -10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.883 9.370 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.662 11.621 -10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.918 11.239 -8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.829 12.352 -9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.248 10.771 -9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.999 11.142 -10.726 1.00 0.00 H new ATOM 338 N LYS A 22 4.082 6.315 -6.851 1.00 0.00 N ATOM 339 CA LYS A 22 3.390 5.058 -7.139 1.00 0.00 C ATOM 340 C LYS A 22 1.861 5.164 -7.134 1.00 0.00 C ATOM 341 O LYS A 22 1.213 4.616 -8.021 1.00 0.00 O ATOM 342 CB LYS A 22 3.880 3.987 -6.164 1.00 0.00 C ATOM 343 CG LYS A 22 3.530 2.589 -6.668 1.00 0.00 C ATOM 344 CD LYS A 22 4.266 2.230 -7.968 1.00 0.00 C ATOM 345 CE LYS A 22 4.073 0.741 -8.200 1.00 0.00 C ATOM 346 NZ LYS A 22 4.859 0.249 -9.362 1.00 0.00 N ATOM 0 H LYS A 22 4.648 6.290 -6.003 1.00 0.00 H new ATOM 0 HA LYS A 22 3.640 4.780 -8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.959 4.072 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.430 4.148 -5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.778 1.857 -5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.455 2.525 -6.834 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.869 2.804 -8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.326 2.472 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.369 0.194 -7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.016 0.534 -8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.697 -0.771 -9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.559 0.752 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.871 0.422 -9.195 1.00 0.00 H new ATOM 360 N ALA A 23 1.260 5.895 -6.196 1.00 0.00 N ATOM 361 CA ALA A 23 -0.178 6.173 -6.263 1.00 0.00 C ATOM 362 C ALA A 23 -0.567 6.887 -7.578 1.00 0.00 C ATOM 363 O ALA A 23 -1.584 6.560 -8.190 1.00 0.00 O ATOM 364 CB ALA A 23 -0.616 6.942 -5.010 1.00 0.00 C ATOM 0 H ALA A 23 1.736 6.301 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.720 5.228 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.685 7.147 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.405 6.344 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.069 7.883 -4.951 1.00 0.00 H new ATOM 370 N GLU A 24 0.272 7.790 -8.091 1.00 0.00 N ATOM 371 CA GLU A 24 0.068 8.434 -9.389 1.00 0.00 C ATOM 372 C GLU A 24 0.335 7.495 -10.579 1.00 0.00 C ATOM 373 O GLU A 24 -0.301 7.641 -11.624 1.00 0.00 O ATOM 374 CB GLU A 24 0.925 9.706 -9.490 1.00 0.00 C ATOM 375 CG GLU A 24 0.459 10.841 -8.563 1.00 0.00 C ATOM 376 CD GLU A 24 -0.971 11.323 -8.876 1.00 0.00 C ATOM 377 OE1 GLU A 24 -1.296 11.531 -10.070 1.00 0.00 O ATOM 378 OE2 GLU A 24 -1.774 11.512 -7.931 1.00 0.00 O ATOM 0 H GLU A 24 1.119 8.097 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.986 8.704 -9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.959 9.456 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.911 10.062 -10.520 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.504 10.500 -7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.148 11.681 -8.651 1.00 0.00 H new ATOM 385 N ASP A 25 1.176 6.466 -10.427 1.00 0.00 N ATOM 386 CA ASP A 25 1.283 5.391 -11.417 1.00 0.00 C ATOM 387 C ASP A 25 -0.007 4.548 -11.512 1.00 0.00 C ATOM 388 O ASP A 25 -0.202 3.831 -12.497 1.00 0.00 O ATOM 389 CB ASP A 25 2.501 4.511 -11.109 1.00 0.00 C ATOM 390 CG ASP A 25 3.851 5.171 -11.441 1.00 0.00 C ATOM 391 OD1 ASP A 25 3.983 5.797 -12.521 1.00 0.00 O ATOM 392 OD2 ASP A 25 4.812 4.999 -10.653 1.00 0.00 O ATOM 0 H ASP A 25 1.795 6.356 -9.624 1.00 0.00 H new ATOM 0 HA ASP A 25 1.420 5.854 -12.394 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.488 4.247 -10.051 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.415 3.581 -11.671 1.00 0.00 H new ATOM 397 N GLN A 26 -0.931 4.674 -10.547 1.00 0.00 N ATOM 398 CA GLN A 26 -2.259 4.063 -10.600 1.00 0.00 C ATOM 399 C GLN A 26 -3.398 5.047 -10.913 1.00 0.00 C ATOM 400 O GLN A 26 -4.457 4.623 -11.375 1.00 0.00 O ATOM 401 CB GLN A 26 -2.504 3.263 -9.326 1.00 0.00 C ATOM 402 CG GLN A 26 -1.831 1.884 -9.384 1.00 0.00 C ATOM 403 CD GLN A 26 -0.419 1.838 -8.811 1.00 0.00 C ATOM 404 OE1 GLN A 26 0.582 1.920 -9.511 1.00 0.00 O ATOM 405 NE2 GLN A 26 -0.286 1.641 -7.517 1.00 0.00 N ATOM 0 H GLN A 26 -0.769 5.213 -9.696 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.267 3.384 -11.452 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.123 3.818 -8.469 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.576 3.139 -9.175 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.451 1.169 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.798 1.555 -10.423 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.113 1.571 -6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.644 1.558 -7.107 1.00 0.00 H new ATOM 414 N LYS A 27 -3.164 6.357 -10.776 1.00 0.00 N ATOM 415 CA LYS A 27 -3.943 7.408 -11.459 1.00 0.00 C ATOM 416 C LYS A 27 -3.872 7.211 -12.976 1.00 0.00 C ATOM 417 O LYS A 27 -4.874 7.274 -13.684 1.00 0.00 O ATOM 418 CB LYS A 27 -3.393 8.770 -11.003 1.00 0.00 C ATOM 419 CG LYS A 27 -4.302 9.981 -11.270 1.00 0.00 C ATOM 420 CD LYS A 27 -4.321 10.510 -12.716 1.00 0.00 C ATOM 421 CE LYS A 27 -2.933 10.792 -13.316 1.00 0.00 C ATOM 422 NZ LYS A 27 -2.237 11.911 -12.626 1.00 0.00 N ATOM 0 H LYS A 27 -2.421 6.726 -10.182 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.000 7.357 -11.197 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.191 8.720 -9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.438 8.940 -11.500 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.321 9.713 -10.990 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.993 10.793 -10.612 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.834 9.784 -13.347 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.908 11.428 -12.745 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.322 9.892 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.039 11.030 -14.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.490 12.289 -13.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.921 12.664 -12.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.813 11.564 -11.742 1.00 0.00 H new ATOM 436 N GLU A 28 -2.676 6.893 -13.465 1.00 0.00 N ATOM 437 CA GLU A 28 -2.480 6.334 -14.809 1.00 0.00 C ATOM 438 C GLU A 28 -3.265 5.020 -15.019 1.00 0.00 C ATOM 439 O GLU A 28 -3.995 4.896 -16.000 1.00 0.00 O ATOM 440 CB GLU A 28 -0.974 6.180 -15.085 1.00 0.00 C ATOM 441 CG GLU A 28 -0.620 5.543 -16.440 1.00 0.00 C ATOM 442 CD GLU A 28 -1.146 6.323 -17.662 1.00 0.00 C ATOM 443 OE1 GLU A 28 -1.290 7.567 -17.584 1.00 0.00 O ATOM 444 OE2 GLU A 28 -1.405 5.693 -18.714 1.00 0.00 O ATOM 0 H GLU A 28 -1.809 7.015 -12.942 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.891 7.029 -15.541 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.508 7.164 -15.031 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.535 5.576 -14.291 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.464 5.458 -16.517 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.022 4.530 -16.469 1.00 0.00 H new ATOM 451 N GLU A 29 -3.167 4.041 -14.112 1.00 0.00 N ATOM 452 CA GLU A 29 -3.872 2.752 -14.245 1.00 0.00 C ATOM 453 C GLU A 29 -5.407 2.882 -14.401 1.00 0.00 C ATOM 454 O GLU A 29 -5.970 2.273 -15.304 1.00 0.00 O ATOM 455 CB GLU A 29 -3.447 1.772 -13.138 1.00 0.00 C ATOM 456 CG GLU A 29 -3.780 0.327 -13.521 1.00 0.00 C ATOM 457 CD GLU A 29 -3.185 -0.717 -12.556 1.00 0.00 C ATOM 458 OE1 GLU A 29 -1.941 -0.749 -12.392 1.00 0.00 O ATOM 459 OE2 GLU A 29 -3.948 -1.552 -12.015 1.00 0.00 O ATOM 0 H GLU A 29 -2.600 4.115 -13.267 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.554 2.322 -15.195 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.376 1.866 -12.957 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.951 2.030 -12.207 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.863 0.208 -13.550 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.411 0.132 -14.528 1.00 0.00 H new ATOM 466 N ASP A 30 -6.092 3.721 -13.624 1.00 0.00 N ATOM 467 CA ASP A 30 -7.444 4.212 -13.800 1.00 0.00 C ATOM 468 C ASP A 30 -7.755 4.658 -15.228 1.00 0.00 C ATOM 469 O ASP A 30 -8.585 4.023 -15.878 1.00 0.00 O ATOM 470 CB ASP A 30 -7.654 5.298 -12.725 1.00 0.00 C ATOM 471 CG ASP A 30 -8.989 6.056 -12.814 1.00 0.00 C ATOM 472 OD1 ASP A 30 -9.134 6.917 -13.713 1.00 0.00 O ATOM 473 OD2 ASP A 30 -9.866 5.856 -11.943 1.00 0.00 O ATOM 0 H ASP A 30 -5.668 4.105 -12.779 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.168 3.410 -13.658 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.583 4.832 -11.742 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.840 6.019 -12.795 1.00 0.00 H new ATOM 478 N ARG A 31 -7.063 5.662 -15.778 1.00 0.00 N ATOM 479 CA ARG A 31 -7.446 6.299 -17.046 1.00 0.00 C ATOM 480 C ARG A 31 -7.089 5.414 -18.230 1.00 0.00 C ATOM 481 O ARG A 31 -7.596 5.628 -19.332 1.00 0.00 O ATOM 482 CB ARG A 31 -6.887 7.729 -17.124 1.00 0.00 C ATOM 483 CG ARG A 31 -5.364 7.811 -17.280 1.00 0.00 C ATOM 484 CD ARG A 31 -4.862 9.196 -16.869 1.00 0.00 C ATOM 485 NE ARG A 31 -3.420 9.338 -17.132 1.00 0.00 N ATOM 486 CZ ARG A 31 -2.702 10.440 -17.171 1.00 0.00 C ATOM 487 NH1 ARG A 31 -3.205 11.626 -16.971 1.00 0.00 N ATOM 488 NH2 ARG A 31 -1.432 10.332 -17.409 1.00 0.00 N ATOM 0 H ARG A 31 -6.222 6.057 -15.358 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.530 6.407 -17.088 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.353 8.242 -17.965 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.176 8.268 -16.222 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.887 7.047 -16.666 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.086 7.608 -18.314 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.412 9.962 -17.416 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.059 9.358 -15.809 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.913 8.471 -17.306 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.200 11.731 -16.773 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.603 12.449 -17.013 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.018 9.412 -17.559 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.847 11.167 -17.446 1.00 0.00 H new ATOM 502 N ARG A 32 -6.283 4.374 -17.973 1.00 0.00 N ATOM 503 CA ARG A 32 -5.961 3.314 -18.913 1.00 0.00 C ATOM 504 C ARG A 32 -6.802 2.049 -18.807 1.00 0.00 C ATOM 505 O ARG A 32 -6.969 1.349 -19.798 1.00 0.00 O ATOM 506 CB ARG A 32 -4.447 3.144 -18.996 1.00 0.00 C ATOM 507 CG ARG A 32 -3.920 1.722 -19.168 1.00 0.00 C ATOM 508 CD ARG A 32 -4.142 0.970 -17.859 1.00 0.00 C ATOM 509 NE ARG A 32 -3.035 0.045 -17.537 1.00 0.00 N ATOM 510 CZ ARG A 32 -1.855 0.349 -17.023 1.00 0.00 C ATOM 511 NH1 ARG A 32 -1.489 1.578 -16.789 1.00 0.00 N ATOM 512 NH2 ARG A 32 -1.007 -0.593 -16.729 1.00 0.00 N ATOM 0 H ARG A 32 -5.826 4.252 -17.069 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.288 3.632 -19.903 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.084 3.744 -19.831 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.009 3.561 -18.089 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.437 1.221 -19.987 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.860 1.737 -19.423 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.257 1.688 -17.047 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.073 0.407 -17.922 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.200 -0.942 -17.734 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.122 2.348 -17.003 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.569 1.769 -16.391 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.251 -1.569 -16.895 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.098 -0.355 -16.333 1.00 0.00 H new ATOM 526 N ASN A 33 -7.357 1.779 -17.633 1.00 0.00 N ATOM 527 CA ASN A 33 -8.373 0.730 -17.443 1.00 0.00 C ATOM 528 C ASN A 33 -9.800 1.273 -17.457 1.00 0.00 C ATOM 529 O ASN A 33 -10.686 0.568 -17.031 1.00 0.00 O ATOM 530 CB ASN A 33 -8.160 -0.185 -16.222 1.00 0.00 C ATOM 531 CG ASN A 33 -6.954 -1.068 -16.318 1.00 0.00 C ATOM 532 OD1 ASN A 33 -6.950 -2.209 -16.754 1.00 0.00 O ATOM 533 ND2 ASN A 33 -5.903 -0.490 -15.845 1.00 0.00 N ATOM 0 H ASN A 33 -7.120 2.279 -16.776 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.231 0.096 -18.318 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.073 0.434 -15.329 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.044 -0.809 -16.092 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.013 -0.988 -15.823 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.961 0.466 -15.493 1.00 0.00 H new ATOM 540 N TYR A 34 -10.034 2.501 -17.886 1.00 0.00 N ATOM 541 CA TYR A 34 -11.277 3.092 -18.447 1.00 0.00 C ATOM 542 C TYR A 34 -11.700 2.554 -19.821 1.00 0.00 C ATOM 543 O TYR A 34 -12.844 2.133 -19.989 1.00 0.00 O ATOM 544 CB TYR A 34 -11.184 4.624 -18.518 1.00 0.00 C ATOM 545 CG TYR A 34 -12.020 5.225 -17.465 1.00 0.00 C ATOM 546 CD1 TYR A 34 -13.417 5.219 -17.551 1.00 0.00 C ATOM 547 CD2 TYR A 34 -11.366 5.584 -16.298 1.00 0.00 C ATOM 548 CE1 TYR A 34 -14.159 5.588 -16.422 1.00 0.00 C ATOM 549 CE2 TYR A 34 -12.093 5.896 -15.173 1.00 0.00 C ATOM 550 CZ TYR A 34 -13.505 5.949 -15.217 1.00 0.00 C ATOM 551 OH TYR A 34 -14.224 6.326 -14.124 1.00 0.00 O ATOM 0 H TYR A 34 -9.290 3.198 -17.854 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.051 2.782 -17.745 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.148 4.940 -18.397 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.511 4.972 -19.498 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -13.912 4.936 -18.468 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.287 5.619 -16.272 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.238 5.598 -16.470 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.579 6.103 -14.246 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.167 5.628 -13.439 1.00 0.00 H new ATOM 561 N PRO A 35 -10.767 2.515 -20.781 1.00 0.00 N ATOM 562 CA PRO A 35 -10.731 1.632 -21.947 1.00 0.00 C ATOM 563 C PRO A 35 -11.446 0.293 -21.773 1.00 0.00 C ATOM 564 O PRO A 35 -12.226 -0.152 -22.616 1.00 0.00 O ATOM 565 CB PRO A 35 -9.226 1.463 -22.118 1.00 0.00 C ATOM 566 CG PRO A 35 -8.764 2.917 -21.982 1.00 0.00 C ATOM 567 CD PRO A 35 -9.588 3.360 -20.774 1.00 0.00 C ATOM 0 HA PRO A 35 -11.263 2.044 -22.805 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.792 0.817 -21.355 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.964 1.034 -23.085 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.692 2.996 -21.804 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.983 3.507 -22.872 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.024 3.240 -19.849 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.859 4.413 -20.848 1.00 0.00 H new ATOM 575 N THR A 36 -11.154 -0.324 -20.637 1.00 0.00 N ATOM 576 CA THR A 36 -11.646 -1.628 -20.172 1.00 0.00 C ATOM 577 C THR A 36 -12.751 -1.506 -19.113 1.00 0.00 C ATOM 578 O THR A 36 -13.627 -2.365 -19.009 1.00 0.00 O ATOM 579 CB THR A 36 -10.453 -2.418 -19.604 1.00 0.00 C ATOM 580 OG1 THR A 36 -9.326 -1.599 -19.404 1.00 0.00 O ATOM 581 CG2 THR A 36 -9.951 -3.435 -20.613 1.00 0.00 C ATOM 0 H THR A 36 -10.520 0.100 -19.960 1.00 0.00 H new ATOM 0 HA THR A 36 -12.092 -2.147 -21.021 1.00 0.00 H new ATOM 0 HB THR A 36 -10.823 -2.859 -18.679 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.591 -2.137 -19.041 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.108 -3.981 -20.190 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.752 -4.134 -20.855 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.632 -2.921 -21.520 1.00 0.00 H new ATOM 589 N ASN A 37 -12.698 -0.436 -18.320 1.00 0.00 N ATOM 590 CA ASN A 37 -13.496 -0.128 -17.135 1.00 0.00 C ATOM 591 C ASN A 37 -13.418 -1.152 -16.003 1.00 0.00 C ATOM 592 O ASN A 37 -14.399 -1.526 -15.361 1.00 0.00 O ATOM 593 CB ASN A 37 -14.782 0.624 -17.455 1.00 0.00 C ATOM 594 CG ASN A 37 -15.929 -0.201 -17.995 1.00 0.00 C ATOM 595 OD1 ASN A 37 -16.368 -0.044 -19.127 1.00 0.00 O ATOM 596 ND2 ASN A 37 -16.485 -1.083 -17.210 1.00 0.00 N ATOM 0 H ASN A 37 -12.029 0.310 -18.511 1.00 0.00 H new ATOM 0 HA ASN A 37 -12.996 0.656 -16.567 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.119 1.125 -16.547 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -14.550 1.403 -18.181 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.277 -1.633 -17.542 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.127 -1.222 -16.265 1.00 0.00 H new ATOM 603 N THR A 38 -12.155 -1.452 -15.684 1.00 0.00 N ATOM 604 CA THR A 38 -11.688 -1.935 -14.380 1.00 0.00 C ATOM 605 C THR A 38 -10.952 -0.854 -13.567 1.00 0.00 C ATOM 606 O THR A 38 -10.770 -1.040 -12.370 1.00 0.00 O ATOM 607 CB THR A 38 -10.827 -3.191 -14.564 1.00 0.00 C ATOM 608 OG1 THR A 38 -11.456 -4.012 -15.519 1.00 0.00 O ATOM 609 CG2 THR A 38 -10.639 -4.028 -13.305 1.00 0.00 C ATOM 0 H THR A 38 -11.395 -1.361 -16.359 1.00 0.00 H new ATOM 0 HA THR A 38 -12.569 -2.194 -13.792 1.00 0.00 H new ATOM 0 HB THR A 38 -9.839 -2.841 -14.863 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.923 -4.823 -15.656 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.017 -4.894 -13.533 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.154 -3.426 -12.537 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.611 -4.364 -12.943 1.00 0.00 H new ATOM 617 N TYR A 39 -10.584 0.278 -14.196 1.00 0.00 N ATOM 618 CA TYR A 39 -10.127 1.593 -13.691 1.00 0.00 C ATOM 619 C TYR A 39 -10.079 1.922 -12.180 1.00 0.00 C ATOM 620 O TYR A 39 -9.210 2.665 -11.730 1.00 0.00 O ATOM 621 CB TYR A 39 -11.074 2.648 -14.272 1.00 0.00 C ATOM 622 CG TYR A 39 -12.448 2.744 -13.629 1.00 0.00 C ATOM 623 CD1 TYR A 39 -13.410 1.752 -13.873 1.00 0.00 C ATOM 624 CD2 TYR A 39 -12.739 3.793 -12.740 1.00 0.00 C ATOM 625 CE1 TYR A 39 -14.674 1.806 -13.264 1.00 0.00 C ATOM 626 CE2 TYR A 39 -14.016 3.878 -12.149 1.00 0.00 C ATOM 627 CZ TYR A 39 -14.989 2.887 -12.409 1.00 0.00 C ATOM 628 OH TYR A 39 -16.210 2.961 -11.811 1.00 0.00 O ATOM 0 H TYR A 39 -10.602 0.295 -15.216 1.00 0.00 H new ATOM 0 HA TYR A 39 -9.079 1.577 -13.991 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.591 3.622 -14.194 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -11.207 2.442 -15.334 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -13.175 0.935 -14.539 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -11.986 4.532 -12.510 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -15.400 1.028 -13.447 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.252 4.704 -11.495 1.00 0.00 H new ATOM 0 HH TYR A 39 -16.254 3.768 -11.257 1.00 0.00 H new ATOM 638 N LYS A 40 -11.030 1.438 -11.384 1.00 0.00 N ATOM 639 CA LYS A 40 -11.240 1.707 -9.965 1.00 0.00 C ATOM 640 C LYS A 40 -10.313 0.758 -9.210 1.00 0.00 C ATOM 641 O LYS A 40 -10.708 -0.094 -8.414 1.00 0.00 O ATOM 642 CB LYS A 40 -12.762 1.530 -9.757 1.00 0.00 C ATOM 643 CG LYS A 40 -13.340 1.365 -8.354 1.00 0.00 C ATOM 644 CD LYS A 40 -12.895 2.416 -7.342 1.00 0.00 C ATOM 645 CE LYS A 40 -13.534 2.006 -6.017 1.00 0.00 C ATOM 646 NZ LYS A 40 -13.086 2.859 -4.892 1.00 0.00 N ATOM 0 H LYS A 40 -11.732 0.793 -11.747 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.988 2.701 -9.595 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.250 2.395 -10.206 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.066 0.657 -10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -14.428 1.386 -8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.063 0.380 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.808 2.446 -7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.220 3.412 -7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.619 2.064 -6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.287 0.966 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.464 2.483 -3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.047 2.865 -4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.432 3.829 -5.033 1.00 0.00 H new ATOM 660 N THR A 41 -9.055 0.820 -9.629 1.00 0.00 N ATOM 661 CA THR A 41 -8.094 -0.248 -9.460 1.00 0.00 C ATOM 662 C THR A 41 -7.719 -0.302 -7.992 1.00 0.00 C ATOM 663 O THR A 41 -7.360 0.698 -7.365 1.00 0.00 O ATOM 664 CB THR A 41 -6.895 -0.112 -10.418 1.00 0.00 C ATOM 665 OG1 THR A 41 -6.209 1.107 -10.251 1.00 0.00 O ATOM 666 CG2 THR A 41 -7.352 -0.180 -11.884 1.00 0.00 C ATOM 0 H THR A 41 -8.672 1.636 -10.106 1.00 0.00 H new ATOM 0 HA THR A 41 -8.532 -1.207 -9.738 1.00 0.00 H new ATOM 0 HB THR A 41 -6.229 -0.941 -10.177 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.457 1.147 -10.878 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.487 -0.082 -12.540 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.840 -1.137 -12.069 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.053 0.630 -12.084 1.00 0.00 H new ATOM 674 N LEU A 42 -7.857 -1.493 -7.418 1.00 0.00 N ATOM 675 CA LEU A 42 -7.546 -1.699 -5.994 1.00 0.00 C ATOM 676 C LEU A 42 -6.074 -1.362 -5.752 1.00 0.00 C ATOM 677 O LEU A 42 -5.723 -0.827 -4.720 1.00 0.00 O ATOM 678 CB LEU A 42 -7.916 -3.102 -5.464 1.00 0.00 C ATOM 679 CG LEU A 42 -9.364 -3.564 -5.613 1.00 0.00 C ATOM 680 CD1 LEU A 42 -10.316 -2.543 -5.031 1.00 0.00 C ATOM 681 CD2 LEU A 42 -9.752 -3.859 -7.055 1.00 0.00 C ATOM 0 H LEU A 42 -8.179 -2.329 -7.906 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.178 -1.022 -5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.280 -3.829 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.661 -3.137 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.440 -4.499 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.341 -2.893 -5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.099 -2.405 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.195 -1.594 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.792 -4.182 -7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.630 -2.958 -7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.112 -4.648 -7.450 1.00 0.00 H new ATOM 693 N GLU A 43 -5.254 -1.560 -6.777 1.00 0.00 N ATOM 694 CA GLU A 43 -3.897 -1.060 -6.990 1.00 0.00 C