USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= -1.22 K(o=-1.7,f=-3.6) USER MOD Set 1.2: A 36 THR OG1 : rot 172:sc= -0.517 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= 1.26 (180deg=1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.16) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.05) USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.14) USER MOD Single : A 26 GLN : amide:sc= 0.403 X(o=0.4,f=-0.05) USER MOD Single : A 27 LYS NZ :NH3+ 153:sc= 0.796 (180deg=-0.837!) USER MOD Single : A 34 TYR OH : rot 98:sc= 0.114 USER MOD Single : A 37 ASN : amide:sc= 0.495 X(o=0.5,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+ -171:sc= 2.43 (180deg=2.31) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 49 SER OG : rot 85:sc= 0.61 USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= 1.1 (180deg=1.06) USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= 2.49 (180deg=1.51) USER MOD Single : A 62 LYS NZ :NH3+ -128:sc= 0.886 (180deg=0.335) USER MOD Single : A 66 LYS NZ :NH3+ 145:sc= 1.27 (180deg=0.875) USER MOD Single : A 70 ASN : amide:sc= 0.944 K(o=0.94,f=-1.7) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 78 LYS NZ :NH3+ -160:sc= 1.26 (180deg=1.15) USER MOD Single : A 83 SER OG : rot 69:sc= 0.0149 USER MOD Single : A 84 LYS NZ :NH3+ -157:sc= 0.729 (180deg=0.601) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 85:sc= 0.217 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.15) USER MOD Single : A 96 THR OG1 : rot 79:sc= 1.19 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+ 158:sc= 1.28 (180deg=1.13) USER MOD Single : A 116 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.14) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0.85 (180deg=0.85) USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 5 13.487 17.014 13.700 1.00 0.00 N ATOM 56 CA PRO A 5 13.347 15.758 12.952 1.00 0.00 C ATOM 57 C PRO A 5 12.450 15.865 11.713 1.00 0.00 C ATOM 58 O PRO A 5 12.563 15.038 10.817 1.00 0.00 O ATOM 59 CB PRO A 5 12.852 14.723 13.964 1.00 0.00 C ATOM 60 CG PRO A 5 12.286 15.581 15.095 1.00 0.00 C ATOM 61 CD PRO A 5 13.228 16.780 15.090 1.00 0.00 C ATOM 0 HA PRO A 5 14.306 15.465 12.524 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.091 14.071 13.534 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.661 14.081 14.312 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.253 15.874 14.907 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.299 15.056 16.050 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.770 17.649 15.562 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.147 16.568 15.637 1.00 0.00 H new ATOM 69 N GLU A 6 11.674 16.946 11.592 1.00 0.00 N ATOM 70 CA GLU A 6 11.293 17.611 10.351 1.00 0.00 C ATOM 71 C GLU A 6 12.215 17.315 9.158 1.00 0.00 C ATOM 72 O GLU A 6 11.750 16.890 8.105 1.00 0.00 O ATOM 73 CB GLU A 6 11.237 19.094 10.719 1.00 0.00 C ATOM 74 CG GLU A 6 10.847 19.928 9.532 1.00 0.00 C ATOM 75 CD GLU A 6 10.637 21.409 9.900 1.00 0.00 C ATOM 76 OE1 GLU A 6 11.614 22.196 9.845 1.00 0.00 O ATOM 77 OE2 GLU A 6 9.493 21.798 10.238 1.00 0.00 O ATOM 0 H GLU A 6 11.273 17.405 12.410 1.00 0.00 H new ATOM 0 HA GLU A 6 10.336 17.238 9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.520 19.245 11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.209 19.417 11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.621 19.852 8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.930 19.531 9.097 1.00 0.00 H new ATOM 84 N LYS A 7 13.524 17.494 9.332 1.00 0.00 N ATOM 85 CA LYS A 7 14.563 17.288 8.314 1.00 0.00 C ATOM 86 C LYS A 7 14.691 15.835 7.850 1.00 0.00 C ATOM 87 O LYS A 7 14.762 15.581 6.646 1.00 0.00 O ATOM 88 CB LYS A 7 15.877 17.857 8.865 1.00 0.00 C ATOM 89 CG LYS A 7 15.770 19.332 9.303 1.00 0.00 C ATOM 90 CD LYS A 7 15.394 20.258 8.163 1.00 0.00 C ATOM 91 CE LYS A 7 16.529 20.293 7.139 1.00 0.00 C ATOM 92 NZ LYS A 7 16.408 21.447 6.209 1.00 0.00 N ATOM 0 H LYS A 7 13.910 17.800 10.225 1.00 0.00 H new ATOM 0 HA LYS A 7 14.281 17.820 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 7 16.196 17.255 9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 7 16.651 17.767 8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.026 19.418 10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 7 16.723 19.651 9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.474 19.915 7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.202 21.261 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.485 20.346 7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.529 19.365 6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.198 21.432 5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.508 21.383 5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.434 22.334 6.751 1.00 0.00 H new ATOM 106 N LYS A 8 14.648 14.880 8.783 1.00 0.00 N ATOM 107 CA LYS A 8 14.607 13.440 8.491 1.00 0.00 C ATOM 108 C LYS A 8 13.294 13.021 7.840 1.00 0.00 C ATOM 109 O LYS A 8 13.282 12.229 6.899 1.00 0.00 O ATOM 110 CB LYS A 8 14.801 12.650 9.796 1.00 0.00 C ATOM 111 CG LYS A 8 16.156 12.881 10.490 1.00 0.00 C ATOM 112 CD LYS A 8 17.373 12.727 9.563 1.00 0.00 C ATOM 113 CE LYS A 8 17.277 11.451 8.717 1.00 0.00 C ATOM 114 NZ LYS A 8 18.460 11.297 7.834 1.00 0.00 N ATOM 0 H LYS A 8 14.640 15.087 9.782 1.00 0.00 H new ATOM 0 HA LYS A 8 15.410 13.223 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.003 12.917 10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.694 11.587 9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 8 16.165 13.883 10.920 1.00 0.00 H new ATOM 0 HG3 LYS A 8 16.252 12.178 11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.445 13.595 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.285 12.702 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.194 10.584 9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.371 11.481 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.605 10.290 7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.303 11.820 6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.303 11.673 8.314 1.00 0.00 H new ATOM 128 N VAL A 9 12.191 13.573 8.337 1.00 0.00 N ATOM 129 CA VAL A 9 10.846 13.311 7.808 1.00 0.00 C ATOM 130 C VAL A 9 10.705 13.874 6.390 1.00 0.00 C ATOM 131 O VAL A 9 10.058 13.251 5.558 1.00 0.00 O ATOM 132 CB VAL A 9 9.756 13.838 8.761 1.00 0.00 C ATOM 133 CG1 VAL A 9 8.351 13.520 8.238 1.00 0.00 C ATOM 134 CG2 VAL A 9 9.884 13.141 10.120 1.00 0.00 C ATOM 0 H VAL A 9 12.200 14.221 9.125 1.00 0.00 H new ATOM 0 HA VAL A 9 10.705 12.232 7.743 1.00 0.00 H new ATOM 0 HB VAL A 9 9.891 14.917 8.840 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.607 13.906 8.935 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.211 13.987 7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.234 12.440 8.144 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.113 13.514 10.794 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.763 12.066 9.990 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.867 13.347 10.544 1.00 0.00 H new ATOM 144 N ALA A 10 11.349 15.002 6.077 1.00 0.00 N ATOM 145 CA ALA A 10 11.297 15.654 4.765 1.00 0.00 C ATOM 146 C ALA A 10 11.997 14.830 3.671 1.00 0.00 C ATOM 147 O ALA A 10 11.412 14.570 2.618 1.00 0.00 O ATOM 148 CB ALA A 10 11.899 17.061 4.874 1.00 0.00 C ATOM 0 H ALA A 10 11.936 15.500 6.746 1.00 0.00 H new ATOM 0 HA ALA A 10 10.252 15.729 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.862 17.549 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.328 17.646 5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.935 16.989 5.205 1.00 0.00 H new ATOM 154 N GLU A 11 13.238 14.385 3.899 1.00 0.00 N ATOM 155 CA GLU A 11 13.946 13.544 2.926 1.00 0.00 C ATOM 156 C GLU A 11 13.310 12.154 2.732 1.00 0.00 C ATOM 157 O GLU A 11 13.404 11.569 1.650 1.00 0.00 O ATOM 158 CB GLU A 11 15.440 13.467 3.268 1.00 0.00 C ATOM 159 CG GLU A 11 15.757 12.624 4.507 1.00 0.00 C ATOM 160 CD GLU A 11 17.269 12.582 4.792 1.00 0.00 C ATOM 161 OE1 GLU A 11 18.031 11.996 3.985 1.00 0.00 O ATOM 162 OE2 GLU A 11 17.709 13.083 5.854 1.00 0.00 O ATOM 0 H GLU A 11 13.771 14.592 4.744 1.00 0.00 H new ATOM 0 HA GLU A 11 13.846 14.029 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.976 13.053 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.818 14.477 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.235 13.035 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.385 11.610 4.363 1.00 0.00 H new ATOM 169 N ALA A 12 12.609 11.630 3.743 1.00 0.00 N ATOM 170 CA ALA A 12 11.809 10.419 3.581 1.00 0.00 C ATOM 171 C ALA A 12 10.412 10.671 2.990 1.00 0.00 C ATOM 172 O ALA A 12 9.888 9.822 2.277 1.00 0.00 O ATOM 173 CB ALA A 12 11.761 9.681 4.920 1.00 0.00 C ATOM 0 H ALA A 12 12.582 12.029 4.682 1.00 0.00 H new ATOM 0 HA ALA A 12 12.294 9.787 2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.166 8.774 4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.773 9.418 5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.309 10.325 5.674 1.00 0.00 H new ATOM 179 N GLU A 13 9.811 11.842 3.191 1.00 0.00 N ATOM 180 CA GLU A 13 8.586 12.253 2.495 1.00 0.00 C ATOM 181 C GLU A 13 8.805 12.330 0.974 1.00 0.00 C ATOM 182 O GLU A 13 7.922 12.026 0.178 1.00 0.00 O ATOM 183 CB GLU A 13 8.099 13.580 3.082 1.00 0.00 C ATOM 184 CG GLU A 13 6.969 14.178 2.246 1.00 0.00 C ATOM 185 CD GLU A 13 6.158 15.211 3.046 1.00 0.00 C ATOM 186 OE1 GLU A 13 5.188 14.799 3.731 1.00 0.00 O ATOM 187 OE2 GLU A 13 6.473 16.424 2.988 1.00 0.00 O ATOM 0 H GLU A 13 10.161 12.541 3.847 1.00 0.00 H new ATOM 0 HA GLU A 13 7.810 11.503 2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.754 13.423 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.929 14.284 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.385 14.651 1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.308 13.382 1.904 1.00 0.00 H new ATOM 194 N LYS A 14 10.025 12.669 0.571 1.00 0.00 N ATOM 195 CA LYS A 14 10.518 12.667 -0.814 1.00 0.00 C ATOM 196 C LYS A 14 10.508 11.273 -1.432 1.00 0.00 C ATOM 197 O LYS A 14 10.021 11.075 -2.546 1.00 0.00 O ATOM 198 CB LYS A 14 11.922 13.281 -0.788 1.00 0.00 C ATOM 199 CG LYS A 14 11.799 14.790 -1.012 1.00 0.00 C ATOM 200 CD LYS A 14 13.133 15.527 -0.819 1.00 0.00 C ATOM 201 CE LYS A 14 12.911 17.008 -0.484 1.00 0.00 C ATOM 202 NZ LYS A 14 12.321 17.767 -1.620 1.00 0.00 N ATOM 0 H LYS A 14 10.740 12.970 1.233 1.00 0.00 H new ATOM 0 HA LYS A 14 9.858 13.256 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.406 13.079 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.545 12.833 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.429 14.975 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.060 15.197 -0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.700 15.052 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.731 15.443 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.254 17.087 0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.862 17.460 -0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.191 18.761 -1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.959 17.717 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.400 17.355 -1.872 1.00 0.00 H new ATOM 216 N LYS A 15 10.959 10.282 -0.668 1.00 0.00 N ATOM 217 CA LYS A 15 10.730 8.863 -0.967 1.00 0.00 C ATOM 218 C LYS A 15 9.236 8.499 -0.993 1.00 0.00 C ATOM 219 O LYS A 15 8.773 7.852 -1.929 1.00 0.00 O ATOM 220 CB LYS A 15 11.531 8.046 0.050 1.00 0.00 C ATOM 221 CG LYS A 15 11.060 6.602 0.186 1.00 0.00 C ATOM 222 CD LYS A 15 11.139 5.778 -1.110 1.00 0.00 C ATOM 223 CE LYS A 15 12.572 5.703 -1.640 1.00 0.00 C ATOM 224 NZ LYS A 15 12.700 4.750 -2.771 1.00 0.00 N ATOM 0 H LYS A 15 11.498 10.438 0.184 1.00 0.00 H new ATOM 0 HA LYS A 15 11.076 8.631 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.581 8.050 -0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.468 8.532 1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.659 6.109 0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.029 6.602 0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.765 4.771 -0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.493 6.224 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.891 6.694 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.241 5.400 -0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.666 4.793 -3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.503 3.785 -2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.021 5.003 -3.517 1.00 0.00 H new ATOM 238 N VAL A 16 8.453 8.949 -0.014 1.00 0.00 N ATOM 239 CA VAL A 16 6.990 8.717 0.047 1.00 0.00 C ATOM 240 C VAL A 16 6.259 9.298 -1.170 1.00 0.00 C ATOM 241 O VAL A 16 5.128 8.931 -1.463 1.00 0.00 O ATOM 242 CB VAL A 16 6.420 9.247 1.379 1.00 0.00 C ATOM 243 CG1 VAL A 16 5.344 10.340 1.309 1.00 0.00 C ATOM 244 CG2 VAL A 16 5.870 8.090 2.219 1.00 0.00 C ATOM 0 H VAL A 16 8.809 9.492 0.773 1.00 0.00 H new ATOM 0 HA VAL A 16 6.818 7.641 0.012 1.00 0.00 H new ATOM 0 HB VAL A 16 7.285 9.732 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.038 10.614 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.748 11.216 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.481 9.967 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.471 8.478 3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.076 7.586 