ATOM 695 C GLU A 43 -3.682 0.436 -6.654 1.00 0.00 C ATOM 696 O GLU A 43 -2.658 0.782 -6.058 1.00 0.00 O ATOM 697 CB GLU A 43 -3.613 -1.386 -8.464 1.00 0.00 C ATOM 698 CG GLU A 43 -2.175 -1.741 -8.809 1.00 0.00 C ATOM 699 CD GLU A 43 -1.610 -2.896 -7.964 1.00 0.00 C ATOM 700 OE1 GLU A 43 -2.098 -4.041 -8.118 1.00 0.00 O ATOM 701 OE2 GLU A 43 -0.683 -2.665 -7.152 1.00 0.00 O ATOM 0 H GLU A 43 -5.553 -2.136 -7.564 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.199 -1.536 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.252 -2.218 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.908 -0.528 -9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.118 -2.011 -9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.548 -0.860 -8.671 1.00 0.00 H new ATOM 708 N LEU A 44 -4.615 1.334 -7.006 1.00 0.00 N ATOM 709 CA LEU A 44 -4.616 2.735 -6.561 1.00 0.00 C ATOM 710 C LEU A 44 -4.742 2.830 -5.036 1.00 0.00 C ATOM 711 O LEU A 44 -3.922 3.467 -4.379 1.00 0.00 O ATOM 712 CB LEU A 44 -5.772 3.494 -7.245 1.00 0.00 C ATOM 713 CG LEU A 44 -5.762 5.009 -6.961 1.00 0.00 C ATOM 714 CD1 LEU A 44 -4.792 5.760 -7.861 1.00 0.00 C ATOM 715 CD2 LEU A 44 -7.152 5.590 -7.201 1.00 0.00 C ATOM 0 H LEU A 44 -5.400 1.104 -7.616 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.667 3.191 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.716 3.333 -8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.721 3.075 -6.909 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.451 5.130 -5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.822 6.823 -7.622 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.782 5.381 -7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.076 5.615 -8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.139 6.661 -6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.443 5.420 -8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.869 5.105 -6.539 1.00 0.00 H new ATOM 727 N GLU A 45 -5.779 2.215 -4.468 1.00 0.00 N ATOM 728 CA GLU A 45 -6.090 2.336 -3.035 1.00 0.00 C ATOM 729 C GLU A 45 -5.132 1.549 -2.123 1.00 0.00 C ATOM 730 O GLU A 45 -4.876 1.982 -1.002 1.00 0.00 O ATOM 731 CB GLU A 45 -7.563 1.996 -2.790 1.00 0.00 C ATOM 732 CG GLU A 45 -8.445 3.169 -3.219 1.00 0.00 C ATOM 733 CD GLU A 45 -9.927 2.772 -3.272 1.00 0.00 C ATOM 734 OE1 GLU A 45 -10.624 2.819 -2.230 1.00 0.00 O ATOM 735 OE2 GLU A 45 -10.421 2.440 -4.374 1.00 0.00 O ATOM 0 H GLU A 45 -6.428 1.620 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.927 3.376 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.836 1.101 -3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.724 1.775 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.314 3.997 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.128 3.524 -4.199 1.00 0.00 H new ATOM 742 N ILE A 46 -4.525 0.465 -2.616 1.00 0.00 N ATOM 743 CA ILE A 46 -3.322 -0.187 -2.060 1.00 0.00 C ATOM 744 C ILE A 46 -2.215 0.846 -1.840 1.00 0.00 C ATOM 745 O ILE A 46 -1.749 1.026 -0.713 1.00 0.00 O ATOM 746 CB ILE A 46 -2.854 -1.306 -3.025 1.00 0.00 C ATOM 747 CG1 ILE A 46 -3.748 -2.527 -2.872 1.00 0.00 C ATOM 748 CG2 ILE A 46 -1.373 -1.713 -2.876 1.00 0.00 C ATOM 749 CD1 ILE A 46 -3.656 -3.545 -4.016 1.00 0.00 C ATOM 0 H ILE A 46 -4.870 -0.008 -3.451 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.560 -0.633 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.940 -0.885 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.495 -3.029 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.782 -2.193 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.138 -2.501 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.737 -0.848 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.196 -2.077 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.329 -4.379 -3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.940 -3.066 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.633 -3.915 -4.093 1.00 0.00 H new ATOM 761 N ALA A 47 -1.807 1.532 -2.914 1.00 0.00 N ATOM 762 CA ALA A 47 -0.755 2.539 -2.864 1.00 0.00 C ATOM 763 C ALA A 47 -1.155 3.737 -1.991 1.00 0.00 C ATOM 764 O ALA A 47 -0.325 4.237 -1.242 1.00 0.00 O ATOM 765 CB ALA A 47 -0.392 2.963 -4.290 1.00 0.00 C ATOM 0 H ALA A 47 -2.203 1.399 -3.844 1.00 0.00 H new ATOM 0 HA ALA A 47 0.128 2.105 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.395 3.716 -4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.040 2.096 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.272 3.379 -4.781 1.00 0.00 H new ATOM 771 N GLU A 48 -2.413 4.181 -2.043 1.00 0.00 N ATOM 772 CA GLU A 48 -2.911 5.289 -1.215 1.00 0.00 C ATOM 773 C GLU A 48 -2.914 4.945 0.286 1.00 0.00 C ATOM 774 O GLU A 48 -2.482 5.744 1.119 1.00 0.00 O ATOM 775 CB GLU A 48 -4.306 5.714 -1.699 1.00 0.00 C ATOM 776 CG GLU A 48 -4.776 7.015 -1.035 1.00 0.00 C ATOM 777 CD GLU A 48 -6.100 7.506 -1.650 1.00 0.00 C ATOM 778 OE1 GLU A 48 -7.181 6.993 -1.271 1.00 0.00 O ATOM 779 OE2 GLU A 48 -6.071 8.419 -2.512 1.00 0.00 O ATOM 0 H GLU A 48 -3.120 3.783 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.226 6.129 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.289 5.845 -2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.021 4.920 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.906 6.854 0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.011 7.783 -1.151 1.00 0.00 H new ATOM 786 N SER A 49 -3.358 3.740 0.646 1.00 0.00 N ATOM 787 CA SER A 49 -3.351 3.252 2.025 1.00 0.00 C ATOM 788 C SER A 49 -1.926 3.041 2.556 1.00 0.00 C ATOM 789 O SER A 49 -1.610 3.528 3.639 1.00 0.00 O ATOM 790 CB SER A 49 -4.192 1.987 2.126 1.00 0.00 C ATOM 791 OG SER A 49 -5.533 2.234 1.742 1.00 0.00 O ATOM 0 H SER A 49 -3.737 3.067 -0.021 1.00 0.00 H new ATOM 0 HA SER A 49 -3.797 4.015 2.663 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.765 1.211 1.490 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.167 1.611 3.149 1.00 0.00 H new ATOM 0 HG SER A 49 -5.604 2.206 0.765 1.00 0.00 H new ATOM 797 N ASP A 50 -1.025 2.402 1.798 1.00 0.00 N ATOM 798 CA ASP A 50 0.408 2.380 2.126 1.00 0.00 C ATOM 799 C ASP A 50 1.052 3.789 2.197 1.00 0.00 C ATOM 800 O ASP A 50 1.862 4.044 3.085 1.00 0.00 O ATOM 801 CB ASP A 50 1.164 1.479 1.144 1.00 0.00 C ATOM 802 CG ASP A 50 2.584 1.197 1.651 1.00 0.00 C ATOM 803 OD1 ASP A 50 2.733 0.439 2.639 1.00 0.00 O ATOM 804 OD2 ASP A 50 3.562 1.727 1.076 1.00 0.00 O ATOM 0 H ASP A 50 -1.265 1.891 0.949 1.00 0.00 H new ATOM 0 HA ASP A 50 0.489 1.968 3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.625 0.540 1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.210 1.957 0.165 1.00 0.00 H new ATOM 809 N VAL A 51 0.665 4.743 1.336 1.00 0.00 N ATOM 810 CA VAL A 51 1.092 6.161 1.404 1.00 0.00 C ATOM 811 C VAL A 51 0.718 6.753 2.756 1.00 0.00 C ATOM 812 O VAL A 51 1.492 7.496 3.355 1.00 0.00 O ATOM 813 CB VAL A 51 0.494 7.001 0.246 1.00 0.00 C ATOM 814 CG1 VAL A 51 0.246 8.487 0.554 1.00 0.00 C ATOM 815 CG2 VAL A 51 1.402 6.967 -0.976 1.00 0.00 C ATOM 0 H VAL A 51 0.035 4.553 0.557 1.00 0.00 H new ATOM 0 HA VAL A 51 2.176 6.192 1.292 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.473 6.527 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.173 8.976 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.454 8.574 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.188 8.965 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.960 7.564 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.378 7.376 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.518 5.937 -1.314 1.00 0.00 H new ATOM 825 N GLU A 52 -0.448 6.398 3.281 1.00 0.00 N ATOM 826 CA GLU A 52 -0.870 6.835 4.601 1.00 0.00 C ATOM 827 C GLU A 52 -0.161 6.132 5.772 1.00 0.00 C ATOM 828 O GLU A 52 -0.087 6.718 6.849 1.00 0.00 O ATOM 829 CB GLU A 52 -2.398 6.729 4.713 1.00 0.00 C ATOM 830 CG GLU A 52 -3.109 7.895 4.022 1.00 0.00 C ATOM 831 CD GLU A 52 -4.646 7.802 4.122 1.00 0.00 C ATOM 832 OE1 GLU A 52 -5.177 7.427 5.197 1.00 0.00 O ATOM 833 OE2 GLU A 52 -5.343 8.148 3.137 1.00 0.00 O ATOM 0 H GLU A 52 -1.124 5.801 2.804 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.563 7.877 4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.729 5.790 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.683 6.703 5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.777 8.833 4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.819 7.921 2.972 1.00 0.00 H new ATOM 840 N VAL A 53 0.457 4.957 5.587 1.00 0.00 N ATOM 841 CA VAL A 53 1.404 4.397 6.580 1.00 0.00 C ATOM 842 C VAL A 53 2.615 5.321 6.689 1.00 0.00 C ATOM 843 O VAL A 53 3.093 5.644 7.778 1.00 0.00 O ATOM 844 CB VAL A 53 1.896 2.985 6.173 1.00 0.00 C ATOM 845 CG1 VAL A 53 2.895 2.350 7.149 1.00 0.00 C ATOM 846 CG2 VAL A 53 0.745 1.992 6.028 1.00 0.00 C ATOM 0 H VAL A 53 0.323 4.372 4.763 1.00 0.00 H new ATOM 0 HA VAL A 53 0.882 4.318 7.534 1.00 0.00 H new ATOM 0 HB VAL A 53 2.394 3.166 5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.184 1.364 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.780 2.982 7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.432 2.252 8.131 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.139 1.017 5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.217 1.905 6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.055 2.344 5.261 1.00 0.00 H new ATOM 856 N LYS A 54 3.070 5.779 5.522 1.00 0.00 N ATOM 857 CA LYS A 54 4.263 6.581 5.288 1.00 0.00 C ATOM 858 C LYS A 54 4.090 7.974 5.873 1.00 0.00 C ATOM 859 O LYS A 54 4.970 8.507 6.543 1.00 0.00 O ATOM 860 CB LYS A 54 4.459 6.607 3.759 1.00 0.00 C ATOM 861 CG LYS A 54 5.598 5.686 3.315 1.00 0.00 C ATOM 862 CD LYS A 54 5.111 4.231 3.299 1.00 0.00 C ATOM 863 CE LYS A 54 6.241 3.251 2.975 1.00 0.00 C ATOM 864 NZ LYS A 54 5.716 1.868 2.841 1.00 0.00 N ATOM 0 H LYS A 54 2.574 5.582 4.653 1.00 0.00 H new ATOM 0 HA LYS A 54 5.144 6.163 5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.534 6.303 3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.670 7.627 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.946 5.974 2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.446 5.788 3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.682 3.982 4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.315 4.123 2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.733 3.549 2.049 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.994 3.284 3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.496 1.222 2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.282 1.573 3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.002 1.839 2.086 1.00 0.00 H new ATOM 878 N LYS A 55 2.898 8.522 5.659 1.00 0.00 N ATOM 879 CA LYS A 55 2.396 9.756 6.244 1.00 0.00 C ATOM 880 C LYS A 55 2.341 9.713 7.768 1.00 0.00 C ATOM 881 O LYS A 55 2.860 10.604 8.438 1.00 0.00 O ATOM 882 CB LYS A 55 0.981 9.955 5.661 1.00 0.00 C ATOM 883 CG LYS A 55 0.368 11.340 5.834 1.00 0.00 C ATOM 884 CD LYS A 55 1.302 12.391 5.228 1.00 0.00 C ATOM 885 CE LYS A 55 2.191 13.039 6.299 1.00 0.00 C ATOM 886 NZ LYS A 55 1.446 13.986 7.170 1.00 0.00 N ATOM 0 H LYS A 55 2.218 8.089 5.035 