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.671 7.382 2.431 1.00 0.00 H new ATOM 254 N GLU A 17 6.928 10.186 -1.897 1.00 0.00 N ATOM 255 CA GLU A 17 6.428 10.836 -3.116 1.00 0.00 C ATOM 256 C GLU A 17 6.589 9.915 -4.331 1.00 0.00 C ATOM 257 O GLU A 17 5.668 9.783 -5.131 1.00 0.00 O ATOM 258 CB GLU A 17 7.135 12.187 -3.335 1.00 0.00 C ATOM 259 CG GLU A 17 6.161 13.367 -3.408 1.00 0.00 C ATOM 260 CD GLU A 17 5.370 13.390 -4.726 1.00 0.00 C ATOM 261 OE1 GLU A 17 5.947 13.755 -5.779 1.00 0.00 O ATOM 262 OE2 GLU A 17 4.157 13.077 -4.730 1.00 0.00 O ATOM 0 H GLU A 17 7.870 10.488 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 17 5.363 11.032 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.842 12.357 -2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.713 12.143 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.466 13.314 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.715 14.300 -3.303 1.00 0.00 H new ATOM 269 N GLU A 18 7.714 9.203 -4.432 1.00 0.00 N ATOM 270 CA GLU A 18 7.866 8.060 -5.346 1.00 0.00 C ATOM 271 C GLU A 18 6.821 6.965 -5.050 1.00 0.00 C ATOM 272 O GLU A 18 6.165 6.463 -5.966 1.00 0.00 O ATOM 273 CB GLU A 18 9.301 7.520 -5.250 1.00 0.00 C ATOM 274 CG GLU A 18 9.604 6.438 -6.293 1.00 0.00 C ATOM 275 CD GLU A 18 11.068 5.974 -6.185 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.433 5.357 -5.155 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.863 6.220 -7.125 1.00 0.00 O ATOM 0 H GLU A 18 8.550 9.401 -3.882 1.00 0.00 H new ATOM 0 HA GLU A 18 7.687 8.392 -6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.003 8.344 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.464 7.111 -4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.936 5.589 -6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.413 6.826 -7.293 1.00 0.00 H new ATOM 284 N ALA A 19 6.607 6.638 -3.768 1.00 0.00 N ATOM 285 CA ALA A 19 5.525 5.748 -3.334 1.00 0.00 C ATOM 286 C ALA A 19 4.126 6.258 -3.757 1.00 0.00 C ATOM 287 O ALA A 19 3.338 5.503 -4.330 1.00 0.00 O ATOM 288 CB ALA A 19 5.658 5.523 -1.823 1.00 0.00 C ATOM 0 H ALA A 19 7.183 6.986 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 19 5.621 4.788 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.861 4.863 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.624 5.067 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.584 6.479 -1.305 1.00 0.00 H new ATOM 294 N LYS A 20 3.822 7.548 -3.552 1.00 0.00 N ATOM 295 CA LYS A 20 2.589 8.205 -4.016 1.00 0.00 C ATOM 296 C LYS A 20 2.430 8.149 -5.537 1.00 0.00 C ATOM 297 O LYS A 20 1.342 7.848 -6.024 1.00 0.00 O ATOM 298 CB LYS A 20 2.566 9.647 -3.487 1.00 0.00 C ATOM 299 CG LYS A 20 1.159 10.248 -3.536 1.00 0.00 C ATOM 300 CD LYS A 20 1.156 11.653 -2.915 1.00 0.00 C ATOM 301 CE LYS A 20 -0.259 12.059 -2.498 1.00 0.00 C ATOM 302 NZ LYS A 20 -1.156 12.299 -3.661 1.00 0.00 N ATOM 0 H LYS A 20 4.442 8.180 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 20 1.732 7.662 -3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.933 9.664 -2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.245 10.262 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.814 10.299 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.463 9.604 -2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.816 11.674 -2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.550 12.373 -3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.686 11.277 -1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.209 12.963 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.100 12.571 -3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.766 13.064 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.229 11.430 -4.228 1.00 0.00 H new ATOM 316 N LYS A 21 3.510 8.353 -6.300 1.00 0.00 N ATOM 317 CA LYS A 21 3.536 8.148 -7.761 1.00 0.00 C ATOM 318 C LYS A 21 3.149 6.725 -8.184 1.00 0.00 C ATOM 319 O LYS A 21 2.496 6.577 -9.212 1.00 0.00 O ATOM 320 CB LYS A 21 4.890 8.580 -8.361 1.00 0.00 C ATOM 321 CG LYS A 21 4.831 9.972 -9.014 1.00 0.00 C ATOM 322 CD LYS A 21 4.530 11.111 -8.028 1.00 0.00 C ATOM 323 CE LYS A 21 4.395 12.438 -8.780 1.00 0.00 C ATOM 324 NZ LYS A 21 4.099 13.552 -7.847 1.00 0.00 N ATOM 0 H LYS A 21 4.403 8.669 -5.920 1.00 0.00 H new ATOM 0 HA LYS A 21 2.763 8.795 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.647 8.583 -7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.204 7.847 -9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.783 10.172 -9.505 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.066 9.966 -9.791 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.610 10.897 -7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.328 11.183 -7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.317 12.648 -9.322 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.600 12.360 -9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.929 14.423 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.253 13.321 -7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.908 13.694 -7.208 1.00 0.00 H new ATOM 338 N LYS A 22 3.455 5.682 -7.401 1.00 0.00 N ATOM 339 CA LYS A 22 2.944 4.314 -7.650 1.00 0.00 C ATOM 340 C LYS A 22 1.450 4.133 -7.378 1.00 0.00 C ATOM 341 O LYS A 22 0.799 3.364 -8.089 1.00 0.00 O ATOM 342 CB LYS A 22 3.812 3.253 -6.951 1.00 0.00 C ATOM 343 CG LYS A 22 5.189 3.093 -7.624 1.00 0.00 C ATOM 344 CD LYS A 22 5.145 2.616 -9.090 1.00 0.00 C ATOM 345 CE LYS A 22 4.581 1.193 -9.220 1.00 0.00 C ATOM 346 NZ LYS A 22 4.582 0.730 -10.633 1.00 0.00 N ATOM 0 H LYS A 22 4.058 5.754 -6.582 1.00 0.00 H new ATOM 0 HA LYS A 22 3.035 4.159 -8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.950 3.530 -5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.291 2.296 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.710 4.050 -7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.780 2.384 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.533 3.302 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.150 2.647 -9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.174 0.509 -8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.564 1.167 -8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.509 -0.307 -10.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.772 1.147 -11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.465 1.026 -11.095 1.00 0.00 H new ATOM 360 N ALA A 23 0.867 4.877 -6.441 1.00 0.00 N ATOM 361 CA ALA A 23 -0.591 4.982 -6.356 1.00 0.00 C ATOM 362 C ALA A 23 -1.200 5.781 -7.528 1.00 0.00 C ATOM 363 O ALA A 23 -2.237 5.394 -8.067 1.00 0.00 O ATOM 364 CB ALA A 23 -0.994 5.535 -4.983 1.00 0.00 C ATOM 0 H ALA A 23 1.374 5.412 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.011 3.981 -6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.080 5.611 -4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.635 4.865 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.554 6.522 -4.845 1.00 0.00 H new ATOM 370 N GLU A 24 -0.531 6.835 -8.003 1.00 0.00 N ATOM 371 CA GLU A 24 -0.924 7.554 -9.229 1.00 0.00 C ATOM 372 C GLU A 24 -0.820 6.656 -10.483 1.00 0.00 C ATOM 373 O GLU A 24 -1.593 6.786 -11.430 1.00 0.00 O ATOM 374 CB GLU A 24 -0.097 8.844 -9.361 1.00 0.00 C ATOM 375 CG GLU A 24 -0.655 9.804 -10.417 1.00 0.00 C ATOM 376 CD GLU A 24 0.111 11.141 -10.398 1.00 0.00 C ATOM 377 OE1 GLU A 24 1.168 11.252 -11.065 1.00 0.00 O ATOM 378 OE2 GLU A 24 -0.340 12.094 -9.716 1.00 0.00 O ATOM 0 H GLU A 24 0.300 7.218 -7.552 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.975 7.831 -9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.067 9.351 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.930 8.586 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.579 9.350 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.714 9.983 -10.229 1.00 0.00 H new ATOM 385 N ASP A 25 0.080 5.674 -10.464 1.00 0.00 N ATOM 386 CA ASP A 25 0.157 4.593 -11.448 1.00 0.00 C ATOM 387 C ASP A 25 -1.092 3.696 -11.445 1.00 0.00 C ATOM 388 O ASP A 25 -1.493 3.206 -12.504 1.00 0.00 O ATOM 389 CB ASP A 25 1.404 3.742 -11.159 1.00 0.00 C ATOM 390 CG ASP A 25 2.100 3.155 -12.398 1.00 0.00 C ATOM 391 OD1 ASP A 25 2.040 3.744 -13.503 1.00 0.00 O ATOM 392 OD2 ASP A 25 2.769 2.105 -12.238 1.00 0.00 O ATOM 0 H ASP A 25 0.798 5.606 -9.742 1.00 0.00 H new ATOM 0 HA ASP A 25 0.218 5.050 -12.436 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.123 4.354 -10.614 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.119 2.922 -10.500 1.00 0.00 H new ATOM 397 N GLN A 26 -1.732 3.477 -10.281 1.00 0.00 N ATOM 398 CA GLN A 26 -2.974 2.711 -10.223 1.00 0.00 C ATOM 399 C GLN A 26 -4.116 3.580 -10.768 1.00 0.00 C ATOM 400 O GLN A 26 -4.942 3.117 -11.548 1.00 0.00 O ATOM 401 CB GLN A 26 -3.234 2.241 -8.781 1.00 0.00 C ATOM 402 CG GLN A 26 -2.096 1.454 -8.112 1.00 0.00 C ATOM 403 CD GLN A 26 -1.356 0.493 -9.035 1.00 0.00 C ATOM 404 OE1 GLN A 26 -1.907 -0.464 -9.563 1.00 0.00 O ATOM 405 NE2 GLN A 26 -0.080 0.722 -9.264 1.00 0.00 N ATOM 0 H GLN A 26 -1.406 3.821 -9.378 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.903 1.816 -10.841 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.452 3.116 -8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.129 1.619 -8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.379 2.162 -7.697 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.507 0.889 -7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.382 1.519 -8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.447 0.103 -9.880 1.00 0.00 H new ATOM 414 N LYS A 27 -4.124 4.873 -10.424 1.00 0.00 N ATOM 415 CA LYS A 27 -5.085 5.859 -10.930 1.00 0.00 C ATOM 416 C LYS A 27 -5.102 5.951 -12.444 1.00 0.00 C ATOM 417 O LYS A 27 -6.160 5.883 -13.055 1.00 0.00 O ATOM 418 CB LYS A 27 -4.743 7.220 -10.329 1.00 0.00 C ATOM 419 CG LYS A 27 -5.631 8.370 -10.809 1.00 0.00 C ATOM 420 CD LYS A 27 -7.145 8.166 -10.749 1.00 0.00 C ATOM 421 CE LYS A 27 -7.627 7.516 -9.448 1.00 0.00 C ATOM 422 NZ LYS A 27 -9.098 7.310 -9.507 1.00 0.00 N ATOM 0 H LYS A 27 -3.448 5.271 -9.772 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.083 5.537 -10.632 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.815 7.152 -9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.706 7.456 -10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.387 9.253 -10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.363 8.594 -11.841 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.638 9.131 -10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.453 7.546 -11.591 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.122 6.562 -9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.372 8.149 -8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.361 6.509 -8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.582 8.169 -9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.381 7.108 -10.487 1.00 0.00 H new ATOM 436 N GLU A 28 -3.936 6.095 -13.051 1.00 0.00 N ATOM 437 CA GLU A 28 -3.826 6.109 -14.515 1.00 0.00 C ATOM 438 C GLU A 28 -4.486 4.864 -15.148 1.00 0.00 C ATOM 439 O GLU A 28 -5.204 4.969 -16.142 1.00 0.00 O ATOM 440 CB GLU A 28 -2.359 6.274 -14.940 1.00 0.00 C ATOM 441 CG GLU A 28 -2.203 6.692 -16.411 1.00 0.00 C ATOM 442 CD GLU A 28 -2.639 8.153 -16.651 1.00 0.00 C ATOM 443 OE1 GLU A 28 -3.859 8.420 -16.781 1.00 0.00 O ATOM 444 OE2 GLU A 28 -1.760 9.047 -16.719 1.00 0.00 O ATOM 0 H GLU A 28 -3.048 6.204 -12.561 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.377 6.970 -14.893 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.884 7.021 -14.304 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.831 5.334 -14.777 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.163 6.571 -16.713 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.797 6.029 -17.040 1.00 0.00 H new ATOM 451 N GLU A 29 -4.348 3.686 -14.532 1.00 0.00 N ATOM 452 CA GLU A 29 -5.048 2.475 -14.970 1.00 0.00 C ATOM 453 C GLU A 29 -6.589 2.523 -14.778 1.00 0.00 C ATOM 454 O GLU A 29 -7.326 1.985 -15.599 1.00 0.00 O ATOM 455 CB GLU A 29 -4.376 1.237 -14.351 1.00 0.00 C ATOM 456 CG GLU A 29 -4.912 -0.070 -14.951 1.00 0.00 C ATOM 457 CD GLU A 29 -3.819 -1.123 -15.196 1.00 0.00 C ATOM 458 OE1 GLU A 29 -3.162 -1.052 -16.264 1.00 0.00 O ATOM 459 OE2 GLU A 29 -3.675 -2.054 -14.370 1.00 0.00 O ATOM 0 H GLU A 29 -3.750 3.545 -13.718 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.946 2.406 -16.053 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.299 1.293 -14.508 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.541 1.236 -13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.664 -0.487 -14.281 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.412 0.150 -15.894 1.00 0.00 H new ATOM 466 N ASP A 30 -7.122 3.229 -13.778 1.00 0.00 N ATOM 467 CA ASP A 30 -8.517 3.566 -13.569 1.00 0.00 C ATOM 468 C ASP A 30 -9.064 4.527 -14.632 1.00 0.00 C ATOM 469 O ASP A 30 -10.253 4.468 -14.932 1.00 0.00 O ATOM 470 CB ASP A 30 -8.662 4.051 -12.109 1.00 0.00 C ATOM 471 CG ASP A 30 -9.735 5.111 -11.824 1.00 0.00 C ATOM 472 OD1 ASP A 30 -9.498 6.297 -12.135 1.00 0.00 O ATOM 473 OD2 ASP A 30 -10.715 4.817 -11.106 1.00 0.00 O ATOM 0 H ASP A 30 -6.533 3.607 -13.036 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.150 2.689 -13.702 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.871 3.183 -11.484 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.700 