1.00 0.00 H new ATOM 0 HA LYS A 55 3.067 10.581 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.015 9.726 4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.315 9.226 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.607 11.381 5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.206 11.548 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.928 11.927 4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.712 13.160 4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.636 12.259 6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.011 13.568 5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.111 14.665 7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.741 14.499 6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.964 13.457 7.925 1.00 0.00 H new ATOM 900 N ALA A 56 1.691 8.680 8.293 1.00 0.00 N ATOM 901 CA ALA A 56 1.301 8.592 9.693 1.00 0.00 C ATOM 902 C ALA A 56 2.522 8.355 10.587 1.00 0.00 C ATOM 903 O ALA A 56 2.591 8.888 11.694 1.00 0.00 O ATOM 904 CB ALA A 56 0.231 7.507 9.848 1.00 0.00 C ATOM 0 H ALA A 56 1.416 7.865 7.745 1.00 0.00 H new ATOM 0 HA ALA A 56 0.869 9.538 10.019 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.066 7.436 10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.637 7.763 9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.634 6.549 9.519 1.00 0.00 H new ATOM 910 N GLU A 57 3.517 7.607 10.099 1.00 0.00 N ATOM 911 CA GLU A 57 4.773 7.449 10.819 1.00 0.00 C ATOM 912 C GLU A 57 5.558 8.772 10.925 1.00 0.00 C ATOM 913 O GLU A 57 5.991 9.108 12.026 1.00 0.00 O ATOM 914 CB GLU A 57 5.575 6.266 10.252 1.00 0.00 C ATOM 915 CG GLU A 57 6.515 6.583 9.093 1.00 0.00 C ATOM 916 CD GLU A 57 7.179 5.306 8.541 1.00 0.00 C ATOM 917 OE1 GLU A 57 8.060 4.735 9.230 1.00 0.00 O ATOM 918 OE2 GLU A 57 6.842 4.871 7.414 1.00 0.00 O ATOM 0 H GLU A 57 3.472 7.106 9.212 1.00 0.00 H new ATOM 0 HA GLU A 57 4.554 7.192 11.855 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.163 5.832 11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.871 5.501 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.959 7.079 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.284 7.280 9.427 1.00 0.00 H new ATOM 925 N LEU A 58 5.716 9.559 9.844 1.00 0.00 N ATOM 926 CA LEU A 58 6.519 10.782 9.899 1.00 0.00 C ATOM 927 C LEU A 58 5.895 11.916 10.728 1.00 0.00 C ATOM 928 O LEU A 58 6.622 12.652 11.388 1.00 0.00 O ATOM 929 CB LEU A 58 7.057 11.178 8.517 1.00 0.00 C ATOM 930 CG LEU A 58 6.132 11.628 7.375 1.00 0.00 C ATOM 931 CD1 LEU A 58 5.610 13.049 7.570 1.00 0.00 C ATOM 932 CD2 LEU A 58 6.994 11.668 6.121 1.00 0.00 C ATOM 0 H LEU A 58 5.300 9.367 8.933 1.00 0.00 H new ATOM 0 HA LEU A 58 7.407 10.546 10.485 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.771 11.986 8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.622 10.323 8.144 1.00 0.00 H new ATOM 0 HG LEU A 58 5.283 10.946 7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.962 13.316 6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.045 13.105 8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.450 13.742 7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.387 11.983 5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.812 12.374 6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.401 10.676 5.928 1.00 0.00 H new ATOM 944 N GLU A 59 4.570 12.048 10.803 1.00 0.00 N ATOM 945 CA GLU A 59 3.971 13.028 11.710 1.00 0.00 C ATOM 946 C GLU A 59 4.165 12.651 13.184 1.00 0.00 C ATOM 947 O GLU A 59 4.417 13.540 13.995 1.00 0.00 O ATOM 948 CB GLU A 59 2.528 13.344 11.299 1.00 0.00 C ATOM 949 CG GLU A 59 1.544 12.183 11.273 1.00 0.00 C ATOM 950 CD GLU A 59 0.217 12.595 10.606 1.00 0.00 C ATOM 951 OE1 GLU A 59 0.210 12.853 9.377 1.00 0.00 O ATOM 952 OE2 GLU A 59 -0.823 12.674 11.305 1.00 0.00 O ATOM 0 H GLU A 59 3.903 11.501 10.259 1.00 0.00 H new ATOM 0 HA GLU A 59 4.510 13.971 11.613 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.140 14.101 11.981 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.550 13.791 10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.981 11.344 10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.353 11.842 12.290 1.00 0.00 H new ATOM 959 N LEU A 60 4.168 11.360 13.538 1.00 0.00 N ATOM 960 CA LEU A 60 4.520 10.903 14.875 1.00 0.00 C ATOM 961 C LEU A 60 6.025 10.849 15.168 1.00 0.00 C ATOM 962 O LEU A 60 6.370 10.942 16.343 1.00 0.00 O ATOM 963 CB LEU A 60 3.828 9.563 15.140 1.00 0.00 C ATOM 964 CG LEU A 60 2.404 9.704 15.693 1.00 0.00 C ATOM 965 CD1 LEU A 60 2.342 10.497 17.002 1.00 0.00 C ATOM 966 CD2 LEU A 60 1.408 10.354 14.732 1.00 0.00 C ATOM 0 H LEU A 60 3.924 10.605 12.897 1.00 0.00 H new ATOM 0 HA LEU A 60 4.157 11.656 15.575 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.793 8.992 14.212 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.427 8.988 15.846 1.00 0.00 H new ATOM 0 HG LEU A 60 2.116 8.666 15.857 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.308 10.561 17.340 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.942 9.994 17.761 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.732 11.501 16.838 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.429 10.412 15.207 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.749 11.358 14.479 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.336 9.756 13.824 1.00 0.00 H new ATOM 978 N VAL A 61 6.926 10.802 14.176 1.00 0.00 N ATOM 979 CA VAL A 61 8.365 11.078 14.400 1.00 0.00 C ATOM 980 C VAL A 61 8.554 12.432 15.105 1.00 0.00 C ATOM 981 O VAL A 61 9.328 12.553 16.064 1.00 0.00 O ATOM 982 CB VAL A 61 9.148 11.011 13.075 1.00 0.00 C ATOM 983 CG1 VAL A 61 10.512 11.704 13.110 1.00 0.00 C ATOM 984 CG2 VAL A 61 9.377 9.555 12.653 1.00 0.00 C ATOM 0 H VAL A 61 6.691 10.576 13.210 1.00 0.00 H new ATOM 0 HA VAL A 61 8.768 10.306 15.056 1.00 0.00 H new ATOM 0 HB VAL A 61 8.522 11.544 12.360 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.994 11.608 12.137 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.378 12.760 13.346 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.137 11.238 13.872 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.932 9.531 11.715 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.947 9.038 13.425 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.415 9.060 12.519 1.00 0.00 H new ATOM 994 N LYS A 62 7.799 13.451 14.673 1.00 0.00 N ATOM 995 CA LYS A 62 7.773 14.748 15.360 1.00 0.00 C ATOM 996 C LYS A 62 7.307 14.613 16.801 1.00 0.00 C ATOM 997 O LYS A 62 8.014 15.059 17.705 1.00 0.00 O ATOM 998 CB LYS A 62 6.863 15.761 14.669 1.00 0.00 C ATOM 999 CG LYS A 62 7.107 15.888 13.171 1.00 0.00 C ATOM 1000 CD LYS A 62 6.407 17.129 12.611 1.00 0.00 C ATOM 1001 CE LYS A 62 4.867 17.114 12.708 1.00 0.00 C ATOM 1002 NZ LYS A 62 4.336 17.619 14.007 1.00 0.00 N ATOM 0 H LYS A 62 7.198 13.401 13.850 1.00 0.00 H new ATOM 0 HA LYS A 62 8.802 15.107 15.328 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.825 15.474 14.835 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.003 16.737 15.134 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.178 15.949 12.976 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.741 14.997 12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.780 18.006 13.139 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.688 17.244 11.564 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.456 17.719 11.900 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.513 16.094 12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.436 18.114 13.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.180 16.819 14.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.021 18.277 14.430 1.00 0.00 H new ATOM 1016 N GLU A 63 6.130 14.018 17.035 1.00 0.00 N ATOM 1017 CA GLU A 63 5.552 14.045 18.370 1.00 0.00 C ATOM 1018 C GLU A 63 6.418 13.218 19.326 1.00 0.00 C ATOM 1019 O GLU A 63 6.625 13.620 20.470 1.00 0.00 O ATOM 1020 CB GLU A 63 4.100 13.553 18.348 1.00 0.00 C ATOM 1021 CG GLU A 63 3.188 14.199 17.288 1.00 0.00 C ATOM 1022 CD GLU A 63 3.200 15.743 17.270 1.00 0.00 C ATOM 1023 OE1 GLU A 63 2.389 16.366 17.997 1.00 0.00 O ATOM 1024 OE2 GLU A 63 3.964 16.342 16.471 1.00 0.00 O ATOM 0 H GLU A 63 5.577 13.526 16.333 1.00 0.00 H new ATOM 0 HA GLU A 63 5.534 15.074 18.730 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.104 12.475 18.188 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.662 13.727 19.331 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.487 13.837 16.304 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.165 13.861 17.455 1.00 0.00 H new ATOM 1031 N GLU A 64 6.988 12.100 18.848 1.00 0.00 N ATOM 1032 CA GLU A 64 7.742 11.170 19.681 1.00 0.00 C ATOM 1033 C GLU A 64 8.986 11.763 20.344 1.00 0.00 C ATOM 1034 O GLU A 64 9.386 11.335 21.428 1.00 0.00 O ATOM 1035 CB GLU A 64 8.069 9.849 18.973 1.00 0.00 C ATOM 1036 CG GLU A 64 9.277 9.823 18.040 1.00 0.00 C ATOM 1037 CD GLU A 64 9.609 8.380 17.616 1.00 0.00 C ATOM 1038 OE1 GLU A 64 9.076 7.899 16.587 1.00 0.00 O ATOM 1039 OE2 GLU A 64 10.414 7.715 18.314 1.00 0.00 O ATOM 0 H GLU A 64 6.934 11.821 17.868 1.00 0.00 H new ATOM 0 HA GLU A 64 7.051 10.947 20.494 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.220 9.087 19.738 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.193 9.552 18.396 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.073 10.429 17.157 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.138 10.267 18.540 1.00 0.00 H new ATOM 1046 N ALA A 65 9.610 12.733 19.687 1.00 0.00 N ATOM 1047 CA ALA A 65 10.880 13.285 20.165 1.00 0.00 C ATOM 1048 C ALA A 65 10.771 14.650 20.854 1.00 0.00 C ATOM 1049 O ALA A 65 11.609 14.973 21.701 1.00 0.00 O ATOM 1050 CB ALA A 65 11.854 13.314 18.990 1.00 0.00 C ATOM 0 H ALA A 65 9.263 13.155 18.826 1.00 0.00 H new ATOM 0 HA ALA A 65 11.247 12.633 20.957 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.810 13.722 19.320 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.002 12.301 18.615 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.447 13.940 18.196 1.00 0.00 H new ATOM 1056 N LYS A 66 9.761 15.454 20.507 1.00 0.00 N ATOM 1057 CA LYS A 66 9.630 16.834 20.992 1.00 0.00 C ATOM 1058 C LYS A 66 9.365 16.962 22.493 1.00 0.00 C ATOM 1059 O LYS A 66 10.035 17.747 23.163 1.00 0.00 O ATOM 1060 CB LYS A 66 8.566 17.565 20.167 1.00 0.00 C ATOM 1061 CG LYS A 66 9.061 18.035 18.797 1.00 0.00 C ATOM 1062 CD LYS A 66 10.283 18.964 18.766 1.00 0.00 C ATOM 1063 CE LYS A 66 9.991 20.252 19.544 1.00 0.00 C ATOM 1064 NZ LYS A 66 11.173 21.148 19.605 1.00 0.00 N ATOM 0 H LYS A 66 9.009 15.167 19.881 1.00 0.00 H new ATOM 0 HA LYS A 66 10.602 17.307 20.851 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.711 16.904 20.027 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.212 18.428 20.731 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.295 17.152 18.202 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.237 18.546 18.299 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.145 18.457 19.199 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.540 19.204 17.734 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.161 20.779 19.073 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.675 20.000 20.