4.450 -11.789 1.00 0.00 H new ATOM 478 N ARG A 31 -8.207 5.317 -15.291 1.00 0.00 N ATOM 479 CA ARG A 31 -8.568 6.215 -16.382 1.00 0.00 C ATOM 480 C ARG A 31 -8.536 5.465 -17.697 1.00 0.00 C ATOM 481 O ARG A 31 -9.375 5.700 -18.563 1.00 0.00 O ATOM 482 CB ARG A 31 -7.593 7.396 -16.405 1.00 0.00 C ATOM 483 CG ARG A 31 -7.759 8.254 -15.148 1.00 0.00 C ATOM 484 CD ARG A 31 -6.913 9.534 -15.187 1.00 0.00 C ATOM 485 NE ARG A 31 -7.378 10.484 -16.218 1.00 0.00 N ATOM 486 CZ ARG A 31 -6.808 10.773 -17.377 1.00 0.00 C ATOM 487 NH1 ARG A 31 -5.703 10.226 -17.797 1.00 0.00 N ATOM 488 NH2 ARG A 31 -7.365 11.647 -18.167 1.00 0.00 N ATOM 0 H ARG A 31 -7.212 5.346 -15.068 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.579 6.595 -16.231 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.569 7.028 -16.469 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.769 8.003 -17.293 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.809 8.521 -15.032 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.481 7.666 -14.273 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.945 10.017 -14.211 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.872 9.273 -15.380 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.246 10.979 -16.011 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.227 9.532 -17.221 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.314 10.492 -18.702 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.234 12.103 -17.891 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.932 11.875 -19.062 1.00 0.00 H new ATOM 502 N ARG A 32 -7.602 4.514 -17.819 1.00 0.00 N ATOM 503 CA ARG A 32 -7.460 3.634 -18.973 1.00 0.00 C ATOM 504 C ARG A 32 -8.409 2.452 -19.004 1.00 0.00 C ATOM 505 O ARG A 32 -8.646 1.877 -20.060 1.00 0.00 O ATOM 506 CB ARG A 32 -5.977 3.365 -19.218 1.00 0.00 C ATOM 507 CG ARG A 32 -5.593 1.971 -19.713 1.00 0.00 C ATOM 508 CD ARG A 32 -5.793 0.998 -18.557 1.00 0.00 C ATOM 509 NE ARG A 32 -4.770 -0.060 -18.468 1.00 0.00 N ATOM 510 CZ ARG A 32 -4.684 -1.176 -19.164 1.00 0.00 C ATOM 511 NH1 ARG A 32 -5.486 -1.463 -20.150 1.00 0.00 N ATOM 512 NH2 ARG A 32 -3.770 -2.036 -18.831 1.00 0.00 N ATOM 0 H ARG A 32 -6.907 4.335 -17.094 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.822 4.148 -19.864 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.617 4.093 -19.945 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.441 3.553 -18.287 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.209 1.684 -20.565 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.557 1.957 -20.050 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.800 1.559 -17.623 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.773 0.532 -18.656 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.034 0.091 -17.779 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.223 -0.809 -20.415 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.377 -2.341 -20.657 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.144 -1.838 -18.050 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.678 -2.909 -19.350 1.00 0.00 H new ATOM 526 N ASN A 33 -8.999 2.150 -17.860 1.00 0.00 N ATOM 527 CA ASN A 33 -10.113 1.202 -17.747 1.00 0.00 C ATOM 528 C ASN A 33 -11.412 1.828 -17.238 1.00 0.00 C ATOM 529 O ASN A 33 -12.222 1.153 -16.640 1.00 0.00 O ATOM 530 CB ASN A 33 -9.755 -0.050 -16.945 1.00 0.00 C ATOM 531 CG ASN A 33 -8.545 -0.807 -17.402 1.00 0.00 C ATOM 532 OD1 ASN A 33 -8.340 -1.180 -18.547 1.00 0.00 O ATOM 533 ND2 ASN A 33 -7.672 -0.990 -16.456 1.00 0.00 N ATOM 0 H ASN A 33 -8.720 2.557 -16.968 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.302 0.890 -18.774 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.604 0.241 -15.905 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.610 -0.726 -16.966 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.788 -1.456 -16.661 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.871 -0.668 -15.509 1.00 0.00 H new ATOM 540 N TYR A 34 -11.631 3.095 -17.508 1.00 0.00 N ATOM 541 CA TYR A 34 -12.934 3.702 -17.888 1.00 0.00 C ATOM 542 C TYR A 34 -13.454 3.327 -19.284 1.00 0.00 C ATOM 543 O TYR A 34 -14.634 2.997 -19.416 1.00 0.00 O ATOM 544 CB TYR A 34 -12.946 5.222 -17.708 1.00 0.00 C ATOM 545 CG TYR A 34 -12.918 5.718 -16.301 1.00 0.00 C ATOM 546 CD1 TYR A 34 -13.398 4.967 -15.212 1.00 0.00 C ATOM 547 CD2 TYR A 34 -12.305 6.958 -16.101 1.00 0.00 C ATOM 548 CE1 TYR A 34 -13.230 5.457 -13.913 1.00 0.00 C ATOM 549 CE2 TYR A 34 -12.134 7.441 -14.810 1.00 0.00 C ATOM 550 CZ TYR A 34 -12.610 6.712 -13.696 1.00 0.00 C ATOM 551 OH TYR A 34 -12.489 7.224 -12.441 1.00 0.00 O ATOM 0 H TYR A 34 -10.881 3.785 -17.473 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.633 3.253 -17.182 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.086 5.636 -18.235 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -13.838 5.618 -18.193 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -13.892 4.021 -15.378 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.966 7.538 -16.947 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.575 4.875 -13.071 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.632 8.384 -14.655 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.591 7.037 -12.097 1.00 0.00 H new ATOM 561 N PRO A 35 -12.580 3.274 -20.299 1.00 0.00 N ATOM 562 CA PRO A 35 -12.712 2.485 -21.523 1.00 0.00 C ATOM 563 C PRO A 35 -13.440 1.158 -21.349 1.00 0.00 C ATOM 564 O PRO A 35 -14.298 0.780 -22.149 1.00 0.00 O ATOM 565 CB PRO A 35 -11.258 2.291 -21.927 1.00 0.00 C ATOM 566 CG PRO A 35 -10.722 3.707 -21.700 1.00 0.00 C ATOM 567 CD PRO A 35 -11.359 4.048 -20.353 1.00 0.00 C ATOM 0 HA PRO A 35 -13.330 2.984 -22.269 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.750 1.550 -21.309 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.154 1.968 -22.963 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.633 3.734 -21.660 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.029 4.395 -22.487 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.694 3.792 -19.528 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.567 5.115 -20.275 1.00 0.00 H new ATOM 575 N THR A 36 -13.087 0.476 -20.265 1.00 0.00 N ATOM 576 CA THR A 36 -13.635 -0.837 -19.879 1.00 0.00 C ATOM 577 C THR A 36 -14.594 -0.786 -18.684 1.00 0.00 C ATOM 578 O THR A 36 -15.505 -1.606 -18.573 1.00 0.00 O ATOM 579 CB THR A 36 -12.477 -1.802 -19.591 1.00 0.00 C ATOM 580 OG1 THR A 36 -11.267 -1.121 -19.427 1.00 0.00 O ATOM 581 CG2 THR A 36 -12.212 -2.699 -20.789 1.00 0.00 C ATOM 0 H THR A 36 -12.392 0.824 -19.605 1.00 0.00 H new ATOM 0 HA THR A 36 -14.232 -1.189 -20.720 1.00 0.00 H new ATOM 0 HB THR A 36 -12.774 -2.350 -18.697 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.580 -1.746 -19.115 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.387 -3.375 -20.562 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.106 -3.280 -21.013 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.952 -2.086 -21.652 1.00 0.00 H new ATOM 589 N ASN A 37 -14.382 0.169 -17.778 1.00 0.00 N ATOM 590 CA ASN A 37 -15.052 0.371 -16.495 1.00 0.00 C ATOM 591 C ASN A 37 -15.016 -0.819 -15.535 1.00 0.00 C ATOM 592 O ASN A 37 -15.918 -1.050 -14.729 1.00 0.00 O ATOM 593 CB ASN A 37 -16.283 1.261 -16.641 1.00 0.00 C ATOM 594 CG ASN A 37 -17.551 0.579 -17.108 1.00 0.00 C ATOM 595 OD1 ASN A 37 -18.060 0.824 -18.194 1.00 0.00 O ATOM 596 ND2 ASN A 37 -18.132 -0.273 -16.307 1.00 0.00 N ATOM 0 H ASN A 37 -13.673 0.885 -17.939 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.441 0.997 -15.845 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.482 1.731 -15.678 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.046 2.061 -17.343 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -19.001 -0.727 -16.589 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.717 -0.485 -15.400 1.00 0.00 H new ATOM 603 N THR A 38 -13.839 -1.451 -15.535 1.00 0.00 N ATOM 604 CA THR A 38 -13.246 -2.084 -14.348 1.00 0.00 C ATOM 605 C THR A 38 -12.268 -1.172 -13.608 1.00 0.00 C ATOM 606 O THR A 38 -11.969 -1.432 -12.446 1.00 0.00 O ATOM 607 CB THR A 38 -12.475 -3.370 -14.687 1.00 0.00 C ATOM 608 OG1 THR A 38 -12.847 -3.879 -15.950 1.00 0.00 O ATOM 609 CG2 THR A 38 -12.714 -4.474 -13.661 1.00 0.00 C ATOM 0 H THR A 38 -13.261 -1.540 -16.371 1.00 0.00 H new ATOM 0 HA THR A 38 -14.105 -2.306 -13.715 1.00 0.00 H new ATOM 0 HB THR A 38 -11.422 -3.087 -14.685 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.338 -4.695 -16.137 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.148 -5.362 -13.944 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.388 -4.134 -12.678 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.776 -4.716 -13.628 1.00 0.00 H new ATOM 617 N TYR A 39 -11.766 -0.111 -14.256 1.00 0.00 N ATOM 618 CA TYR A 39 -10.885 0.886 -13.690 1.00 0.00 C ATOM 619 C TYR A 39 -9.654 0.267 -12.995 1.00 0.00 C ATOM 620 O TYR A 39 -8.886 -0.440 -13.656 1.00 0.00 O ATOM 621 CB TYR A 39 -11.683 2.061 -13.078 1.00 0.00 C ATOM 622 CG TYR A 39 -12.900 1.824 -12.191 1.00 0.00 C ATOM 623 CD1 TYR A 39 -14.084 1.290 -12.735 1.00 0.00 C ATOM 624 CD2 TYR A 39 -12.911 2.285 -10.861 1.00 0.00 C ATOM 625 CE1 TYR A 39 -15.233 1.115 -11.943 1.00 0.00 C ATOM 626 CE2 TYR A 39 -14.065 2.141 -10.064 1.00 0.00 C ATOM 627 CZ TYR A 39 -15.225 1.538 -10.596 1.00 0.00 C ATOM 628 OH TYR A 39 -16.331 1.388 -9.815 1.00 0.00 O ATOM 0 H TYR A 39 -11.982 0.072 -15.236 1.00 0.00 H new ATOM 0 HA TYR A 39 -10.336 1.440 -14.451 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.977 2.653 -12.495 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -12.013 2.685 -13.908 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -14.110 1.010 -13.778 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -12.029 2.752 -10.448 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -16.117 0.659 -12.363 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.061 2.493 -9.043 1.00 0.00 H new ATOM 0 HH TYR A 39 -16.146 1.733 -8.916 1.00 0.00 H new ATOM 638 N LYS A 40 -9.409 0.551 -11.719 1.00 0.00 N ATOM 639 CA LYS A 40 -8.296 0.092 -10.917 1.00 0.00 C ATOM 640 C LYS A 40 -8.641 0.526 -9.498 1.00 0.00 C ATOM 641 O LYS A 40 -8.833 1.708 -9.218 1.00 0.00 O ATOM 642 CB LYS A 40 -6.977 0.708 -11.387 1.00 0.00 C ATOM 643 CG LYS A 40 -5.842 0.015 -10.634 1.00 0.00 C ATOM 644 CD LYS A 40 -5.170 -1.163 -11.352 1.00 0.00 C ATOM 645 CE LYS A 40 -6.121 -2.208 -11.946 1.00 0.00 C ATOM 646 NZ LYS A 40 -5.350 -3.327 -12.535 1.00 0.00 N ATOM 0 H LYS A 40 -10.035 1.154 -11.185 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.153 -0.986 -10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.857 0.578 -12.463 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.966 1.780 -11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.078 0.758 -10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.232 -0.342 -9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.547 -0.768 -12.154 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.505 -1.662 -10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.788 -2.585 -11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.748 -1.747 -12.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.992 -3.950 -13.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.625 -2.949 -13.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.891 -3.870 -11.776 1.00 0.00 H new ATOM 660 N THR A 41 -8.888 -0.464 -8.661 1.00 0.00 N ATOM 661 CA THR A 41 -9.977 -0.368 -7.685 1.00 0.00 C ATOM 662 C THR A 41 -9.498 -0.888 -6.344 1.00 0.00 C ATOM 663 O THR A 41 -9.137 -0.110 -5.461 1.00 0.00 O ATOM 664 CB THR A 41 -11.195 -1.142 -8.236 1.00 0.00 C ATOM 665 OG1 THR A 41 -10.782 -2.392 -8.759 1.00 0.00 O ATOM 666 CG2 THR A 41 -11.835 -0.398 -9.400 1.00 0.00 C ATOM 0 H THR A 41 -8.361 -1.337 -8.630 1.00 0.00 H new ATOM 0 HA THR A 41 -10.285 0.666 -7.528 1.00 0.00 H new ATOM 0 HB THR A 41 -11.897 -1.256 -7.410 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.561 -2.876 -9.104 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.690 -0.965 -9.768 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.168 0.584 -9.065 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.106 -0.280 -10.201 1.00 0.00 H new ATOM 674 N LEU A 42 -9.367 -2.209 -6.244 1.00 0.00 N ATOM 675 CA LEU A 42 -8.761 -2.878 -5.094 1.00 0.00 C ATOM 676 C LEU A 42 -7.274 -2.519 -5.057 1.00 0.00 C ATOM 677 O LEU A 42 -6.768 -2.138 -4.017 1.00 0.00 O ATOM 678 CB LEU A 42 -9.051 -4.396 -4.980 1.00 0.00 C ATOM 679 CG LEU A 42 -10.059 -5.072 -5.906 1.00 0.00 C ATOM 680 CD1 LEU A 42 -11.405 -4.381 -5.816 1.00 0.00 C ATOM 681 CD2 LEU A 42 -9.584 -5.251 -7.350 1.00 0.00 C ATOM 0 H LEU A 42 -9.683 -2.854 -6.969 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.245 -2.502 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.101 -4.914 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.380 -4.583 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.167 -6.094 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.113 -4.875 -6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.773 -4.434 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.298 -3.337 -6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.366 -5.739 -7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.364 -4.276 -7.784 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.684 -5.866 -7.363 1.00 0.00 H new ATOM 693 N GLU A 43 -6.597 -2.530 -6.209 1.00 0.00 N ATOM 694 CA GLU A 43 -5.184 -2.141 -6.355 1.00 0.00 C ATOM 695 C GLU A 43 -4.888 -0.670 -6.078 1.00 0.00 C ATOM 696 O GLU A 43 -3.866 -0.378 -5.456 1.00 0.00 O ATOM 697 CB GLU A 43 -4.667 -2.549 -7.737 1.00 0.00 C ATOM 698 CG GLU A 43 -4.524 -4.068 -7.737 1.00 0.00 C ATOM 699 CD GLU A 43 -3.983 -4.637 -9.059 1.00 0.00 C ATOM 700 OE1 GLU A 43 -4.598 -4.416 -10.127 1.00 0.00 O ATOM 701 OE2 GLU A 43 -2.955 -5.355 -9.019 1.00 0.00 O ATOM 0 H GLU A 43 -7.024 -2.816 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.648 -2.684 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.358 -2.228 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.709 -2.073 -7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.858 -4.362 -6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.496 -4.516 -7.529 1.00 0.00 H new ATOM 708 N LEU A 44 -5.774 0.252 -6.471 1.00 0.00 N ATOM 709 CA LEU A 44 -5.674 1.645 -6.034 1.00 0.00 C ATOM 710 C LEU A 44 -5.751 1.723 -4.501 1.00 0.00 C ATOM 711 O LEU A 44 -4.908 2.368 -3.890 1.00 0.00 O ATOM 712 CB LEU A 44 -6.752 2.492 -6.723 1.00 0.00 C ATOM 713 CG LEU A 44 -6.593 4.009 -6.482 1.00 0.00 C ATOM 714 CD1 LEU A 44 -5.509 4.655 -7.328 1.00 0.00 C ATOM 715 CD2 LEU A 44 -7.907 4.710 -6.818 1.00 0.00 C ATOM 0 H LEU A 44 -6.563 0.058 -7.087 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.708 2.056 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.725 2.298 -7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.733 2.177 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.312 4.119 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.458 5.720 -7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.548 4.190 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.742 4.519 -8.384 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.801 5.782 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.159 4.530 -7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.701 4.320 -6.181 1.00 0.00 H new ATOM 727 N GLU A 45 -6.699 1.030 -3.865 1.00 0.00 N ATOM 728 CA GLU A 45 -6.821 0.997 -2.400 1.00 0.00 C ATOM 729 C GLU A 45 -5.677 0.249 -1.688 1.00 0.00 C ATOM 730 O GLU A 45 -5.289 0.677 -0.605 1.00 0.00 O ATOM 731 CB GLU A 45 -8.194 0.455 -1.976 1.00 0.00 C ATOM 732 CG GLU A 45 -9.286 1.499 -2.205 1.00 0.00 C ATOM 733 CD GLU A 45 -10.679 0.960 -1.822 1.00 0.00 C ATOM 734 OE1 GLU A 45 -11.037 1.002 -0.620 1.00 0.00 O ATOM 735 OE2 GLU A 45 -11.440 0.519 -2.717 1.00 0.00 O ATOM 0 H GLU A 45 -7.405 0.475 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.734 2.033 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.424 -0.448 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.169 0.174 -0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.066 2.390 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.288 1.800 -3.253 1.00 0.00 H new ATOM 742 N ILE A 46 -5.092 -0.806 -2.271 1.00 0.00 N ATOM 743 CA ILE A 46 -3.856 -1.458 -1.783 1.00 0.00 C ATOM 744 C ILE A 46 -2.730 -0.437 -1.767 1.00 0.00 C ATOM 745 O ILE A 46 -2.149 -0.170 -0.712 1.00 0.00 O ATOM 746 CB ILE A 46 -3.439 -2.665 -2.661 1.00 0.00 C ATOM 747 CG1 ILE A 46 -4.442 -3.800 -2.477 1.00 0.00 C ATOM 748 CG2 ILE A 46 -2.026 -3.190 -2.336 1.00 0.00 C ATOM 749 CD1 ILE A 46 -4.405 -4.871 -3.569 1.00 0.00 C ATOM 0 H ILE A 46 -5.468 -1.243 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.054 -1.836 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.427 -2.314 -3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.258 -4.276 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.446 -3.376 -2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.794 -4.035 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.297 -2.396 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.987 -3.511 -1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.151 -5.636 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.621 -4.414 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.416 -5.328 -3.597 1.00 0.00 H new ATOM 761 N ALA A 47 -2.433 0.126 -2.943 1.00 0.00 N ATOM 762 CA ALA A 47 -1.369 1.112 -3.080 1.00 0.00 C ATOM 763 C ALA A 47 -1.590 2.326 -2.166 1.00 0.00 C ATOM 764 O ALA A 47 -0.677 2.714 -1.446 1.00 0.00 O ATOM 765 CB ALA A 47 -1.232 1.513 -4.553 1.00 0.00 C ATOM 0 H ALA A 47 -2.920 -0.089 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.430 0.663 -2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.436 2.251 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.991 0.633 -5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.171 1.941 -4.902 1.00 0.00 H new ATOM 771 N GLU A 48 -2.793 2.902 -2.134 1.00 0.00 N ATOM 772 CA GLU A 48 -3.091 4.044 -1.259 1.00 0.00 C ATOM 773 C GLU A 48 -2.950 3.672 0.222 1.00 0.00 C ATOM 774 O GLU A 48 -2.222 4.349 0.949 1.00 0.00 O ATOM 775 CB GLU A 48 -4.488 4.628 -1.531 1.00 0.00 C ATOM 776 CG GLU A 48 -4.530 5.478 -2.810 1.00 0.00 C ATOM 777 CD GLU A 48 -5.888 6.194 -2.973 1.00 0.00 C ATOM 778 OE1 GLU A 48 -6.955 5.538 -2.900 1.00 0.00 O ATOM 779 OE2 GLU A 48 -5.896 7.433 -3.181 1.00 0.00 O ATOM 0 H GLU A 48 -3.581 2.597 -2.705 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.354 4.813 -1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.209 3.814 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.795 5.239 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.729 6.217 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.347 4.842 -3.676 1.00 0.00 H new ATOM 786 N SER A 49 -3.600 2.596 0.679 1.00 0.00 N ATOM 787 CA SER A 49 -3.599 2.225 2.095 1.00 0.00 C ATOM 788 C SER A 49 -2.204 1.846 2.617 1.00 0.00 C ATOM 789 O SER A 49 -1.823 2.320 3.686 1.00 0.00 O ATOM 790 CB SER A 49 -4.609 1.117 2.367 1.00 0.00 C ATOM 791 OG SER A 49 -5.926 1.510 2.023 1.00 0.00 O ATOM 0 H SER A 49 -4.136 1.965 0.083 1.00 0.00 H new ATOM 0 HA SER A 49 -3.900 3.114 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.335 0.228 1.799 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.575 0.845 3.422 1.00 0.00 H new ATOM 0 HG SER A 49 -6.077 1.347 1.069 1.00 0.00 H new ATOM 797 N ASP A 50 -1.403 1.054 1.888 1.00 0.00 N ATOM 798 CA ASP A 50 -0.012 0.784 2.275 1.00 0.00 C ATOM 799 C ASP A 50 0.875 2.051 2.265 1.00 0.00 C ATOM 800 O ASP A 50 1.654 2.272 3.192 1.00 0.00 O ATOM 801 CB ASP A 50 0.586 -0.287 1.356 1.00 0.00 C ATOM 802 CG ASP A 50 1.992 -0.681 1.831 1.00 0.00 C ATOM 803 OD1 ASP A 50 2.117 -1.354 2.879 1.00 0.00 O ATOM 804 OD2 ASP A 50 2.994 -0.297 1.182 1.00 0.00 O ATOM 0 H ASP A 50 -1.696 0.590 1.028 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.032 0.424 3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.059 -1.165 1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.633 0.088 0.334 1.00 0.00 H new ATOM 809 N VAL A 51 0.765 2.912 1.246 1.00 0.00 N ATOM 810 CA VAL A 51 1.609 4.117 1.106 1.00 0.00 C ATOM 811 C VAL A 51 1.250 5.178 2.150 1.00 0.00 C ATOM 812 O VAL A 51 2.109 5.918 2.628 1.00 0.00 O ATOM 813 CB VAL A 51 1.559 4.663 -0.333 1.00 0.00 C ATOM 814 CG1 VAL A 51 2.238 6.025 -0.485 1.00 0.00 C ATOM 815 CG2 VAL A 51 2.276 3.676 -1.269 1.00 0.00 C ATOM 0 H VAL A 51 0.089 2.797 0.491 1.00 0.00 H new ATOM 0 HA VAL A 51 2.643 3.831 1.301 1.00 0.00 H new ATOM 0 HB VAL A 51 0.505 4.781 -0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.168 6.353 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.744 6.752 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.287 5.942 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.245 4.055 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.314 3.565 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.778 2.707 -1.227 1.00 0.00 H new ATOM 825 N GLU A 52 0.000 5.227 2.593 1.00 0.00 N ATOM 826 CA GLU A 52 -0.393 6.055 3.732 1.00 0.00 C ATOM 827 C GLU A 52 -0.033 5.457 5.103 1.00 0.00 C ATOM 828 O GLU A 52 0.094 6.207 6.070 1.00 0.00 O ATOM 829 CB GLU A 52 -1.891 6.376 3.651 1.00 0.00 C ATOM 830 CG GLU A 52 -2.207 7.417 2.576 1.00 0.00 C ATOM 831 CD GLU A 52 -3.689 7.836 2.624 1.00 0.00 C ATOM 832 OE1 GLU A 52 -4.037 8.754 3.408 1.00 0.00 O ATOM 833 OE2 GLU A 52 -4.519 7.266 1.875 1.00 0.00 O ATOM 0 H GLU A 52 -0.767 4.699 2.178 1.00 0.00 H new ATOM 0 HA GLU A 52 0.190 6.973 3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.445 5.461 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.234 6.741 4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.574 8.293 2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.973 7.010 1.592 1.00 0.00 H new ATOM 840 N VAL A 53 0.231 4.148 5.210 1.00 0.00 N ATOM 841 CA VAL A 53 0.873 3.574 6.407 1.00 0.00 C ATOM 842 C VAL A 53 2.330 4.027 6.470 1.00 0.00 C ATOM 843 O VAL A 53 2.846 4.319 7.548 1.00 0.00 O ATOM 844 CB VAL A 53 0.741 2.036 6.429 1.00 0.00 C ATOM 845 CG1 VAL A 53 1.750 1.328 7.342 1.00 0.00 C ATOM 846 CG2 VAL A 53 -0.668 1.664 6.890 1.00 0.00 C ATOM 0 H VAL A 53 0.011 3.465 4.485 1.00 0.00 H new ATOM 0 HA VAL A 53 0.363 3.940 7.298 1.00 0.00 H new ATOM 0 HB VAL A 53 0.947 1.701 5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.587 0.251 7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.763 1.556 7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.618 1.673 8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.770 0.579 6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.841 2.062 7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.400 2.086 6.201 1.00 0.00 H new ATOM 856 N LYS A 54 2.970 4.185 5.305 1.00 0.00 N ATOM 857 CA LYS A 54 4.309 4.746 5.171 1.00 0.00 C ATOM 858 C LYS A 54 4.297 6.193 5.637 1.00 0.00 C ATOM 859 O LYS A 54 5.068 6.563 6.519 1.00 0.00 O ATOM 860 CB LYS A 54 4.760 4.608 3.707 1.00 0.00 C ATOM 861 CG LYS A 54 5.670 3.392 3.511 1.00 0.00 C ATOM 862 CD LYS A 54 4.848 2.098 3.464 1.00 0.00 C ATOM 863 CE LYS A 54 5.763 0.875 3.343 1.00 0.00 C ATOM 864 NZ LYS A 54 4.976 -0.371 3.170 1.00 0.00 N ATOM 0 H LYS A 54 2.557 3.918 4.411 1.00 0.00 H new ATOM 0 HA LYS A 54 5.023 4.208 5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.885 4.516 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.288 5.511 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.237 3.502 2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.394 3.339 4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.240 2.015 4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.161 2.129 2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.436 1.004 2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.385 0.794 4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.621 -1.186 3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.328 -0.487 3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.427 -0.315 2.289 1.00 0.00 H new ATOM 878 N LYS A 55 3.349 6.979 5.120 1.00 0.00 N ATOM 879 CA LYS A 55 3.095 8.356 5.553 1.00 0.00 C ATOM 880 C LYS A 55 2.930 8.479 7.066 1.00 0.00 C ATOM 881 O LYS A 55 3.561 9.339 7.672 1.00 0.00 O ATOM 882 CB LYS A 55 1.866 8.912 4.801 1.00 0.00 C ATOM 883 CG LYS A 55 1.796 10.440 4.718 1.00 0.00 C ATOM 884 CD LYS A 55 3.080 11.004 4.092 1.00 0.00 C ATOM 885 CE LYS A 55 4.014 11.583 5.172 1.00 0.00 C ATOM 886 NZ LYS A 55 3.791 13.035 5.402 1.00 0.00 N ATOM 0 H LYS A 55 2.725 6.671 4.375 1.00 0.00 H new ATOM 0 HA LYS A 55 3.971 8.954 5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.864 8.508 3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.963 8.548 5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.933 10.739 4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.656 10.858 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.597 10.217 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.826 11.781 3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.861 11.043 6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.050 11.421 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.951 13.256 6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.452 13.585 4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.814 13.281 5.145 1.00 0.00 H new ATOM 900 N ALA A 56 2.137 7.597 7.671 1.00 0.00 N ATOM 901 CA ALA A 56 1.913 7.587 9.114 1.00 0.00 C ATOM 902 C ALA A 56 3.223 7.334 9.880 1.00 0.00 C ATOM 903 O ALA A 56 3.572 8.096 10.780 1.00 0.00 O ATOM 904 CB ALA A 56 0.824 6.561 9.445 1.00 0.00 C ATOM 0 H ALA A 56 1.630 6.866 7.171 1.00 0.00 H new ATOM 0 HA ALA A 56 1.564 8.567 9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.651 6.548 10.521 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.099 6.832 8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.144 5.572 9.117 1.00 0.00 H new ATOM 910 N GLU A 57 3.997 6.317 9.492 1.00 0.00 N ATOM 911 CA GLU A 57 5.301 6.035 10.104 1.00 0.00 C ATOM 912 C GLU A 57 6.311 7.179 9.973 1.00 0.00 C ATOM 913 O GLU A 57 6.988 7.487 10.954 1.00 0.00 O ATOM 914 CB GLU A 57 5.893 4.728 9.563 1.00 0.00 C ATOM 915 CG GLU A 57 5.109 3.543 10.116 1.00 0.00 C ATOM 916 CD GLU A 57 5.909 2.233 9.984 1.00 0.00 C ATOM 917 OE1 GLU A 57 5.931 1.635 8.882 1.00 0.00 O ATOM 918 OE2 GLU A 57 6.530 1.797 10.984 1.00 0.00 O ATOM 0 H GLU A 57 3.740 5.668 8.748 1.00 0.00 H new ATOM 0 HA GLU A 57 5.105 5.927 11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.857 4.724 8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.942 4.647 9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.868 