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.931 22.006 20.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.958 20.656 20.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.460 21.411 18.640 1.00 0.00 H new ATOM 1078 N GLU A 67 8.372 16.244 23.016 1.00 0.00 N ATOM 1079 CA GLU A 67 7.714 16.588 24.285 1.00 0.00 C ATOM 1080 C GLU A 67 8.388 16.420 25.637 1.00 0.00 C ATOM 1081 O GLU A 67 8.459 17.381 26.414 1.00 0.00 O ATOM 1082 CB GLU A 67 6.221 16.283 24.337 1.00 0.00 C ATOM 1083 CG GLU A 67 5.594 15.681 23.092 1.00 0.00 C ATOM 1084 CD GLU A 67 5.265 16.699 21.977 1.00 0.00 C ATOM 1085 OE1 GLU A 67 5.756 17.853 22.012 1.00 0.00 O ATOM 1086 OE2 GLU A 67 4.482 16.347 21.065 1.00 0.00 O ATOM 0 H GLU A 67 7.997 15.405 22.574 1.00 0.00 H new ATOM 0 HA GLU A 67 7.887 17.658 24.166 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.044 15.601 25.169 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.694 17.209 24.567 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.271 14.928 22.689 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.677 15.166 23.377 1.00 0.00 H new ATOM 1093 N PRO A 68 8.925 15.246 25.917 1.00 0.00 N ATOM 1094 CA PRO A 68 8.819 14.049 25.133 1.00 0.00 C ATOM 1095 C PRO A 68 7.761 13.050 25.586 1.00 0.00 C ATOM 1096 O PRO A 68 7.917 12.200 26.460 1.00 0.00 O ATOM 1097 CB PRO A 68 10.241 13.618 25.020 1.00 0.00 C ATOM 1098 CG PRO A 68 10.711 13.827 26.446 1.00 0.00 C ATOM 1099 CD PRO A 68 10.082 15.177 26.749 1.00 0.00 C ATOM 0 HA PRO A 68 8.388 14.192 24.142 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.335 12.580 24.701 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.801 14.222 24.307 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.358 13.045 27.118 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.798 13.849 26.525 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.815 15.259 27.803 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.773 15.991 26.531 1.00 0.00 H new ATOM 1107 N ARG A 69 6.695 13.181 24.800 1.00 0.00 N ATOM 1108 CA ARG A 69 5.780 12.243 24.201 1.00 0.00 C ATOM 1109 C ARG A 69 4.888 11.369 25.067 1.00 0.00 C ATOM 1110 O ARG A 69 3.837 10.922 24.615 1.00 0.00 O ATOM 1111 CB ARG A 69 6.550 11.671 23.026 1.00 0.00 C ATOM 1112 CG ARG A 69 6.902 10.208 23.068 1.00 0.00 C ATOM 1113 CD ARG A 69 7.778 9.863 24.263 1.00 0.00 C ATOM 1114 NE ARG A 69 8.390 8.518 24.175 1.00 0.00 N ATOM 1115 CZ ARG A 69 9.445 8.133 23.474 1.00 0.00 C ATOM 1116 NH1 ARG A 69 10.083 8.916 22.652 1.00 0.00 N ATOM 1117 NH2 ARG A 69 9.888 6.915 23.587 1.00 0.00 N ATOM 0 H ARG A 69 6.418 14.125 24.530 1.00 0.00 H new ATOM 0 HA ARG A 69 4.871 12.736 23.856 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.966 11.850 22.123 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.476 12.236 22.924 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.987 9.617 23.107 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.420 9.934 22.149 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.568 10.608 24.352 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.180 9.923 25.172 1.00 0.00 H new ATOM 0 HE ARG A 69 7.938 7.790 24.729 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.775 9.880 22.523 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.891 8.566 22.137 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.423 6.259 24.215 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.701 6.616 23.048 1.00 0.00 H new ATOM 1131 N ASN A 70 5.352 11.108 26.279 1.00 0.00 N ATOM 1132 CA ASN A 70 4.933 10.111 27.251 1.00 0.00 C ATOM 1133 C ASN A 70 4.486 8.737 26.706 1.00 0.00 C ATOM 1134 O ASN A 70 3.895 7.938 27.428 1.00 0.00 O ATOM 1135 CB ASN A 70 3.937 10.789 28.204 1.00 0.00 C ATOM 1136 CG ASN A 70 3.863 10.085 29.550 1.00 0.00 C ATOM 1137 OD1 ASN A 70 4.838 10.024 30.287 1.00 0.00 O ATOM 1138 ND2 ASN A 70 2.734 9.548 29.946 1.00 0.00 N ATOM 0 H ASN A 70 6.127 11.659 26.649 1.00 0.00 H new ATOM 0 HA ASN A 70 5.819 9.788 27.798 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.230 11.828 28.355 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.948 10.800 27.746 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.679 9.089 30.855 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.911 9.589 29.345 1.00 0.00 H new ATOM 1145 N GLU A 71 4.814 8.440 25.444 1.00 0.00 N ATOM 1146 CA GLU A 71 4.768 7.158 24.766 1.00 0.00 C ATOM 1147 C GLU A 71 3.357 6.581 24.520 1.00 0.00 C ATOM 1148 O GLU A 71 3.180 5.708 23.675 1.00 0.00 O ATOM 1149 CB GLU A 71 5.791 6.272 25.480 1.00 0.00 C ATOM 1150 CG GLU A 71 6.251 5.147 24.575 1.00 0.00 C ATOM 1151 CD GLU A 71 7.460 4.412 25.176 1.00 0.00 C ATOM 1152 OE1 GLU A 71 8.580 4.978 25.108 1.00 0.00 O ATOM 1153 OE2 GLU A 71 7.306 3.285 25.707 1.00 0.00 O ATOM 0 H GLU A 71 5.151 9.171 24.817 1.00 0.00 H new ATOM 0 HA GLU A 71 5.057 7.251 23.719 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.648 6.872 25.786 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.351 5.858 26.387 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.433 4.443 24.421 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.515 5.548 23.597 1.00 0.00 H new ATOM 1160 N GLU A 72 2.316 7.147 25.131 1.00 0.00 N ATOM 1161 CA GLU A 72 0.918 6.801 24.883 1.00 0.00 C ATOM 1162 C GLU A 72 0.469 7.329 23.517 1.00 0.00 C ATOM 1163 O GLU A 72 -0.241 6.652 22.775 1.00 0.00 O ATOM 1164 CB GLU A 72 0.060 7.435 25.988 1.00 0.00 C ATOM 1165 CG GLU A 72 0.300 6.834 27.379 1.00 0.00 C ATOM 1166 CD GLU A 72 -0.302 7.741 28.469 1.00 0.00 C ATOM 1167 OE1 GLU A 72 0.268 8.829 28.733 1.00 0.00 O ATOM 1168 OE2 GLU A 72 -1.345 7.375 29.066 1.00 0.00 O ATOM 0 H GLU A 72 2.426 7.880 25.832 1.00 0.00 H new ATOM 0 HA GLU A 72 0.804 5.717 24.886 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.264 8.505 26.025 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.993 7.320 25.729 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.147 5.842 27.435 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.370 6.711 27.549 1.00 0.00 H new ATOM 1175 N LYS A 73 0.875 8.561 23.186 1.00 0.00 N ATOM 1176 CA LYS A 73 0.378 9.312 22.031 1.00 0.00 C ATOM 1177 C LYS A 73 0.878 8.776 20.692 1.00 0.00 C ATOM 1178 O LYS A 73 0.106 8.600 19.752 1.00 0.00 O ATOM 1179 CB LYS A 73 0.711 10.792 22.220 1.00 0.00 C ATOM 1180 CG LYS A 73 -0.388 11.522 22.991 1.00 0.00 C ATOM 1181 CD LYS A 73 -0.784 10.970 24.369 1.00 0.00 C ATOM 1182 CE LYS A 73 -1.962 9.983 24.330 1.00 0.00 C ATOM 1183 NZ LYS A 73 -3.241 10.629 23.933 1.00 0.00 N ATOM 0 H LYS A 73 1.573 9.073 23.726 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.704 9.185 21.988 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.656 10.887 22.755 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.847 11.262 21.246 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.074 12.557 23.123 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.282 11.537 22.367 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.079 10.473 24.812 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.042 11.803 25.023 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.734 9.179 23.630 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.080 9.526 25.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.860 10.714 24.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.047 11.575 23.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.712 10.050 23.209 1.00 0.00 H new ATOM 1197 N VAL A 74 2.169 8.464 20.628 1.00 0.00 N ATOM 1198 CA VAL A 74 2.816 7.825 19.475 1.00 0.00 C ATOM 1199 C VAL A 74 2.197 6.436 19.233 1.00 0.00 C ATOM 1200 O VAL A 74 1.942 6.066 18.090 1.00 0.00 O ATOM 1201 CB VAL A 74 4.343 7.743 19.696 1.00 0.00 C ATOM 1202 CG1 VAL A 74 4.915 9.102 20.120 1.00 0.00 C ATOM 1203 CG2 VAL A 74 4.798 6.722 20.747 1.00 0.00 C ATOM 0 H VAL A 74 2.815 8.652 21.394 1.00 0.00 H new ATOM 0 HA VAL A 74 2.647 8.427 18.582 1.00 0.00 H new ATOM 0 HB VAL A 74 4.721 7.419 18.726 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.991 9.014 20.268 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.715 9.839 19.343 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.445 9.420 21.051 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.885 6.742 20.827 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.359 6.973 21.712 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.474 5.725 20.449 1.00 0.00 H new ATOM 1213 N LYS A 75 1.891 5.682 20.306 1.00 0.00 N ATOM 1214 CA LYS A 75 1.280 4.337 20.272 1.00 0.00 C ATOM 1215 C LYS A 75 -0.185 4.316 19.862 1.00 0.00 C ATOM 1216 O LYS A 75 -0.573 3.492 19.037 1.00 0.00 O ATOM 1217 CB LYS A 75 1.431 3.695 21.657 1.00 0.00 C ATOM 1218 CG LYS A 75 2.853 3.153 21.883 1.00 0.00 C ATOM 1219 CD LYS A 75 3.310 2.077 20.881 1.00 0.00 C ATOM 1220 CE LYS A 75 2.282 0.947 20.724 1.00 0.00 C ATOM 1221 NZ LYS A 75 2.826 -0.191 19.936 1.00 0.00 N ATOM 0 H LYS A 75 2.069 6.004 21.257 1.00 0.00 H new ATOM 0 HA LYS A 75 1.809 3.776 19.502 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.196 4.431 22.426 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.711 2.883 21.762 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.554 3.987 21.841 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.911 2.738 22.889 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.487 2.540 19.910 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.260 1.657 21.212 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.977 0.594 21.709 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.389 1.334 20.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.102 -0.933 19.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.093 0.140 18.