3.721 11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.163 3.449 9.583 1.00 0.00 H new ATOM 925 N LEU A 58 6.400 7.851 8.820 1.00 0.00 N ATOM 926 CA LEU A 58 7.251 9.041 8.689 1.00 0.00 C ATOM 927 C LEU A 58 6.792 10.186 9.609 1.00 0.00 C ATOM 928 O LEU A 58 7.629 10.907 10.144 1.00 0.00 O ATOM 929 CB LEU A 58 7.364 9.510 7.227 1.00 0.00 C ATOM 930 CG LEU A 58 7.888 8.469 6.222 1.00 0.00 C ATOM 931 CD1 LEU A 58 8.089 9.175 4.889 1.00 0.00 C ATOM 932 CD2 LEU A 58 9.205 7.828 6.663 1.00 0.00 C ATOM 0 H LEU A 58 5.898 7.595 7.970 1.00 0.00 H new ATOM 0 HA LEU A 58 8.248 8.745 9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.380 9.842 6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.021 10.379 7.195 1.00 0.00 H new ATOM 0 HG LEU A 58 7.158 7.663 6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.461 8.463 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.139 9.586 4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.811 9.982 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.525 7.103 5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.967 8.600 6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.062 7.324 7.619 1.00 0.00 H new ATOM 944 N GLU A 59 5.493 10.352 9.874 1.00 0.00 N ATOM 945 CA GLU A 59 5.042 11.337 10.859 1.00 0.00 C ATOM 946 C GLU A 59 5.390 10.917 12.296 1.00 0.00 C ATOM 947 O GLU A 59 5.646 11.774 13.137 1.00 0.00 O ATOM 948 CB GLU A 59 3.545 11.621 10.699 1.00 0.00 C ATOM 949 CG GLU A 59 3.194 12.338 9.385 1.00 0.00 C ATOM 950 CD GLU A 59 3.966 13.651 9.140 1.00 0.00 C ATOM 951 OE1 GLU A 59 4.151 14.462 10.081 1.00 0.00 O ATOM 952 OE2 GLU A 59 4.382 13.881 7.980 1.00 0.00 O ATOM 0 H GLU A 59 4.744 9.824 9.426 1.00 0.00 H new ATOM 0 HA GLU A 59 5.582 12.264 10.667 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.997 10.680 10.748 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.207 12.230 11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.386 11.659 8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.126 12.554 9.379 1.00 0.00 H new ATOM 959 N LEU A 60 5.480 9.619 12.597 1.00 0.00 N ATOM 960 CA LEU A 60 5.997 9.140 13.876 1.00 0.00 C ATOM 961 C LEU A 60 7.526 9.214 14.003 1.00 0.00 C ATOM 962 O LEU A 60 8.003 9.369 15.128 1.00 0.00 O ATOM 963 CB LEU A 60 5.455 7.737 14.178 1.00 0.00 C ATOM 964 CG LEU A 60 4.068 7.709 14.841 1.00 0.00 C ATOM 965 CD1 LEU A 60 3.987 8.578 16.101 1.00 0.00 C ATOM 966 CD2 LEU A 60 2.923 8.121 13.915 1.00 0.00 C ATOM 0 H LEU A 60 5.196 8.874 11.961 1.00 0.00 H new ATOM 0 HA LEU A 60 5.629 9.828 14.638 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.408 7.173 13.246 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.163 7.222 14.827 1.00 0.00 H new ATOM 0 HG LEU A 60 3.945 6.659 15.105 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.983 8.516 16.522 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.711 8.223 16.835 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.209 9.614 15.844 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.980 8.074 14.460 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.088 9.139 13.563 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.883 7.444 13.062 1.00 0.00 H new ATOM 978 N VAL A 61 8.293 9.213 12.901 1.00 0.00 N ATOM 979 CA VAL A 61 9.716 9.625 12.917 1.00 0.00 C ATOM 980 C VAL A 61 9.867 11.040 13.498 1.00 0.00 C ATOM 981 O VAL A 61 10.802 11.301 14.257 1.00 0.00 O ATOM 982 CB VAL A 61 10.397 9.467 11.539 1.00 0.00 C ATOM 983 CG1 VAL A 61 11.814 10.057 11.488 1.00 0.00 C ATOM 984 CG2 VAL A 61 10.511 7.988 11.151 1.00 0.00 C ATOM 0 H VAL A 61 7.954 8.931 11.981 1.00 0.00 H new ATOM 0 HA VAL A 61 10.248 8.943 13.580 1.00 0.00 H new ATOM 0 HB VAL A 61 9.760 10.015 10.845 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.233 9.912 10.492 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.773 11.123 11.712 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.443 9.556 12.223 1.00 0.00 H new ATOM 0 HG21 VAL A 61 10.994 7.903 10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.105 7.461 11.897 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.515 7.547 11.102 1.00 0.00 H new ATOM 994 N LYS A 62 8.901 11.932 13.232 1.00 0.00 N ATOM 995 CA LYS A 62 8.763 13.218 13.934 1.00 0.00 C ATOM 996 C LYS A 62 8.524 13.034 15.430 1.00 0.00 C ATOM 997 O LYS A 62 9.311 13.536 16.229 1.00 0.00 O ATOM 998 CB LYS A 62 7.625 14.052 13.321 1.00 0.00 C ATOM 999 CG LYS A 62 7.866 15.565 13.408 1.00 0.00 C ATOM 1000 CD LYS A 62 8.243 16.194 12.057 1.00 0.00 C ATOM 1001 CE LYS A 62 7.222 15.957 10.923 1.00 0.00 C ATOM 1002 NZ LYS A 62 5.829 16.341 11.275 1.00 0.00 N ATOM 0 H LYS A 62 8.188 11.781 12.518 1.00 0.00 H new ATOM 0 HA LYS A 62 9.707 13.750 13.811 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.500 13.771 12.275 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.692 13.810 13.830 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.967 16.049 13.789 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.662 15.759 14.127 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.368 17.268 12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.209 15.798 11.745 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.533 16.522 10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.239 14.903 10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.189 15.546 11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.780 16.579 12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.543 17.167 10.711 1.00 0.00 H new ATOM 1016 N GLU A 63 7.443 12.347 15.813 1.00 0.00 N ATOM 1017 CA GLU A 63 6.935 12.371 17.183 1.00 0.00 C ATOM 1018 C GLU A 63 7.889 11.690 18.160 1.00 0.00 C ATOM 1019 O GLU A 63 8.015 12.142 19.293 1.00 0.00 O ATOM 1020 CB GLU A 63 5.555 11.710 17.248 1.00 0.00 C ATOM 1021 CG GLU A 63 4.441 12.541 16.594 1.00 0.00 C ATOM 1022 CD GLU A 63 4.244 13.895 17.303 1.00 0.00 C ATOM 1023 OE1 GLU A 63 3.743 13.916 18.453 1.00 0.00 O ATOM 1024 OE2 GLU A 63 4.615 14.944 16.727 1.00 0.00 O ATOM 0 H GLU A 63 6.898 11.760 15.181 1.00 0.00 H new ATOM 0 HA GLU A 63 6.851 13.416 17.481 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.605 10.737 16.759 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.297 11.530 18.292 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.684 12.712 15.545 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.507 11.979 16.618 1.00 0.00 H new ATOM 1031 N GLU A 64 8.583 10.635 17.729 1.00 0.00 N ATOM 1032 CA GLU A 64 9.573 9.947 18.551 1.00 0.00 C ATOM 1033 C GLU A 64 10.831 10.801 18.799 1.00 0.00 C ATOM 1034 O GLU A 64 11.310 10.874 19.930 1.00 0.00 O ATOM 1035 CB GLU A 64 9.880 8.568 17.942 1.00 0.00 C ATOM 1036 CG GLU A 64 10.842 8.552 16.742 1.00 0.00 C ATOM 1037 CD GLU A 64 11.023 7.138 16.157 1.00 0.00 C ATOM 1038 OE1 GLU A 64 11.004 6.156 16.938 1.00 0.00 O ATOM 1039 OE2 GLU A 64 11.243 6.999 14.932 1.00 0.00 O ATOM 0 H GLU A 64 8.472 10.235 16.797 1.00 0.00 H new ATOM 0 HA GLU A 64 9.153 9.786 19.544 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.298 7.934 18.724 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.939 8.114 17.632 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.463 9.218 15.967 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.812 8.942 17.051 1.00 0.00 H new ATOM 1046 N ALA A 65 11.359 11.481 17.774 1.00 0.00 N ATOM 1047 CA ALA A 65 12.643 12.192 17.858 1.00 0.00 C ATOM 1048 C ALA A 65 12.540 13.594 18.503 1.00 0.00 C ATOM 1049 O ALA A 65 13.553 14.265 18.723 1.00 0.00 O ATOM 1050 CB ALA A 65 13.242 12.228 16.451 1.00 0.00 C ATOM 0 H ALA A 65 10.909 11.555 16.862 1.00 0.00 H new ATOM 0 HA ALA A 65 13.306 11.653 18.535 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.199 12.750 16.476 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.394 11.209 16.094 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.561 12.750 15.779 1.00 0.00 H new ATOM 1056 N LYS A 66 11.313 14.020 18.817 1.00 0.00 N ATOM 1057 CA LYS A 66 10.925 15.238 19.544 1.00 0.00 C ATOM 1058 C LYS A 66 10.459 14.970 20.988 1.00 0.00 C ATOM 1059 O LYS A 66 10.442 15.861 21.837 1.00 0.00 O ATOM 1060 CB LYS A 66 10.069 16.084 18.616 1.00 0.00 C ATOM 1061 CG LYS A 66 8.651 15.596 18.469 1.00 0.00 C ATOM 1062 CD LYS A 66 7.785 16.126 19.600 1.00 0.00 C ATOM 1063 CE LYS A 66 6.535 15.253 19.762 1.00 0.00 C ATOM 1064 NZ LYS A 66 5.812 15.524 21.026 1.00 0.00 N ATOM 0 H LYS A 66 10.493 13.476 18.547 1.00 0.00 H new ATOM 0 HA LYS A 66 11.780 15.871 19.782 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.052 17.108 18.988 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.536 16.110 17.632 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.246 15.921 17.510 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.633 14.506 18.470 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.354 16.136 20.530 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.494 17.156 19.393 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.864 15.425 18.920 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.823 14.202 19.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.789 15.423 20.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.119 14.847 21.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.020 16.492 21.344 1.00 0.00 H new ATOM 1078 N GLU A 67 10.132 13.714 21.261 1.00 0.00 N ATOM 1079 CA GLU A 67 10.031 13.075 22.555 1.00 0.00 C ATOM 1080 C GLU A 67 11.406 12.709 22.953 1.00 0.00 C ATOM 1081 O GLU A 67 12.351 12.818 22.154 1.00 0.00 O ATOM 1082 CB GLU A 67 9.229 11.763 22.383 1.00 0.00 C ATOM 1083 CG GLU A 67 7.788 11.729 22.875 1.00 0.00 C ATOM 1084 CD GLU A 67 7.336 12.972 23.667 1.00 0.00 C ATOM 1085 OE1 GLU A 67 6.909 13.971 23.040 1.00 0.00 O ATOM 1086 OE2 GLU A 67 7.408 12.953 24.918 1.00 0.00 O ATOM 0 H GLU A 67 9.911 13.061 20.509 1.00 0.00 H new ATOM 0 HA GLU A 67 9.552 13.725 23.287 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.224 11.513 21.322 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.774 10.970 22.895 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.130 11.607 22.015 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.656 10.849 23.505 1.00 0.00 H new ATOM 1093 N PRO A 68 11.522 12.181 24.181 1.00 0.00 N ATOM 1094 CA PRO A 68 12.805 11.742 24.598 1.00 0.00 C ATOM 1095 C PRO A 68 13.207 10.376 24.103 1.00 0.00 C ATOM 1096 O PRO A 68 13.943 9.585 24.701 1.00 0.00 O ATOM 1097 CB PRO A 68 12.725 11.807 26.075 1.00 0.00 C ATOM 1098 CG PRO A 68 11.382 11.124 26.246 1.00 0.00 C ATOM 1099 CD PRO A 68 10.566 11.919 25.249 1.00 0.00 C ATOM 0 HA PRO A 68 13.589 12.369 24.173 1.00 0.00 H new ATOM 0 HB2 PRO A 68 13.538 11.275 26.568 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.734 12.828 26.457 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.419 10.062 26.004 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.997 11.206 27.262 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.705 11.355 24.891 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.184 12.842 25.685 1.00 0.00 H new ATOM 1107 N ARG A 69 12.525 10.097 23.023 1.00 0.00 N ATOM 1108 CA ARG A 69 12.197 8.853 22.490 1.00 0.00 C ATOM 1109 C ARG A 69 11.666 7.957 23.584 1.00 0.00 C ATOM 1110 O ARG A 69 12.127 6.847 23.846 1.00 0.00 O ATOM 1111 CB ARG A 69 13.436 8.553 21.673 1.00 0.00 C ATOM 1112 CG ARG A 69 12.956 7.987 20.363 1.00 0.00 C ATOM 1113 CD ARG A 69 12.522 6.561 20.703 1.00 0.00 C ATOM 1114 NE ARG A 69 12.048 5.783 19.551 1.00 0.00 N ATOM 1115 CZ ARG A 69 12.043 4.467 19.456 1.00 0.00 C ATOM 1116 NH1 ARG A 69 12.535 3.699 20.384 1.00 0.00 N ATOM 1117 NH2 ARG A 69 11.520 3.908 18.411 1.00 0.00 N ATOM 0 H ARG A 69 12.153 10.850 22.444 1.00 0.00 H new ATOM 0 HA ARG A 69 11.355 8.731 21.809 1.00 0.00 H new ATOM 0 HB2 ARG A 69 14.024 9.457 21.513 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.080 7.842 22.191 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.128 8.569 19.958 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.747 7.994 19.613 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.362 6.037 21.160 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.729 6.603 21.449 1.00 0.00 H new ATOM 0 HE ARG A 69 11.690 6.307 18.752 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.944 4.111 21.223 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.512 2.685 20.272 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.117 4.484 17.672 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.511 2.891 18.327 1.00 0.00 H new ATOM 1131 N ASN A 70 10.578 8.492 24.142 1.00 0.00 N ATOM 1132 CA ASN A 70 9.593 7.695 24.819 1.00 0.00 C ATOM 1133 C ASN A 70 8.785 6.954 23.751 1.00 0.00 C ATOM 1134 O ASN A 70 7.716 7.371 23.310 1.00 0.00 O ATOM 1135 CB ASN A 70 8.724 8.501 25.801 1.00 0.00 C ATOM 1136 CG ASN A 70 7.761 7.576 26.538 1.00 0.00 C ATOM 1137 OD1 ASN A 70 7.990 6.381 26.667 1.00 0.00 O ATOM 1138 ND2 ASN A 70 6.646 8.072 27.018 1.00 0.00 N ATOM 0 H ASN A 70 10.369 9.490 24.129 1.00 0.00 H new ATOM 0 HA ASN A 70 10.089 6.971 25.466 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.360 9.021 26.518 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.164 9.264 25.260 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.980 7.463 27.493 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.445 9.067 26.916 1.00 0.00 H new ATOM 1145 N GLU A 71 9.386 5.850 23.333 1.00 0.00 N ATOM 1146 CA GLU A 71 8.926 4.812 22.416 1.00 0.00 C ATOM 1147 C GLU A 71 7.423 4.485 22.489 1.00 0.00 C ATOM 1148 O GLU A 71 6.822 4.110 21.486 1.00 0.00 O ATOM 1149 CB GLU A 71 9.801 3.595 22.731 1.00 0.00 C ATOM 1150 CG GLU A 71 9.630 2.533 21.663 1.00 0.00 C ATOM 1151 CD GLU A 71 10.592 1.342 21.834 1.00 0.00 C ATOM 1152 OE1 GLU A 71 10.419 0.540 22.783 1.00 0.00 O ATOM 1153 OE2 GLU A 71 11.526 1.203 21.005 1.00 0.00 O ATOM 0 H GLU A 71 10.324 5.632 23.670 1.00 0.00 H new ATOM 0 HA GLU A 71 9.031 5.157 21.387 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.847 3.896 22.790 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.531 3.187 23.705 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.603 2.168 21.683 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.789 2.983 20.683 1.00 0.00 H new ATOM 1160 N GLU A 72 6.788 4.702 23.640 1.00 0.00 N ATOM 1161 CA GLU A 72 5.352 4.535 23.855 1.00 0.00 C ATOM 1162 C GLU A 72 4.511 5.258 22.794 1.00 0.00 C ATOM 1163 O GLU A 72 3.503 4.718 22.329 1.00 0.00 O ATOM 1164 CB GLU A 72 4.999 5.083 25.242 1.00 0.00 C ATOM 1165 CG GLU A 72 5.465 4.169 26.383 1.00 0.00 C ATOM 1166 CD GLU A 72 5.115 4.726 27.783 1.00 0.00 C ATOM 1167 OE1 GLU A 72 4.980 5.963 27.962 1.00 0.00 O ATOM 1168 OE2 GLU A 72 4.969 3.913 28.729 1.00 0.00 O ATOM 0 H GLU A 72 7.278 5.010 24.480 1.00 0.00 H new ATOM 0 HA GLU A 72 5.122 3.472 23.780 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.452 6.067 25.364 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.920 5.218 25.310 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.008 3.186 26.264 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.544 4.030 26.312 1.00 0.00 H new ATOM 1175 N LYS A 73 4.913 6.477 22.402 1.00 0.00 N ATOM 1176 CA LYS A 73 4.089 7.331 21.535 1.00 0.00 C ATOM 1177 C LYS A 73 4.095 6.882 20.071 1.00 0.00 C ATOM 1178 O LYS A 73 3.038 6.808 19.446 1.00 0.00 O ATOM 1179 CB LYS A 73 4.446 8.818 21.683 1.00 0.00 C ATOM 1180 CG LYS A 73 4.685 9.349 23.109 1.00 0.00 C ATOM 1181 CD LYS A 73 3.742 8.907 24.240 1.00 0.00 C ATOM 1182 CE LYS A 73 2.247 8.881 23.911 1.00 0.00 C ATOM 1183 NZ LYS A 73 1.700 10.225 23.582 1.00 0.00 N ATOM 0 H LYS A 73 5.804 6.893 22.672 1.00 0.00 H new ATOM 0 HA LYS A 73 3.063 7.211 21.882 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.345 9.009 21.097 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.643 9.404 21.235 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.698 9.069 23.398 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.655 10.438 23.063 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.038 7.908 24.561 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.893 9.573 25.090 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.078 8.210 23.069 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.701 8.471 24.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.685 10.144 23.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.833 10.862 24.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.198 10.610 22.754 1.00 0.00 H new ATOM 1197 N VAL A 74 5.267 6.522 19.540 1.00 0.00 N ATOM 1198 CA VAL A 74 5.378 5.856 18.227 1.00 0.00 C ATOM 1199 C VAL A 74 4.673 4.492 18.245 1.00 0.00 C ATOM 1200 O VAL A 74 3.914 4.192 17.329 1.00 0.00 O ATOM 1201 CB VAL A 74 6.813 5.801 17.672 1.00 0.00 C ATOM 1202 CG1 VAL A 74 7.822 5.355 18.714 1.00 0.00 C ATOM 1203 CG2 VAL A 74 6.953 4.901 16.439 1.00 0.00 C ATOM 0 H VAL A 74 6.164 6.680 20.000 1.00 0.00 H new ATOM 0 HA VAL A 74 4.850 6.484 17.509 1.00 0.00 H new ATOM 0 HB VAL A 74 7.027 6.828 17.377 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.818 5.333 18.271 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.813 6.053 19.551 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.561 4.358 19.069 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.989 4.908 16.099 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.662 3.883 16.697 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.308 5.272 15.643 1.00 0.00 H new ATOM 1213 N LYS A 75 4.842 3.684 19.302 1.00 0.00 N ATOM 1214 CA LYS A 75 4.232 2.344 19.445 1.00 0.00 C ATOM 1215 C LYS A 75 2.710 2.327 19.428 1.00 0.00 C ATOM 1216 O LYS A 75 2.115 1.548 18.683 1.00 0.00 O ATOM 1217 CB LYS A 75 4.747 1.697 20.740 1.00 0.00 C ATOM 1218 CG LYS A 75 6.142 1.088 20.545 1.00 0.00 C ATOM 1219 CD LYS A 75 6.194 -0.072 19.538 1.00 0.00 C ATOM 1220 CE LYS A 75 5.129 -1.136 19.837 1.00 0.00 C ATOM 1221 NZ LYS A 75 5.376 -2.395 19.086 1.00 0.00 N ATOM 0 H LYS A 75 5.419 3.945 20.102 1.00 0.00 H new ATOM 0 HA LYS A 75 4.534 1.777 18.565 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.782 2.444 21.533 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.052 0.922 21.063 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.824 1.871 20.214 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.508 0.733 21.508 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.047 0.315 18.530 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.183 -0.531 19.563 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.118 -1.348 20.906 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.144 -0.747 19.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.635 -3.087 19.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.362 -2.199 18.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.305 -2.781 19.351 1.00 0.00 H new ATOM 1235 N GLN A 76 2.085 3.212 20.196 1.00 0.00 N ATOM 1236 CA GLN A 76 0.645 3.478 20.157 1.00 0.00 C ATOM 1237 C GLN A 76 0.145 3.742 18.737 1.00 0.00 C ATOM 1238 O GLN A 76 -0.881 3.204 18.307 1.00 0.00 O ATOM 1239 CB GLN A 76 0.401 4.690 21.071 1.00 0.00 C ATOM 1240 CG GLN A 76 -1.029 5.238 20.979 1.00 0.00 C ATOM 1241 CD GLN A 76 -1.356 6.214 22.112 1.00 0.00 C ATOM 1242 OE1 GLN A 76 -0.560 7.062 22.501 1.00 0.00 O ATOM 1243 NE2 GLN A 76 -2.537 6.141 22.689 1.00 0.00 N ATOM 0 H GLN A 76 2.577 3.782 20.884 1.00 0.00 H new ATOM 0 HA GLN A 76 0.089 2.606 20.501 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.609 4.407 22.103 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.104 5.481 20.810 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.161 5.741 20.021 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.735 4.408 21.003 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.213 5.443 22.380 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.776 6.783 23.445 1.00 0.00 H new ATOM 1252 N ALA A 77 0.894 4.548 17.991 1.00 0.00 N ATOM 1253 CA ALA A 77 0.505 4.869 16.629 1.00 0.00 C ATOM 1254 C ALA A 77 0.765 3.677 15.705 1.00 0.00 C ATOM 1255 O ALA A 77 -0.046 3.399 14.831 1.00 0.00 O ATOM 1256 CB ALA A 77 1.239 6.122 16.189 1.00 0.00 C ATOM 0 H ALA A 77 1.761 4.984 18.304 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.565 5.071 16.578 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.953 6.371 15.167 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.978 6.948 16.850 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.314 5.948 16.233 1.00 0.00 H new ATOM 1262 N LYS A 78 1.844 2.918 15.928 1.00 0.00 N ATOM 1263 CA LYS A 78 2.188 1.732 15.135 1.00 0.00 C ATOM 1264 C LYS A 78 1.135 0.629 15.238 1.00 0.00 C ATOM 1265 O LYS A 78 0.861 -0.036 14.246 1.00 0.00 O ATOM 1266 CB LYS A 78 3.591 1.219 15.496 1.00 0.00 C ATOM 1267 CG LYS A 78 4.258 0.530 14.290 1.00 0.00 C ATOM 1268 CD LYS A 78 4.703 -0.917 14.538 1.00 0.00 C ATOM 1269 CE LYS A 78 3.497 -1.867 14.574 1.00 0.00 C ATOM 1270 NZ LYS A 78 3.911 -3.293 14.528 1.00 0.00 N ATOM 0 H LYS A 78 2.512 3.113 16.674 1.00 0.00 H new ATOM 0 HA LYS A 78 2.201 2.039 14.089 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.210 2.051 15.832 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.522 0.517 16.327 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.561 0.542 13.452 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.127 1.116 13.990 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.392 -1.229 13.753 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.246 -0.977 15.481 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.920 -1.686 15.481 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.841 -1.652 13.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.109 -3.877 14.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.700 -3.404 13.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.214 -3.597 15.475 1.00 0.00 H new ATOM 1284 N ALA A 79 0.501 0.459 16.398 1.00 0.00 N ATOM 1285 CA ALA A 79 -0.686 -0.389 16.538 1.00 0.00 C ATOM 1286 C ALA A 79 -1.843 0.065 15.620 1.00 0.00 C ATOM 1287 O ALA A 79 -2.542 -0.761 15.026 1.00 0.00 O ATOM 1288 CB ALA A 79 -1.101 -0.416 18.014 1.00 0.00 C ATOM 0 H ALA A 79 0.794 0.904 17.268 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.438 -1.400 16.215 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.984 -1.044 18.132 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.285 -0.820 18.614 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.329 0.597 18.346 1.00 0.00 H new ATOM 1294 N GLU A 80 -2.018 1.380 15.451 1.00 0.00 N ATOM 1295 CA GLU A 80 -3.000 1.929 14.503 1.00 0.00 C ATOM 1296 C GLU A 80 -2.594 1.671 13.049 1.00 0.00 C ATOM 1297 O GLU A 80 -3.381 1.130 12.267 1.00 0.00 O ATOM 1298 CB GLU A 80 -3.208 3.431 14.738 1.00 0.00 C ATOM 1299 CG GLU A 80 -4.517 3.897 14.096 1.00 0.00 C ATOM 1300 CD GLU A 80 -4.917 5.300 14.590 1.00 0.00 C ATOM 1301 OE1 GLU A 80 -4.485 6.310 13.981 1.00 0.00 O ATOM 1302 OE2 GLU A 80 -5.675 5.405 15.585 1.00 0.00 O ATOM 0 H GLU A 80 -1.490 2.089 15.960 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.943 1.412 14.683 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.227 3.639 15.808 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.371 3.990 14.319 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.408 3.909 13.012 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.311 3.188 14.329 1.00 0.00 H new ATOM 1309 N VAL A 81 -1.353 2.017 12.684 1.00 0.00 N ATOM 1310 CA VAL A 81 -0.846 1.795 11.322 1.00 0.00 C ATOM 1311 C VAL A 81 -0.854 0.313 10.933 1.00 0.00 C ATOM 1312 O VAL A 81 -1.069 -0.021 9.773 1.00 0.00 O ATOM 1313 CB VAL A 81 0.519 2.455 11.039 1.00 0.00 C ATOM 1314 CG1 VAL A 81 0.778 3.789 11.742 1.00 0.00 C ATOM 1315 CG2 VAL A 81 1.745 1.552 11.221 1.00 0.00 C ATOM 0 H VAL A 81 -0.679 2.453 13.314 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.555 2.310 10.674 1.00 0.00 H new ATOM 0 HB VAL A 81 0.402 2.657 9.974 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.767 4.158 11.469 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.023 4.514 11.437 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.729 3.647 12.822 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.650 2.117 10.996 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.786 1.197 12.251 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.672 0.700 10.546 1.00 0.00 H new ATOM 1325 N GLU A 82 -0.679 -0.591 11.898 1.00 0.00 N ATOM 1326 CA GLU A 82 -0.786 -2.042 11.701 1.00 0.00 C ATOM 1327 C GLU A 82 -2.217 -2.472 11.341 1.00 0.00 C ATOM 1328 O GLU A 82 -2.392 -3.369 10.514 1.00 0.00 O ATOM 1329 CB GLU A 82 -0.275 -2.772 12.955 1.00 0.00 C ATOM 1330 CG GLU A 82 -0.209 -4.295 12.787 1.00 0.00 C ATOM 1331 CD GLU A 82 0.410 -4.959 14.031 1.00 0.00 C ATOM 1332 OE1 GLU A 82 1.647 -4.852 14.218 1.00 0.00 O ATOM 1333 OE2 GLU A 82 -0.328 -5.591 14.826 1.00 0.00 O ATOM 0 H GLU A 82 -0.454 -0.332 12.859 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.161 -2.320 10.852 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.718 -2.398 13.205 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.927 -2.534 13.796 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.211 -4.690 12.620 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.383 -4.542 11.906 1.00 0.00 H new ATOM 1340 N SER A 83 -3.247 -1.812 11.890 1.00 0.00 N ATOM 1341 CA SER A 83 -4.642 -2.101 11.529 1.00 0.00 C ATOM 1342 C SER A 83 -4.910 -1.647 10.093 1.00 0.00 C ATOM 1343 O SER A 83 -5.561 -2.349 9.320 1.00 0.00 O ATOM 1344 CB SER A 83 -5.615 -1.414 12.497 1.00 0.00 C ATOM 1345 OG SER A 83 -5.425 -1.882 13.825 1.00 0.00 O ATOM 0 H SER A 83 -3.140 -1.074 12.586 1.00 0.00 H new ATOM 0 HA SER A 83 -4.802 -3.177 11.600 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.467 -0.335 12.463 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.641 -1.605 12.183 1.00 0.00 H new ATOM 0 HG SER A 83 -4.564 -1.561 14.165 1.00 0.00 H new ATOM 1351 N LYS A 84 -4.348 -0.493 9.715 1.00 0.00 N ATOM 1352 CA LYS A 84 -4.421 0.092 8.369 1.00 0.00 C ATOM 1353 C LYS A 84 -3.663 -0.735 7.327 1.00 0.00 C ATOM 1354 O LYS A 84 -4.165 -0.936 6.221 1.00 0.00 O ATOM 1355 CB LYS A 84 -3.929 1.548 8.425 1.00 0.00 C ATOM 1356 CG LYS A 84 -5.067 2.514 8.779 1.00 0.00 C ATOM 1357 CD LYS A 84 -5.712 2.370 10.168 1.00 0.00 C ATOM 1358 CE LYS A 84 -7.073 3.071 10.212 1.00 0.00 C ATOM 1359 NZ LYS A 84 -8.122 2.305 9.478 1.00 0.00 N ATOM 0 H LYS A 84 -3.809 0.082 10.362 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.461 0.082 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.133 1.636 9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.501 1.826 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.686 3.531 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.851 2.400 