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.664 -0.577 20.417 1.00 0.00 H new ATOM 1235 N GLN A 76 -0.977 5.252 20.372 1.00 0.00 N ATOM 1236 CA GLN A 76 -2.333 5.532 19.899 1.00 0.00 C ATOM 1237 C GLN A 76 -2.368 5.731 18.382 1.00 0.00 C ATOM 1238 O GLN A 76 -3.224 5.179 17.689 1.00 0.00 O ATOM 1239 CB GLN A 76 -2.822 6.782 20.646 1.00 0.00 C ATOM 1240 CG GLN A 76 -4.214 7.232 20.178 1.00 0.00 C ATOM 1241 CD GLN A 76 -4.907 8.208 21.133 1.00 0.00 C ATOM 1242 OE1 GLN A 76 -4.323 8.794 22.038 1.00 0.00 O ATOM 1243 NE2 GLN A 76 -6.197 8.421 20.976 1.00 0.00 N ATOM 0 H GLN A 76 -0.690 5.853 21.144 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.991 4.687 20.103 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.850 6.576 21.716 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.110 7.594 20.496 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.123 7.701 19.199 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.846 6.353 20.052 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.705 7.945 20.230 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.688 9.062 21.600 1.00 0.00 H new ATOM 1252 N ALA A 77 -1.395 6.471 17.857 1.00 0.00 N ATOM 1253 CA ALA A 77 -1.290 6.703 16.427 1.00 0.00 C ATOM 1254 C ALA A 77 -0.677 5.500 15.694 1.00 0.00 C ATOM 1255 O ALA A 77 -0.988 5.274 14.532 1.00 0.00 O ATOM 1256 CB ALA A 77 -0.495 7.980 16.234 1.00 0.00 C ATOM 0 H ALA A 77 -0.665 6.921 18.409 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.279 6.820 15.985 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.394 8.188 15.169 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.013 8.808 16.718 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.495 7.863 16.676 1.00 0.00 H new ATOM 1262 N LYS A 78 0.137 4.674 16.359 1.00 0.00 N ATOM 1263 CA LYS A 78 0.651 3.412 15.802 1.00 0.00 C ATOM 1264 C LYS A 78 -0.451 2.379 15.574 1.00 0.00 C ATOM 1265 O LYS A 78 -0.439 1.701 14.550 1.00 0.00 O ATOM 1266 CB LYS A 78 1.747 2.834 16.702 1.00 0.00 C ATOM 1267 CG LYS A 78 2.660 1.857 15.945 1.00 0.00 C ATOM 1268 CD LYS A 78 3.495 2.449 14.795 1.00 0.00 C ATOM 1269 CE LYS A 78 4.037 3.850 15.114 1.00 0.00 C ATOM 1270 NZ LYS A 78 5.051 4.291 14.118 1.00 0.00 N ATOM 0 H LYS A 78 0.462 4.861 17.307 1.00 0.00 H new ATOM 0 HA LYS A 78 1.075 3.647 14.826 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.347 3.647 17.111 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.288 2.320 17.547 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.342 1.402 16.663 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.042 1.056 15.540 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.329 1.782 14.577 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.882 2.498 13.895 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.213 4.563 15.133 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.481 3.850 16.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.393 5.241 14.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.850 3.625 14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.620 4.316 13.172 1.00 0.00 H new ATOM 1284 N ALA A 79 -1.433 2.302 16.472 1.00 0.00 N ATOM 1285 CA ALA A 79 -2.667 1.554 16.229 1.00 0.00 C ATOM 1286 C ALA A 79 -3.381 2.037 14.950 1.00 0.00 C ATOM 1287 O ALA A 79 -3.913 1.230 14.188 1.00 0.00 O ATOM 1288 CB ALA A 79 -3.564 1.641 17.469 1.00 0.00 C ATOM 0 H ALA A 79 -1.396 2.755 17.385 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.423 0.506 16.056 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.485 1.085 17.292 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.042 1.215 18.326 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.804 2.685 17.672 1.00 0.00 H new ATOM 1294 N GLU A 80 -3.334 3.344 14.668 1.00 0.00 N ATOM 1295 CA GLU A 80 -3.821 3.886 13.383 1.00 0.00 C ATOM 1296 C GLU A 80 -2.904 3.543 12.194 1.00 0.00 C ATOM 1297 O GLU A 80 -3.419 3.147 11.148 1.00 0.00 O ATOM 1298 CB GLU A 80 -4.098 5.397 13.447 1.00 0.00 C ATOM 1299 CG GLU A 80 -5.130 5.729 14.528 1.00 0.00 C ATOM 1300 CD GLU A 80 -5.463 7.233 14.540 1.00 0.00 C ATOM 1301 OE1 GLU A 80 -4.789 8.008 15.262 1.00 0.00 O ATOM 1302 OE2 GLU A 80 -6.412 7.651 13.832 1.00 0.00 O ATOM 0 H GLU A 80 -2.966 4.049 15.307 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.772 3.384 13.205 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.170 5.931 13.652 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.458 5.744 12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.040 5.154 14.354 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.746 5.431 15.504 1.00 0.00 H new ATOM 1309 N VAL A 81 -1.568 3.610 12.336 1.00 0.00 N ATOM 1310 CA VAL A 81 -0.601 3.189 11.294 1.00 0.00 C ATOM 1311 C VAL A 81 -0.850 1.727 10.905 1.00 0.00 C ATOM 1312 O VAL A 81 -0.825 1.371 9.727 1.00 0.00 O ATOM 1313 CB VAL A 81 0.856 3.367 11.780 1.00 0.00 C ATOM 1314 CG1 VAL A 81 1.897 2.840 10.786 1.00 0.00 C ATOM 1315 CG2 VAL A 81 1.239 4.831 12.033 1.00 0.00 C ATOM 0 H VAL A 81 -1.121 3.960 13.183 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.747 3.824 10.420 1.00 0.00 H new ATOM 0 HB VAL A 81 0.872 2.792 12.706 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.897 2.996 11.190 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.735 1.775 10.620 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.800 3.373 9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.274 4.883 12.372 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.130 5.400 11.110 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.586 5.251 12.798 1.00 0.00 H new ATOM 1325 N GLU A 82 -1.145 0.884 11.896 1.00 0.00 N ATOM 1326 CA GLU A 82 -1.502 -0.521 11.696 1.00 0.00 C ATOM 1327 C GLU A 82 -2.786 -0.686 10.864 1.00 0.00 C ATOM 1328 O GLU A 82 -2.846 -1.600 10.044 1.00 0.00 O ATOM 1329 CB GLU A 82 -1.596 -1.230 13.058 1.00 0.00 C ATOM 1330 CG GLU A 82 -1.737 -2.751 12.924 1.00 0.00 C ATOM 1331 CD GLU A 82 -1.685 -3.434 14.304 1.00 0.00 C ATOM 1332 OE1 GLU A 82 -2.750 -3.600 14.948 1.00 0.00 O ATOM 1333 OE2 GLU A 82 -0.578 -3.823 14.753 1.00 0.00 O ATOM 0 H GLU A 82 -1.142 1.164 12.877 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.713 -0.996 11.113 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.706 -1.002 13.644 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.450 -0.837 13.610 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.679 -2.990 12.431 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.939 -3.140 12.292 1.00 0.00 H new ATOM 1340 N SER A 83 -3.783 0.202 10.994 1.00 0.00 N ATOM 1341 CA SER A 83 -5.000 0.162 10.168 1.00 0.00 C ATOM 1342 C SER A 83 -4.683 0.523 8.717 1.00 0.00 C ATOM 1343 O SER A 83 -5.145 -0.160 7.800 1.00 0.00 O ATOM 1344 CB SER A 83 -6.085 1.106 10.701 1.00 0.00 C ATOM 1345 OG SER A 83 -6.522 0.693 11.986 1.00 0.00 O ATOM 0 H SER A 83 -3.769 0.965 11.671 1.00 0.00 H new ATOM 0 HA SER A 83 -5.380 -0.859 10.215 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.696 2.123 10.753 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.930 1.123 10.012 1.00 0.00 H new ATOM 0 HG SER A 83 -7.213 1.308 12.310 1.00 0.00 H new ATOM 1351 N LYS A 84 -3.844 1.551 8.506 1.00 0.00 N ATOM 1352 CA LYS A 84 -3.369 1.961 7.174 1.00 0.00 C ATOM 1353 C LYS A 84 -2.658 0.810 6.455 1.00 0.00 C ATOM 1354 O LYS A 84 -2.962 0.507 5.301 1.00 0.00 O ATOM 1355 CB LYS A 84 -2.444 3.193 7.264 1.00 0.00 C ATOM 1356 CG LYS A 84 -2.953 4.420 8.035 1.00 0.00 C ATOM 1357 CD LYS A 84 -4.430 4.742 7.795 1.00 0.00 C ATOM 1358 CE LYS A 84 -4.764 6.135 8.339 1.00 0.00 C ATOM 1359 NZ LYS A 84 -6.005 6.671 7.727 1.00 0.00 N ATOM 0 H LYS A 84 -3.473 2.126 9.262 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.247 2.235 6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.508 2.875 7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.210 3.510 6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.797 4.256 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.353 5.286 7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.651 4.698 6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.056 3.994 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.882 6.086 9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.935 6.814 8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.354 7.471 8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.803 6.993 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.729 5.925 7.700 1.00 0.00 H new ATOM 1373 N LYS A 85 -1.737 0.137 7.156 1.00 0.00 N ATOM 1374 CA LYS A 85 -0.978 -1.018 6.650 1.00 0.00 C ATOM 1375 C LYS A 85 -1.889 -2.213 6.376 1.00 0.00 C ATOM 1376 O LYS A 85 -1.842 -2.769 5.279 1.00 0.00 O ATOM 1377 CB LYS A 85 0.137 -1.353 7.655 1.00 0.00 C ATOM 1378 CG LYS A 85 1.134 -2.445 7.230 1.00 0.00 C ATOM 1379 CD LYS A 85 2.064 -2.062 6.063 1.00 0.00 C ATOM 1380 CE LYS A 85 1.484 -2.465 4.703 1.00 0.00 C ATOM 1381 NZ LYS A 85 2.408 -2.151 3.581 1.00 0.00 N ATOM 0 H LYS A 85 -1.492 0.385 8.114 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.524 -0.766 5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.697 -0.441 7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.328 -1.660 8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.747 -2.710 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.574 -3.337 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.238 -0.986 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.033 -2.543 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.268 -3.533 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.537 -1.948 4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.196 -2.770 2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.285 -1.158 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.390 -2.305 3.887 1.00 0.00 H new ATOM 1395 N ALA A 86 -2.733 -2.577 7.342 1.00 0.00 N ATOM 1396 CA ALA A 86 -3.677 -3.685 7.230 1.00 0.00 C ATOM 1397 C ALA A 86 -4.629 -3.521 6.037 1.00 0.00 C ATOM 1398 O ALA A 86 -4.766 -4.456 5.255 1.00 0.00 O ATOM 1399 CB ALA A 86 -4.448 -3.840 8.546 1.00 0.00 C ATOM 0 H ALA A 86 -2.779 -2.099 8.242 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.109 -4.596 7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.152 -4.668 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.748 -4.042 9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.993 -2.920 8.759 1.00 0.00 H new ATOM 1405 N GLU A 87 -5.267 -2.358 5.855 1.00 0.00 N ATOM 1406 CA GLU A 87 -6.195 -2.157 4.732 1.00 0.00 C ATOM 1407 C GLU A 87 -5.477 -2.106 3.370 1.00 0.00 C ATOM 1408 O GLU A 87 -5.956 -2.719 2.416 1.00 0.00 O ATOM 1409 CB GLU A 87 -7.137 -0.966 4.979 1.00 0.00 C ATOM 1410 CG GLU A 87 -6.575 0.395 4.564 1.00 0.00 C ATOM 1411 CD GLU A 87 -7.424 1.555 5.122 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -8.629 1.652 4.778 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -6.902 2.380 5.910 1.00 0.00 O ATOM 0 H GLU A 87 -5.160 -1.547 6.465 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.833 -3.039 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.068 -1.139 4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.386 -0.932 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.549 0.490 4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.541 0.459 3.476 1.00 0.00 H new ATOM 1420 N ALA A 88 -4.294 -1.478 3.280 1.00 0.00 N ATOM 1421 CA ALA A 88 -3.447 -1.531 2.082 1.00 0.00 C ATOM 1422 C ALA A 88 -3.172 -2.985 1.674 1.00 0.00 C ATOM 1423 O ALA A 88 -3.424 -3.408 0.546 1.00 0.00 O ATOM 1424 CB ALA A 88 -2.121 -0.803 2.359 1.00 0.00 C ATOM 0 H ALA A 88 -3.899 -0.920 4.037 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.969 -1.039 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.492 -0.842 1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.323 0.237 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.607 -1.287 3.189 1.00 0.00 H new ATOM 1430 N THR A 89 -2.685 -3.766 2.636 1.00 0.00 N ATOM 1431 CA THR A 89 -2.333 -5.179 2.436 1.00 0.00 C ATOM 1432 C THR A 89 -3.560 -6.088 2.239 1.00 0.00 C ATOM 1433 O THR A 89 -3.476 -7.084 1.522 1.00 0.00 O ATOM 1434 CB THR A 89 -1.411 -5.619 3.577 1.00 0.00 C ATOM 1435 OG1 THR A 89 -0.277 -4.767 3.541 1.00 0.00 O ATOM 1436 CG2 THR A 89 -0.897 -7.052 3.451 1.00 0.00 C ATOM 0 H THR A 89 -2.520 -3.437 3.587 1.00 0.00 H new ATOM 0 HA THR A 89 -1.791 -5.283 1.496 1.00 0.00 H new ATOM 0 HB THR A 89 -1.988 -5.565 4.500 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.531 -5.290 3.724 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.252 -7.283 4.299 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.741 -7.742 3.439 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.331 -7.155 2.525 1.00 0.00 H new ATOM 1444 N ARG A 90 -4.737 -5.734 2.774 1.00 0.00 N ATOM 1445 CA ARG A 90 -6.022 -6.395 2.474 1.00 0.00 C ATOM 1446 C ARG A 90 -6.459 -6.199 1.028 1.00 0.00 C ATOM 1447 O ARG A 90 -6.893 -7.157 0.398 1.00 0.00 O ATOM 1448 CB ARG A 90 -7.114 -5.913 3.441 1.00 0.00 C ATOM 1449 CG ARG A 90 -8.425 -6.685 3.238 1.00 0.00 C ATOM 1450 CD ARG A 90 -9.420 -6.393 4.368 1.00 0.00 C ATOM 1451 NE ARG A 90 -10.685 -7.132 4.180 1.00 0.00 N ATOM 1452 CZ ARG A 90 -11.747 -6.749 3.491 1.00 0.00 C ATOM 1453 NH1 ARG A 90 -11.799 -5.608 2.861 1.00 0.00 N ATOM 1454 NH2 ARG A 90 -12.795 -7.518 3.420 1.00 0.00 N ATOM 0 H ARG A 90 -4.828 -4.967 3.440 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.869 -7.465 2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.772 -6.038 4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.291 -4.848 3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.867 -6.411 2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.218 -7.755 3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.976 -6.667 5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.625 -5.323 4.406 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.747 -8.043 4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.001 -4.973 2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.638 -5.350 2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.799 -8.420 3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.612 -7.219 2.888 1.00 0.00 H new ATOM 1468 N LEU A 91 -6.323 -5.001 0.463 1.00 0.00 N ATOM 1469 CA LEU A 91 -6.605 -4.810 -0.966 1.00 0.00 C ATOM 1470 C LEU A 91 -5.626 -5.581 -1.854 1.00 0.00 C ATOM 1471 O LEU A 91 -6.015 -6.064 -2.916 1.00 0.00 O ATOM 1472 CB LEU A 91 -6.531 -3.343 -1.346 1.00 0.00 C ATOM 1473 CG LEU A 91 -7.801 -2.514 -1.220 1.00 0.00 C ATOM 1474 CD1 LEU A 91 -8.517 -2.618 0.115 1.00 0.00 C ATOM 1475 CD2 LEU A 91 -7.378 -1.076 -1.415 1.00 0.00 C ATOM 0 H LEU A 91 -6.025 -4.160 0.958 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.613 -5.191 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.763 -2.875 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.192 -3.281 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.511 -2.888 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.408 -1.990 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.806 -3.654 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.852 -2.285 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.250 -0.426 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.652 -0.803 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.927 -0.960 -2.401 1.00 0.00 H new ATOM 1487 N GLU A 92 -4.375 -5.743 -1.421 1.00 0.00 N ATOM 1488 CA GLU A 92 -3.431 -6.635 -2.099 1.00 0.00 C ATOM 1489 C GLU A 92 -3.971 -8.073 -2.158 1.00 0.00 C ATOM 1490 O GLU A 92 -3.724 -8.777 -3.139 1.00 0.00 O ATOM 1491 CB GLU A 92 -2.044 -6.578 -1.440 1.00 0.00 C ATOM 1492 CG GLU A 92 -1.160 -5.467 -2.013 1.00 0.00 C ATOM 1493 CD GLU A 92 0.255 -5.519 -1.406 1.00 0.00 C ATOM 1494 OE1 GLU A 92 1.099 -6.308 -1.897 1.00 0.00 O ATOM 1495 OE2 GLU A 92 0.539 -4.768 -0.443 1.00 0.00 O ATOM 0 H GLU A 92 -3.991 -5.268 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.319 -6.287 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.162 -6.425 -0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.544 -7.538 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.099 -5.569 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.612 -4.496 -1.809 1.00 0.00 H new ATOM 1502 N LYS A 93 -4.789 -8.497 -1.180 1.00 0.00 N ATOM 1503 CA LYS A 93 -5.497 -9.787 -1.240 1.00 0.00 C ATOM 1504 C LYS A 93 -6.626 -9.786 -2.274 1.00 0.00 C ATOM 1505 O LYS A 93 -6.881 -10.818 -2.887 1.00 0.00 O ATOM 1506 CB LYS A 93 -6.027 -10.218 0.138 1.00 0.00 C ATOM 1507 CG LYS A 93 -5.011 -10.220 1.290 1.00 0.00 C ATOM 1508 CD LYS A 93 -3.722 -11.001 0.993 1.00 0.00 C ATOM 1509 CE LYS A 93 -2.797 -10.952 2.215 1.00 0.00 C ATOM 1510 NZ LYS A 93 -1.539 -11.709 1.981 1.00 0.00 N ATOM 0 H LYS A 93 -4.977 -7.961 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.757 -10.520 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.850 -9.557 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.441 -11.222 0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.750 -9.189 1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.484 -10.645 2.175 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.960 -12.036 0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.218 -10.574 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.559 -9.915 2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.315 -11.365 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.938 -11.654 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.765 -12.704 1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.033 -11.299 1.170 1.00 0.00 H new ATOM 1524 N ILE A 94 -7.261 -8.641 -2.539 1.00 0.00 N ATOM 1525 CA ILE A 94 -8.254 -8.486 -3.624 1.00 0.00 C ATOM 1526 C ILE A 94 -7.595 -8.632 -4.989 1.00 0.00 C ATOM 1527 O ILE A 94 -8.042 -9.439 -5.801 1.00 0.00 O ATOM 1528 CB ILE A 94 -9.056 -7.178 -3.528 1.00 0.00 C ATOM 1529 CG1 ILE A 94 -9.686 -7.100 -2.128 1.00 0.00 C ATOM 1530 CG2 ILE A 94 -10.150 -7.165 -4.617 1.00 0.00 C ATOM 1531 CD1 ILE A 94 -10.373 -5.763 -1.874 1.00 0.00 C ATOM 0 H ILE A 94 -7.105 -7.785 -2.007 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.977 -9.293 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 94 -8.407 -6.317 -3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.411 -7.906 -2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.913 -7.257 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.719 -6.238 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -9.685 -7.235 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.819 -8.013 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.802 -5.759 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.644 -4.957 -1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.165 -5.616 -2.608 1.00 0.00 H new ATOM 1543 N LYS A 95 -6.482 -7.931 -5.223 1.00 0.00 N ATOM 1544 CA LYS A 95 -5.647 -8.136 -6.420 1.00 0.00 C ATOM 1545 C LYS A 95 -5.128 -9.569 -6.537 1.00 0.00 C ATOM 1546 O LYS A 95 -4.978 -10.068 -7.649 1.00 0.00 O ATOM 1547 CB LYS A 95 -4.496 -7.119 -6.443 1.00 0.00 C ATOM 1548 CG LYS A 95 -5.011 -5.686 -6.636 1.00 0.00 C ATOM 1549 CD LYS A 95 -5.797 -5.424 -7.941 1.00 0.00 C ATOM 1550 CE LYS A 95 -5.156 -5.974 -9.229 1.00 0.00 C ATOM 1551 NZ LYS A 95 -4.022 -5.145 -9.714 1.00 0.00 N ATOM 0 H LYS A 95 -6.132 -7.208 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.279 -7.971 -7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.935 -7.182 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.805 -7.369 -7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.652 -5.433 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.159 -5.007 -6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.791 -5.858 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.929 -4.348 -8.054 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.805 -6.990 -9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.915 -6.033 -10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.485 -5.676 -10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.389 -4.268 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.397 -4.911 -8.916 1.00 0.00 H new ATOM 1565 N THR A 96 -4.932 -10.252 -5.410 1.00 0.00 N ATOM 1566 CA THR A 96 -4.538 -11.680 -5.406 1.00 0.00 C ATOM 1567 C THR A 96 -5.706 -12.589 -5.798 1.00 0.00 C ATOM 1568 O THR A 96 -5.518 -13.568 -6.516 1.00 0.00 O ATOM 1569 CB THR A 96 -3.960 -12.121 -4.051 1.00 0.00 C ATOM 1570 OG1 THR A 96 -2.863 -11.301 -3.720 1.00 0.00 O ATOM 1571 CG2 THR A 96 -3.428 -13.555 -4.052 1.00 0.00 C ATOM 0 H THR A 96 -5.037 -9.847 -4.480 1.00 0.00 H new ATOM 0 HA THR A 96 -3.752 -11.780 -6.155 1.00 0.00 H new ATOM 0 HB THR A 96 -4.784 -12.045 -3.341 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.181 -10.397 -3.515 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.036 -13.798 -3.065 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.236 -14.243 -4.301 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.632 -13.647 -4.791 1.00 0.00 H new ATOM 1579 N ASP A 97 -6.926 -12.257 -5.376 1.00 0.00 N ATOM 1580 CA ASP A 97 -8.138 -13.040 -5.653 1.00 0.00 C ATOM 1581 C ASP A 97 -8.548 -12.873 -7.120 1.00 0.00 C ATOM 1582 O ASP A 97 -8.814 -13.849 -7.823 1.00 0.00 O ATOM 1583 CB ASP A 97 -9.260 -12.598 -4.702 1.00 0.00 C ATOM 1584 CG ASP A 97 -10.541 -13.419 -4.921 1.00 0.00 C ATOM 1585 OD1 ASP A 97 -10.591 -14.591 -4.475 1.00 0.00 O ATOM 1586 OD2 ASP A 97 -11.504 -12.891 -5.525 1.00 0.00 O ATOM 0 H ASP A 97 -7.107 -11.421 -4.821 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.941 -14.098 -5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -8.928 -12.709 -3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -9.474 -11.540 -4.857 1.00 0.00 H new ATOM 1591 N ARG A 98 -8.487 -11.624 -7.599 1.00 0.00 N ATOM 1592 CA ARG A 98 -8.560 -11.242 -9.015 1.00 0.00 C ATOM 1593 C ARG A 98 -7.549 -12.020 -9.870 1.00 0.00 C ATOM 1594 O ARG A 98 -7.945 -12.646 -10.853 1.00 0.00 O ATOM 1595 CB ARG A 98 -8.390 -9.711 -9.081 1.00 0.00 C ATOM 1596 CG ARG A 98 -8.120 -9.125 -10.472 1.00 0.00 C ATOM 1597 CD ARG A 98 -9.183 -9.453 -11.532 1.00 0.00 C ATOM 1598 NE ARG A 98 -10.509 -8.904 -11.182 1.00 0.00 N ATOM 1599 CZ ARG A 98 -11.649 -9.139 -11.809 1.00 0.00 C ATOM 1600 NH1 ARG A 98 -11.719 -9.914 -12.856 1.00 0.00 N ATOM 1601 NH2 ARG A 98 -12.755 -8.594 -11.392 1.00 0.00 N ATOM 0 H ARG A 98 -8.381 -10.817 -6.984 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.525 -11.509 -9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.292 -9.247 -8.682 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.568 -9.428 -8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.039 -8.042 -10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.154 -9.490 -10.822 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.869 -9.052 -12.495 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.258 -10.534 -11.646 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.549 -8.281 -10.375 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.876 -10.362 -13.216 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.616 -10.072 -13.314 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.746 -7.981 -10.577 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.631 -8.780 -11.881 1.00 0.00 H new ATOM 1615 N LYS A 99 -6.261 -12.021 -9.498 1.00 0.00 N ATOM 1616 CA LYS A 99 -5.194 -12.767 -10.197 1.00 0.00 C ATOM 1617 C LYS A 99 -5.465 -14.278 -10.239 1.00 0.00 C ATOM 1618 O LYS A 99 -5.393 -14.886 -11.308 1.00 0.00 O ATOM 1619 CB LYS A 99 -3.836 -12.435 -9.548 1.00 0.00 C ATOM 1620 CG LYS A 99 -2.647 -13.081 -10.280 1.00 0.00 C