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.834 1.314 10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.054 2.796 10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.380 3.202 11.250 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.982 4.067 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.887 2.949 9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.704 1.868 8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.507 1.563 10.097 1.00 0.00 H new ATOM 1373 N LYS A 85 -2.498 -1.279 7.691 1.00 0.00 N ATOM 1374 CA LYS A 85 -1.744 -2.246 6.880 1.00 0.00 C ATOM 1375 C LYS A 85 -2.537 -3.532 6.659 1.00 0.00 C ATOM 1376 O LYS A 85 -2.634 -3.995 5.526 1.00 0.00 O ATOM 1377 CB LYS A 85 -0.377 -2.525 7.525 1.00 0.00 C ATOM 1378 CG LYS A 85 0.469 -3.429 6.613 1.00 0.00 C ATOM 1379 CD LYS A 85 1.949 -3.493 7.015 1.00 0.00 C ATOM 1380 CE LYS A 85 2.147 -4.154 8.386 1.00 0.00 C ATOM 1381 NZ LYS A 85 3.590 -4.314 8.710 1.00 0.00 N ATOM 0 H LYS A 85 -2.041 -1.056 8.575 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.574 -1.810 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.147 -1.586 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.516 -3.003 8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.053 -4.436 6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.395 -3.068 5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.505 -4.050 6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.362 -2.485 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.665 -3.551 9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.661 -5.129 8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.689 -4.764 9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.044 -4.910 7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.048 -3.380 8.726 1.00 0.00 H new ATOM 1395 N ALA A 86 -3.141 -4.085 7.710 1.00 0.00 N ATOM 1396 CA ALA A 86 -4.004 -5.260 7.602 1.00 0.00 C ATOM 1397 C ALA A 86 -5.233 -4.999 6.711 1.00 0.00 C ATOM 1398 O ALA A 86 -5.649 -5.880 5.962 1.00 0.00 O ATOM 1399 CB ALA A 86 -4.396 -5.730 9.007 1.00 0.00 C ATOM 0 H ALA A 86 -3.045 -3.730 8.662 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.449 -6.058 7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.040 -6.606 8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.498 -5.987 9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.930 -4.931 9.522 1.00 0.00 H new ATOM 1405 N GLU A 87 -5.771 -3.778 6.742 1.00 0.00 N ATOM 1406 CA GLU A 87 -6.807 -3.290 5.825 1.00 0.00 C ATOM 1407 C GLU A 87 -6.309 -3.301 4.364 1.00 0.00 C ATOM 1408 O GLU A 87 -6.835 -4.068 3.567 1.00 0.00 O ATOM 1409 CB GLU A 87 -7.356 -1.948 6.363 1.00 0.00 C ATOM 1410 CG GLU A 87 -7.631 -0.820 5.364 1.00 0.00 C ATOM 1411 CD GLU A 87 -8.397 0.336 6.047 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -7.872 0.952 7.009 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -9.547 0.628 5.637 1.00 0.00 O ATOM 0 H GLU A 87 -5.489 -3.078 7.428 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.665 -3.962 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.286 -2.158 6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.648 -1.572 7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.690 -0.450 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.212 -1.203 4.525 1.00 0.00 H new ATOM 1420 N ALA A 88 -5.236 -2.578 4.026 1.00 0.00 N ATOM 1421 CA ALA A 88 -4.530 -2.614 2.733 1.00 0.00 C ATOM 1422 C ALA A 88 -4.310 -4.045 2.216 1.00 0.00 C ATOM 1423 O ALA A 88 -4.631 -4.387 1.079 1.00 0.00 O ATOM 1424 CB ALA A 88 -3.178 -1.894 2.888 1.00 0.00 C ATOM 0 H ALA A 88 -4.812 -1.917 4.677 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.154 -2.109 1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.644 -1.913 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.349 -0.860 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.582 -2.398 3.649 1.00 0.00 H new ATOM 1430 N THR A 89 -3.781 -4.898 3.086 1.00 0.00 N ATOM 1431 CA THR A 89 -3.463 -6.300 2.796 1.00 0.00 C ATOM 1432 C THR A 89 -4.715 -7.194 2.674 1.00 0.00 C ATOM 1433 O THR A 89 -4.674 -8.217 1.991 1.00 0.00 O ATOM 1434 CB THR A 89 -2.430 -6.787 3.822 1.00 0.00 C ATOM 1435 OG1 THR A 89 -1.270 -5.973 3.693 1.00 0.00 O ATOM 1436 CG2 THR A 89 -1.974 -8.232 3.619 1.00 0.00 C ATOM 0 H THR A 89 -3.553 -4.629 4.043 1.00 0.00 H new ATOM 0 HA THR A 89 -3.016 -6.375 1.805 1.00 0.00 H new ATOM 0 HB THR A 89 -2.912 -6.726 4.798 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.385 -5.154 4.219 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.245 -8.495 4.386 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.834 -8.898 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.518 -8.335 2.634 1.00 0.00 H new ATOM 1444 N ARG A 90 -5.873 -6.795 3.224 1.00 0.00 N ATOM 1445 CA ARG A 90 -7.186 -7.400 2.920 1.00 0.00 C ATOM 1446 C ARG A 90 -7.668 -7.065 1.504 1.00 0.00 C ATOM 1447 O ARG A 90 -8.235 -7.946 0.862 1.00 0.00 O ATOM 1448 CB ARG A 90 -8.224 -7.013 3.997 1.00 0.00 C ATOM 1449 CG ARG A 90 -9.633 -7.601 3.804 1.00 0.00 C ATOM 1450 CD ARG A 90 -9.662 -9.135 3.797 1.00 0.00 C ATOM 1451 NE ARG A 90 -11.039 -9.650 3.654 1.00 0.00 N ATOM 1452 CZ ARG A 90 -11.919 -9.876 4.615 1.00 0.00 C ATOM 1453 NH1 ARG A 90 -11.656 -9.649 5.872 1.00 0.00 N ATOM 1454 NH2 ARG A 90 -13.101 -10.340 4.327 1.00 0.00 N ATOM 0 H ARG A 90 -5.928 -6.034 3.901 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.066 -8.483 2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.847 -7.330 4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.304 -5.926 4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.282 -7.237 4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.045 -7.234 2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.046 -9.508 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.226 -9.512 4.722 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.347 -9.855 2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.743 -9.284 6.144 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.363 -9.837 6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.352 -10.531 3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.776 -10.513 5.072 1.00 0.00 H new ATOM 1468 N LEU A 91 -7.401 -5.868 0.963 1.00 0.00 N ATOM 1469 CA LEU A 91 -7.690 -5.580 -0.455 1.00 0.00 C ATOM 1470 C LEU A 91 -6.845 -6.499 -1.352 1.00 0.00 C ATOM 1471 O LEU A 91 -7.307 -6.934 -2.403 1.00 0.00 O ATOM 1472 CB LEU A 91 -7.420 -4.119 -0.864 1.00 0.00 C ATOM 1473 CG LEU A 91 -8.224 -2.948 -0.293 1.00 0.00 C ATOM 1474 CD1 LEU A 91 -9.709 -3.032 -0.561 1.00 0.00 C ATOM 1475 CD2 LEU A 91 -8.074 -2.803 1.202 1.00 0.00 C ATOM 0 H LEU A 91 -6.990 -5.089 1.477 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.757 -5.760 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.373 -3.919 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.526 -4.073 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.800 -2.090 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.207 -2.166 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.884 -3.047 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.108 -3.943 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.667 -1.956 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.421 -3.713 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.025 -2.635 1.448 1.00 0.00 H new ATOM 1487 N GLU A 92 -5.625 -6.838 -0.919 1.00 0.00 N ATOM 1488 CA GLU A 92 -4.773 -7.847 -1.568 1.00 0.00 C ATOM 1489 C GLU A 92 -5.481 -9.205 -1.730 1.00 0.00 C ATOM 1490 O GLU A 92 -5.398 -9.830 -2.789 1.00 0.00 O ATOM 1491 CB GLU A 92 -3.438 -7.997 -0.819 1.00 0.00 C ATOM 1492 CG GLU A 92 -2.255 -7.881 -1.777 1.00 0.00 C ATOM 1493 CD GLU A 92 -0.924 -8.200 -1.069 1.00 0.00 C ATOM 1494 OE1 GLU A 92 -0.567 -9.398 -0.953 1.00 0.00 O ATOM 1495 OE2 GLU A 92 -0.216 -7.257 -0.641 1.00 0.00 O ATOM 0 H GLU A 92 -5.194 -6.415 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.564 -7.487 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.362 -7.231 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.407 -8.962 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.396 -8.563 -2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.217 -6.873 -2.190 1.00 0.00 H new ATOM 1502 N LYS A 93 -6.241 -9.646 -0.719 1.00 0.00 N ATOM 1503 CA LYS A 93 -7.104 -10.827 -0.815 1.00 0.00 C ATOM 1504 C LYS A 93 -8.259 -10.622 -1.800 1.00 0.00 C ATOM 1505 O LYS A 93 -8.516 -11.510 -2.610 1.00 0.00 O ATOM 1506 CB LYS A 93 -7.607 -11.240 0.578 1.00 0.00 C ATOM 1507 CG LYS A 93 -6.454 -11.549 1.548 1.00 0.00 C ATOM 1508 CD LYS A 93 -6.963 -12.164 2.859 1.00 0.00 C ATOM 1509 CE LYS A 93 -5.778 -12.458 3.788 1.00 0.00 C ATOM 1510 NZ LYS A 93 -6.219 -13.098 5.056 1.00 0.00 N ATOM 0 H LYS A 93 -6.273 -9.190 0.193 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.504 -11.644 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.222 -10.441 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.246 -12.118 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.753 -12.235 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.906 -10.632 1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.658 -11.481 3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.511 -13.083 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.069 -13.111 3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.252 -11.530 4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.391 -13.282 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.876 -12.464 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.698 -13.996 4.843 1.00 0.00 H new ATOM 1524 N ILE A 94 -8.942 -9.471 -1.791 1.00 0.00 N ATOM 1525 CA ILE A 94 -10.105 -9.245 -2.678 1.00 0.00 C ATOM 1526 C ILE A 94 -9.757 -9.007 -4.155 1.00 0.00 C ATOM 1527 O ILE A 94 -10.542 -9.416 -5.015 1.00 0.00 O ATOM 1528 CB ILE A 94 -11.146 -8.252 -2.119 1.00 0.00 C ATOM 1529 CG1 ILE A 94 -10.848 -6.813 -2.568 1.00 0.00 C ATOM 1530 CG2 ILE A 94 -11.350 -8.422 -0.603 1.00 0.00 C ATOM 1531 CD1 ILE A 94 -11.692 -5.743 -1.888 1.00 0.00 C ATOM 0 H ILE A 94 -8.716 -8.682 -1.185 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.610 -10.211 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.116 -8.493 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.796 -6.599 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.000 -6.745 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -12.091 -7.703 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.699 -9.433 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.405 -8.250 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.411 -4.761 -2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -12.746 -5.924 -2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.524 -5.777 -0.812 1.00 0.00 H new ATOM 1543 N LYS A 95 -8.587 -8.432 -4.485 1.00 0.00 N ATOM 1544 CA LYS A 95 -8.056 -8.532 -5.868 1.00 0.00 C ATOM 1545 C LYS A 95 -7.798 -9.978 -6.291 1.00 0.00 C ATOM 1546 O LYS A 95 -8.029 -10.330 -7.444 1.00 0.00 O ATOM 1547 CB LYS A 95 -6.802 -7.674 -6.126 1.00 0.00 C ATOM 1548 CG LYS A 95 -5.526 -8.077 -5.369 1.00 0.00 C ATOM 1549 CD LYS A 95 -4.236 -7.509 -5.974 1.00 0.00 C ATOM 1550 CE LYS A 95 -3.824 -8.301 -7.226 1.00 0.00 C ATOM 1551 NZ LYS A 95 -2.548 -7.808 -7.805 1.00 0.00 N ATOM 0 H LYS A 95 -8.000 -7.906 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.852 -8.122 -6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -6.587 -7.698 -7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.038 -6.641 -5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.608 -7.742 -4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.457 -9.165 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.382 -6.460 -6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.436 -7.546 -5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.722 -9.356 -6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.613 -8.230 -7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.212 -8.478 -8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.702 -6.877 -8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.835 -7.724 -7.053 1.00 0.00 H new ATOM 1565 N THR A 96 -7.332 -10.813 -5.363 1.00 0.00 N ATOM 1566 CA THR A 96 -6.978 -12.220 -5.641 1.00 0.00 C ATOM 1567 C THR A 96 -8.236 -13.054 -5.866 1.00 0.00 C ATOM 1568 O THR A 96 -8.297 -13.850 -6.802 1.00 0.00 O ATOM 1569 CB THR A 96 -6.106 -12.829 -4.530 1.00 0.00 C ATOM 1570 OG1 THR A 96 -4.938 -12.054 -4.376 1.00 0.00 O ATOM 1571 CG2 THR A 96 -5.635 -14.247 -4.859 1.00 0.00 C ATOM 0 H THR A 96 -7.186 -10.540 -4.391 1.00 0.00 H new ATOM 0 HA THR A 96 -6.383 -12.232 -6.554 1.00 0.00 H new ATOM 0 HB THR A 96 -6.723 -12.849 -3.632 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.145 -11.251 -3.853 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.024 -14.627 -4.040 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.501 -14.895 -4.997 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.045 -14.231 -5.775 1.00 0.00 H new ATOM 1579 N ASP A 97 -9.274 -12.814 -5.063 1.00 0.00 N ATOM 1580 CA ASP A 97 -10.604 -13.406 -5.235 1.00 0.00 C ATOM 1581 C ASP A 97 -11.201 -13.056 -6.610 1.00 0.00 C ATOM 1582 O ASP A 97 -11.655 -13.944 -7.334 1.00 0.00 O ATOM 1583 CB ASP A 97 -11.515 -12.940 -4.092 1.00 0.00 C ATOM 1584 CG ASP A 97 -12.904 -13.594 -4.171 1.00 0.00 C ATOM 1585 OD1 ASP A 97 -13.029 -14.792 -3.821 1.00 0.00 O ATOM 1586 OD2 ASP A 97 -13.875 -12.906 -4.566 1.00 0.00 O ATOM 0 H ASP A 97 -9.214 -12.190 -4.258 1.00 0.00 H new ATOM 0 HA ASP A 97 -10.518 -14.492 -5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -11.052 -13.183 -3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.620 -11.856 -4.129 1.00 0.00 H new ATOM 1591 N ARG A 98 -11.130 -11.774 -7.006 1.00 0.00 N ATOM 1592 CA ARG A 98 -11.564 -11.310 -8.339 1.00 0.00 C ATOM 1593 C ARG A 98 -10.754 -11.943 -9.472 1.00 0.00 C ATOM 1594 O ARG A 98 -11.341 -12.514 -10.389 1.00 0.00 O ATOM 1595 CB ARG A 98 -11.531 -9.776 -8.401 1.00 0.00 C ATOM 1596 CG ARG A 98 -12.750 -9.203 -7.666 1.00 0.00 C ATOM 1597 CD ARG A 98 -12.623 -7.689 -7.475 1.00 0.00 C ATOM 1598 NE ARG A 98 -13.848 -7.110 -6.888 1.00 0.00 N ATOM 1599 CZ ARG A 98 -14.277 -7.232 -5.644 1.00 0.00 C ATOM 1600 NH1 ARG A 98 -13.633 -7.932 -4.752 1.00 0.00 N ATOM 1601 NH2 ARG A 98 -15.377 -6.647 -5.268 1.00 0.00 N ATOM 0 H ARG A 98 -10.770 -11.027 -6.412 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.592 -11.640 -8.487 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.612 -9.404 -7.947 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.531 -9.444 -9.439 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -13.656 -9.426 -8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.852 -9.687 -6.695 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.772 -7.473 -6.829 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.421 -7.216 -8.436 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.429 -6.552 -7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.767 -8.408 -5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.995 -8.003 -3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.913 -6.091 -5.935 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.704 -6.744 -4.307 1.00 0.00 H new ATOM 1615 N LYS A 99 -9.419 -11.922 -9.383 1.00 0.00 N ATOM 1616 CA LYS A 99 -8.505 -12.590 -10.327 1.00 0.00 C ATOM 1617 C LYS A 99 -8.850 -14.073 -10.514 1.00 0.00 C ATOM 1618 O LYS A 99 -8.907 -14.544 -11.649 1.00 0.00 O ATOM 1619 CB LYS A 99 -7.047 -12.336 -9.889 1.00 0.00 C ATOM 1620 CG LYS A 99 -6.000 -13.091 -10.729 1.00 0.00 C ATOM 1621 CD LYS A 99 -5.602 -14.448 -10.113 1.00 0.00 C ATOM 1622 CE LYS A 99 -5.434 -15.553 -11.163 1.00 0.00 C ATOM 1623 NZ LYS A 99 -4.289 -15.320 -12.081 1.00 0.00 N ATOM 0 H LYS A 99 -8.929 -11.429 -8.636 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.628 -12.158 -11.320 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.842 -11.267 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.937 -12.625 -8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.395 -13.255 -11.732 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.110 -12.471 -10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.668 -14.332 -9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.361 -14.751 -9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.297 -16.508 -10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.350 -15.631 -11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.229 -16.100 -12.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.428 -14.423 -12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.407 -15.273 -11.531 1.00 0.00 H new ATOM 1637 N LYS A 100 -9.113 -14.811 -9.429 1.00 0.00 N ATOM 1638 CA LYS A 100 -9.510 -16.228 -9.487 1.00 0.00 C ATOM 1639 C LYS A 100 -10.874 -16.429 -10.157 1.00 0.00 C ATOM 1640 O LYS A 100 -10.989 -17.276 -11.041 1.00 0.00 O ATOM 1641 CB LYS A 100 -9.443 -16.843 -8.074 1.00 0.00 C ATOM 1642 CG LYS A 100 -9.634 -18.373 -8.007 1.00 0.00 C ATOM 1643 CD LYS A 100 -8.379 -19.219 -8.300 1.00 0.00 C ATOM 1644 CE LYS A 100 -7.865 -19.089 -9.739 1.00 0.00 C ATOM 1645 NZ LYS A 100 -6.720 -19.995 -10.013 1.00 0.00 N ATOM 0 H LYS A 100 -9.057 -14.442 -8.480 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.802 -16.759 -10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.477 -16.595 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.206 -16.371 -7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.999 -18.631 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.413 -18.654 -8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.586 -18.924 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.603 -20.266 -8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.675 -19.311 -10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.562 -18.058 -9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.407 -19.871 -10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.935 -19.767 -9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.015 -20.981 -9.865 1.00 0.00 H new ATOM 1812 N GLU A 111 0.258 -25.312 -16.487 1.00 0.00 N ATOM 1813 CA GLU A 111 1.063 -24.435 -15.629 1.00 0.00 C ATOM 1814 C GLU A 111 0.739 -24.557 -14.136 1.00 0.00 C ATOM 1815 O GLU A 111 1.420 -23.947 -13.317 1.00 0.00 O ATOM 1816 CB GLU A 111 0.890 -22.972 -16.042 1.00 0.00 C ATOM 1817 CG GLU A 111 1.392 -22.637 -17.445 1.00 0.00 C ATOM 1818 CD GLU A 111 2.928 -22.673 -17.568 1.00 0.00 C ATOM 1819 OE1 GLU A 111 3.518 -23.776 -17.663 1.00 0.00 O ATOM 1820 OE2 GLU A 111 3.563 -21.591 -17.581 1.00 0.00 O ATOM 0 HA GLU A 111 2.093 -24.764 -15.770 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -0.167 -22.714 -15.979 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.415 -22.342 -15.324 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.961 -23.342 -18.156 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.035 -21.645 -17.724 1.00 0.00 H new ATOM 1827 N GLU A 112 -0.237 -25.382 -13.750 1.00 0.00 N ATOM 1828 CA GLU A 112 -0.418 -25.838 -12.366 1.00 0.00 C ATOM 1829 C GLU A 112 0.899 -26.369 -11.766 1.00 0.00 C ATOM 1830 O GLU A 112 1.190 -26.158 -10.589 1.00 0.00 O ATOM 1831 CB GLU A 112 -1.526 -26.901 -12.348 1.00 0.00 C ATOM 1832 CG GLU A 112 -1.974 -27.278 -10.930 1.00 0.00 C ATOM 1833 CD GLU A 112 -3.119 -28.308 -10.960 1.00 0.00 C ATOM 1834 OE1 GLU A 112 -4.141 -28.069 -11.649 1.00 0.00 O ATOM 1835 OE2 GLU A 112 -3.008 -29.368 -10.296 1.00 0.00 O ATOM 0 H GLU A 112 -0.932 -25.757 -14.395 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.714 -24.997 -11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -2.385 -26.532 -12.908 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.172 -27.795 -12.861 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -1.129 -27.687 -10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.300 -26.383 -10.400 1.00 0.00 H new ATOM 1842 N ASP A 113 1.736 -26.994 -12.602 1.00 0.00 N ATOM 1843 CA ASP A 113 3.073 -27.477 -12.251 1.00 0.00 C ATOM 1844 C ASP A 113 4.096 -26.364 -11.944 1.00 0.00 C ATOM 1845 O ASP A 113 5.119 -26.627 -11.310 1.00 0.00 O ATOM 1846 CB ASP A 113 3.577 -28.387 -13.376 1.00 0.00 C ATOM 1847 CG ASP A 113 4.568 -29.437 -12.845 1.00 0.00 C ATOM 1848 OD1 ASP A 113 4.209 -30.167 -11.887 1.00 0.00 O ATOM 1849 OD2 ASP A 113 5.688 -29.555 -13.399 1.00 0.00 O ATOM 0 H ASP A 113 1.491 -27.183 -13.574 1.00 0.00 H new ATOM 0 HA ASP A 113 2.978 -28.029 -11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 113 2.732 -28.888 -13.848 1.00 0.00 H new ATOM 0 HB3 ASP A 113 4.060 -27.784 -14.145 1.00 0.00 H new ATOM 1854 N LYS A 114 3.823 -25.121 -12.369 1.00 0.00 N ATOM 1855 CA LYS A 114 4.577 -23.911 -12.030 1.00 0.00 C ATOM 1856 C LYS A 114 3.930 -23.198 -10.844 1.00 0.00 C ATOM 1857 O LYS A 114 4.593 -22.931 -9.846 1.00 0.00 O ATOM 1858 CB LYS A 114 4.662 -22.989 -13.263 1.00 0.00 C ATOM 1859 CG LYS A 114 4.914 -23.687 -14.611 1.00 0.00 C ATOM 1860 CD LYS A 114 6.171 -24.567 -14.680 1.00 0.00 C ATOM 1861 CE LYS A 114 6.102 -25.544 -15.864 1.00 0.00 C ATOM 1862 NZ LYS A 114 6.032 -24.853 -17.178 1.00 0.00 N ATOM 0 H LYS A 114 3.034 -24.926 -12.986 1.00 0.00 H new ATOM 0 HA LYS A 114 5.591 -24.185 -11.738 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.731 -22.426 -13.336 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.460 -22.265 -13.096 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.047 -24.304 -14.847 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.983 -22.925 -15.387 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.055 -23.936 -14.777 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.278 -25.126 -13.750 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.978 -26.192 -15.846 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.228 -26.186 -15.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.356 -25.498 -17.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.050 -24.567 -17.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.641 -24.010 -17.160 1.00 0.00 H new ATOM 1876 N VAL A 115 2.619 -22.953 -10.926 1.00 0.00 N ATOM 1877 CA VAL A 115 1.796 -22.311 -9.881 1.00 0.00 C ATOM 1878 C VAL A 115 1.964 -22.954 -8.497 1.00 0.00 C ATOM 1879 O VAL A 115 2.031 -22.230 -7.503 1.00 0.00 O ATOM 1880 CB VAL A 115 0.313 -22.249 -10.310 1.00 0.00 C ATOM 1881 CG1 VAL A 115 -0.621 -21.719 -9.214 1.00 0.00 C ATOM 1882 CG2 VAL A 115 0.139 -21.326 -11.525 1.00 0.00 C ATOM 0 H VAL A 115 2.075 -23.204 -11.752 1.00 0.00 H new ATOM 0 HA VAL A 115 2.164 -21.290 -9.776 1.00 0.00 H new ATOM 0 HB VAL A 115 0.042 -23.280 -10.538 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.646 -21.703 -9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -0.562 -22.368 -8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.320 -20.709 -8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.912 -21.296 -11.811 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.474 -20.321 -11.269 1.00 0.00 H new ATOM 0 HG23 VAL A 115 0.731 -21.705 -12.358 1.00 0.00 H new ATOM 1892 N LYS A 116 2.114 -24.282 -8.407 1.00 0.00 N ATOM 1893 CA LYS A 116 2.386 -24.994 -7.142 1.00 0.00 C ATOM 1894 C LYS A 116 3.642 -24.515 -6.390 1.00 0.00 C ATOM 1895 O LYS A 116 3.667 -24.582 -5.161 1.00 0.00 O ATOM 1896 CB LYS A 116 2.396 -26.514 -7.385 1.00 0.00 C ATOM 1897 CG LYS A 116 3.555 -26.990 -8.277 1.00 0.00 C ATOM 1898 CD LYS A 116 3.634 -28.512 -8.470 1.00 0.00 C ATOM 1899 CE LYS A 116 2.333 -29.131 -8.999 1.00 0.00 C ATOM 1900 NZ LYS A 116 2.580 -30.468 -9.602 1.00 0.00 N ATOM 0 H LYS A 116 2.050 -24.902 -9.215 1.00 0.00 H new ATOM 0 HA LYS A 116 1.568 -24.745 -6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 116 2.454 -27.026 -6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.452 -26.806 -7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 116 3.460 -26.518 -9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 116 4.494 -26.643 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 116 4.444 -28.741 -9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 116 3.888 -28.978 -7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.614 -29.223 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.889 -28.470 -9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 1.672 -30.913 -9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.152 -30.360 -10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.089 -31.067 -8.921 1.00 0.00 H new ATOM 1914 N GLU A 117 4.647 -23.991 -7.098 1.00 0.00 N ATOM 1915 CA GLU A 117 5.883 -23.414 -6.534 1.00 0.00 C ATOM 1916 C GLU A 117 5.779 -21.903 -6.217 1.00 0.00 C ATOM 1917 O GLU A 117 6.687 -21.343 -5.599 1.00 0.00 O ATOM 1918 CB GLU A 117 7.059 -23.645 -7.504 1.00 0.00 C ATOM 1919 CG GLU A 117 7.366 -25.118 -7.813 1.00 0.00 C ATOM 1920 CD GLU A 117 7.786 -25.902 -6.554 1.00 0.00 C ATOM 1921 OE1 GLU A 117 8.952 -25.763 -6.109 1.00 0.00 O ATOM 1922 OE2 GLU A 117 6.960 -26.668 -6.001 1.00 0.00 O ATOM 0 H GLU A 117 4.627 -23.953 -8.117 1.00 0.00 H new ATOM 0 HA GLU A 117 6.050 -23.926 -5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.844 -23.130 -8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.953 -23.184 -7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 117 6.486 -25.586 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.162 -25.173 -8.556 1.00 0.00 H new ATOM 1929 N LYS A 118 4.683 -21.243 -6.626 1.00 0.00 N ATOM 1930 CA LYS A 118 4.420 -19.792 -6.512 1.00 0.00 C ATOM 1931 C LYS A 118 5.607 -18.900 -6.967 1.00 0.00 C ATOM 1932 O LYS A 118 6.130 -18.121 -6.159 1.00 0.00 O ATOM 1933 CB LYS A 118 3.887 -19.423 -5.106 1.00 0.00 C ATOM 1934 CG LYS A 118 2.600 -20.158 -4.683 1.00 0.00 C ATOM 1935 CD LYS A 118 2.880 -21.451 -3.902 1.00 0.00 C ATOM 1936 CE LYS A 118 1.600 -22.274 -3.730 1.00 0.00 C ATOM 1937 NZ LYS A 118 1.895 -23.589 -3.103 1.00 0.00 N ATOM 0 H LYS A 118 3.908 -21.734 -7.072 1.00 0.00 H new ATOM 0 HA LYS A 118 3.627 -19.569 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.665 -19.633 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.701 -18.349 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 118 1.993 -19.493 -4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 118 2.014 -20.395 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 118 3.630 -22.043 -4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 118 3.294 -21.207 -2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 118 0.889 -21.724 -3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 118 1.128 -22.427 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 1.012 -24.129 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 2.555 -24.120 -3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 2.324 -23.439 -2.167 1.00 0.00 H new