ATOM 1621 CD LYS A 99 -1.293 -12.757 -9.628 1.00 0.00 C ATOM 1622 CE LYS A 99 -0.942 -11.264 -9.711 1.00 0.00 C ATOM 1623 NZ LYS A 99 0.408 -10.989 -9.151 1.00 0.00 N ATOM 0 H LYS A 99 -5.922 -11.497 -8.691 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.173 -12.450 -11.240 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.702 -11.353 -9.532 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.843 -12.771 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.784 -14.162 -10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.636 -12.741 -11.315 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -1.314 -13.064 -8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.510 -13.338 -10.115 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.979 -10.938 -10.750 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.687 -10.683 -9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.613 -9.972 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.435 -11.278 -8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.121 -11.525 -9.686 1.00 0.00 H new ATOM 1637 N LYS A 100 -5.793 -14.884 -9.091 1.00 0.00 N ATOM 1638 CA LYS A 100 -6.001 -16.338 -8.927 1.00 0.00 C ATOM 1639 C LYS A 100 -7.435 -16.821 -9.236 1.00 0.00 C ATOM 1640 O LYS A 100 -7.776 -17.961 -8.919 1.00 0.00 O ATOM 1641 CB LYS A 100 -5.541 -16.752 -7.514 1.00 0.00 C ATOM 1642 CG LYS A 100 -4.908 -18.157 -7.519 1.00 0.00 C ATOM 1643 CD LYS A 100 -4.834 -18.793 -6.126 1.00 0.00 C ATOM 1644 CE LYS A 100 -6.240 -19.206 -5.674 1.00 0.00 C ATOM 1645 NZ LYS A 100 -6.215 -20.038 -4.446 1.00 0.00 N ATOM 0 H LYS A 100 -5.926 -14.366 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.392 -16.839 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.819 -16.027 -7.138 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.392 -16.737 -6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.486 -18.806 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.903 -18.094 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.177 -19.663 -6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.405 -18.087 -5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.838 -18.313 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.729 -19.760 -6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.187 -20.293 -4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.667 -20.904 -4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.773 -19.502 -3.672 1.00 0.00 H new ATOM 1812 N GLU A 111 -1.100 -26.143 -13.468 1.00 0.00 N ATOM 1813 CA GLU A 111 -1.013 -27.257 -12.504 1.00 0.00 C ATOM 1814 C GLU A 111 0.254 -28.142 -12.645 1.00 0.00 C ATOM 1815 O GLU A 111 0.281 -29.273 -12.160 1.00 0.00 O ATOM 1816 CB GLU A 111 -2.310 -28.088 -12.591 1.00 0.00 C ATOM 1817 CG GLU A 111 -2.521 -28.764 -13.956 1.00 0.00 C ATOM 1818 CD GLU A 111 -3.702 -29.756 -13.934 1.00 0.00 C ATOM 1819 OE1 GLU A 111 -3.676 -30.732 -13.145 1.00 0.00 O ATOM 1820 OE2 GLU A 111 -4.652 -29.584 -14.733 1.00 0.00 O ATOM 0 HA GLU A 111 -0.910 -26.818 -11.512 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.293 -28.853 -11.815 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.161 -27.440 -12.381 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.702 -28.002 -14.714 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.611 -29.290 -14.244 1.00 0.00 H new ATOM 1827 N GLU A 112 1.296 -27.656 -13.334 1.00 0.00 N ATOM 1828 CA GLU A 112 2.573 -28.323 -13.678 1.00 0.00 C ATOM 1829 C GLU A 112 2.453 -29.517 -14.650 1.00 0.00 C ATOM 1830 O GLU A 112 3.325 -29.718 -15.494 1.00 0.00 O ATOM 1831 CB GLU A 112 3.372 -28.659 -12.403 1.00 0.00 C ATOM 1832 CG GLU A 112 4.842 -28.995 -12.692 1.00 0.00 C ATOM 1833 CD GLU A 112 5.634 -29.169 -11.381 1.00 0.00 C ATOM 1834 OE1 GLU A 112 5.681 -30.301 -10.838 1.00 0.00 O ATOM 1835 OE2 GLU A 112 6.226 -28.178 -10.886 1.00 0.00 O ATOM 0 H GLU A 112 1.271 -26.704 -13.699 1.00 0.00 H new ATOM 0 HA GLU A 112 3.141 -27.595 -14.257 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.326 -27.813 -11.717 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.904 -29.504 -11.899 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.901 -29.910 -13.281 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.290 -28.201 -13.290 1.00 0.00 H new ATOM 1842 N ASP A 113 1.350 -30.266 -14.610 1.00 0.00 N ATOM 1843 CA ASP A 113 1.054 -31.410 -15.488 1.00 0.00 C ATOM 1844 C ASP A 113 1.130 -31.055 -16.985 1.00 0.00 C ATOM 1845 O ASP A 113 1.580 -31.852 -17.809 1.00 0.00 O ATOM 1846 CB ASP A 113 -0.340 -31.938 -15.117 1.00 0.00 C ATOM 1847 CG ASP A 113 -0.719 -33.229 -15.862 1.00 0.00 C ATOM 1848 OD1 ASP A 113 -0.061 -34.273 -15.642 1.00 0.00 O ATOM 1849 OD2 ASP A 113 -1.701 -33.198 -16.643 1.00 0.00 O ATOM 0 H ASP A 113 0.604 -30.088 -13.938 1.00 0.00 H new ATOM 0 HA ASP A 113 1.813 -32.177 -15.333 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.377 -32.122 -14.043 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.082 -31.170 -15.335 1.00 0.00 H new ATOM 1854 N LYS A 114 0.721 -29.831 -17.342 1.00 0.00 N ATOM 1855 CA LYS A 114 0.698 -29.319 -18.720 1.00 0.00 C ATOM 1856 C LYS A 114 2.099 -29.190 -19.311 1.00 0.00 C ATOM 1857 O LYS A 114 2.318 -29.490 -20.481 1.00 0.00 O ATOM 1858 CB LYS A 114 -0.010 -27.955 -18.745 1.00 0.00 C ATOM 1859 CG LYS A 114 -1.424 -27.939 -18.144 1.00 0.00 C ATOM 1860 CD LYS A 114 -2.348 -29.040 -18.691 1.00 0.00 C ATOM 1861 CE LYS A 114 -2.459 -30.218 -17.714 1.00 0.00 C ATOM 1862 NZ LYS A 114 -3.117 -31.406 -18.301 1.00 0.00 N ATOM 0 H LYS A 114 0.387 -29.149 -16.661 1.00 0.00 H new ATOM 0 HA LYS A 114 0.154 -30.037 -19.334 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.605 -27.235 -18.205 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.068 -27.613 -19.778 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.349 -28.046 -17.062 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.879 -26.968 -18.337 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.339 -28.626 -18.877 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.966 -29.395 -19.648 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.461 -30.495 -17.375 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.018 -29.900 -16.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.911 -32.241 -17.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.145 -31.252 -18.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.758 -31.561 -19.265 1.00 0.00 H new ATOM 1876 N VAL A 115 3.051 -28.785 -18.475 1.00 0.00 N ATOM 1877 CA VAL A 115 4.485 -28.658 -18.812 1.00 0.00 C ATOM 1878 C VAL A 115 5.076 -29.989 -19.298 1.00 0.00 C ATOM 1879 O VAL A 115 5.904 -30.002 -20.210 1.00 0.00 O ATOM 1880 CB VAL A 115 5.304 -28.090 -17.629 1.00 0.00 C ATOM 1881 CG1 VAL A 115 6.742 -27.748 -18.043 1.00 0.00 C ATOM 1882 CG2 VAL A 115 4.680 -26.805 -17.064 1.00 0.00 C ATOM 0 H VAL A 115 2.849 -28.525 -17.510 1.00 0.00 H new ATOM 0 HA VAL A 115 4.552 -27.946 -19.634 1.00 0.00 H new ATOM 0 HB VAL A 115 5.303 -28.875 -16.873 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.284 -27.352 -17.184 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.241 -28.648 -18.403 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.724 -27.001 -18.836 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.287 -26.440 -16.235 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.639 -26.046 -17.846 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.671 -27.016 -16.710 1.00 0.00 H new ATOM 1892 N LYS A 116 4.628 -31.116 -18.731 1.00 0.00 N ATOM 1893 CA LYS A 116 4.997 -32.477 -19.148 1.00 0.00 C ATOM 1894 C LYS A 116 4.385 -32.875 -20.500 1.00 0.00 C ATOM 1895 O LYS A 116 5.057 -33.500 -21.319 1.00 0.00 O ATOM 1896 CB LYS A 116 4.573 -33.473 -18.053 1.00 0.00 C ATOM 1897 CG LYS A 116 5.029 -33.111 -16.625 1.00 0.00 C ATOM 1898 CD LYS A 116 6.549 -32.943 -16.444 1.00 0.00 C ATOM 1899 CE LYS A 116 7.380 -34.178 -16.828 1.00 0.00 C ATOM 1900 NZ LYS A 116 7.140 -35.331 -15.918 1.00 0.00 N ATOM 0 H LYS A 116 3.978 -31.107 -17.945 1.00 0.00 H new ATOM 0 HA LYS A 116 6.078 -32.500 -19.282 1.00 0.00 H new ATOM 0 HB2 LYS A 116 3.486 -33.556 -18.060 1.00 0.00 H new ATOM 0 HB3 LYS A 116 4.969 -34.457 -18.306 1.00 0.00 H new ATOM 0 HG2 LYS A 116 4.539 -32.183 -16.329 1.00 0.00 H new ATOM 0 HG3 LYS A 116 4.682 -33.887 -15.942 1.00 0.00 H new ATOM 0 HD2 LYS A 116 6.882 -32.096 -17.045 1.00 0.00 H new ATOM 0 HD3 LYS A 116 6.752 -32.694 -15.402 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.140 -34.470 -17.850 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.439 -33.919 -16.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 7.723 -36.138 -16.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.394 -35.064 -14.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.135 -35.598 -15.953 1.00 0.00 H new ATOM 1914 N GLU A 117 3.119 -32.522 -20.737 1.00 0.00 N ATOM 1915 CA GLU A 117 2.381 -32.833 -21.976 1.00 0.00 C ATOM 1916 C GLU A 117 2.802 -31.965 -23.178 1.00 0.00 C ATOM 1917 O GLU A 117 2.759 -32.431 -24.319 1.00 0.00 O ATOM 1918 CB GLU A 117 0.871 -32.650 -21.753 1.00 0.00 C ATOM 1919 CG GLU A 117 0.271 -33.681 -20.790 1.00 0.00 C ATOM 1920 CD GLU A 117 -1.266 -33.578 -20.764 1.00 0.00 C ATOM 1921 OE1 GLU A 117 -1.802 -32.483 -20.466 1.00 0.00 O ATOM 1922 OE2 GLU A 117 -1.952 -34.592 -21.046 1.00 0.00 O ATOM 0 H GLU A 117 2.561 -32.000 -20.061 1.00 0.00 H new ATOM 0 HA GLU A 117 2.623 -33.869 -22.214 1.00 0.00 H new ATOM 0 HB2 GLU A 117 0.687 -31.649 -21.363 1.00 0.00 H new ATOM 0 HB3 GLU A 117 0.358 -32.718 -22.712 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.567 -34.685 -21.094 1.00 0.00 H new ATOM 0 HG3 GLU A 117 0.667 -33.522 -19.787 1.00 0.00 H new ATOM 1929 N LYS A 118 3.187 -30.707 -22.920 1.00 0.00 N ATOM 1930 CA LYS A 118 3.465 -29.644 -23.908 1.00 0.00 C ATOM 1931 C LYS A 118 2.342 -29.482 -24.966 1.00 0.00 C ATOM 1932 O LYS A 118 2.588 -29.710 -26.158 1.00 0.00 O ATOM 1933 CB LYS A 118 4.871 -29.823 -24.521 1.00 0.00 C ATOM 1934 CG LYS A 118 5.980 -29.827 -23.458 1.00 0.00 C ATOM 1935 CD LYS A 118 7.373 -29.891 -24.093 1.00 0.00 C ATOM 1936 CE LYS A 118 8.437 -29.910 -22.990 1.00 0.00 C ATOM 1937 NZ LYS A 118 9.810 -29.976 -23.555 1.00 0.00 N ATOM 0 H LYS A 118 3.322 -30.381 -21.963 1.00 0.00 H new ATOM 0 HA LYS A 118 3.467 -28.694 -23.374 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.904 -30.759 -25.079 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.058 -29.020 -25.234 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.900 -28.929 -22.845 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.844 -30.680 -22.793 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.461 -30.783 -24.713 1.00 0.00 H new ATOM 0 HD3 LYS A 118 7.526 -29.032 -24.746 1.00 0.00 H new ATOM 0 HE2 LYS A 118 8.339 -29.016 -22.374 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.270 -30.767 -22.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 10.504 -29.987 -22.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 9.911 -30.842 -24.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 9.978 -29.145 -24.158 1.00 0.00 H new