USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=26 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 83 SER OG : rot 170:sc= 0.00192 USER MOD Set 1.2: A 84 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.07) USER MOD Set 2.1: A 36 THR OG1 : rot 49:sc= 1.17 USER MOD Set 2.2: A 38 THR OG1 : rot 180:sc= 0.0242 USER MOD Set 3.1: A 33 ASN : amide:sc= 0.143 X(o=0.14,f=-0.23) USER MOD Set 3.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 150:sc= 1.32 (180deg=0.925) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 1.21 (180deg=1.07) USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= 0.994 (180deg=0.666) USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.14) USER MOD Single : A 26 GLN : amide:sc= 1.62 K(o=1.6,f=-0.032) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 1.2 (180deg=1.05) USER MOD Single : A 37 ASN : amide:sc= 0.649 K(o=0.65,f=-0.16) USER MOD Single : A 39 TYR OH : rot 166:sc= 0.183 USER MOD Single : A 40 LYS NZ :NH3+ -124:sc= 0.0819 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 170:sc=-0.00883 USER MOD Single : A 49 SER OG : rot 82:sc= 0.88 USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= 1.2 (180deg=0.783) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.1) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.23) USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= 0.937 (180deg=0.549) USER MOD Single : A 70 ASN : amide:sc= 1.02 K(o=1,f=-0.86) 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=-0.18) USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= 0.809 (180deg=0.745) USER MOD Single : A 85 LYS NZ :NH3+ -157:sc= 1.3 (180deg=1.2) USER MOD Single : A 89 THR OG1 : rot 85:sc= 0.229 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.13) USER MOD Single : A 96 THR OG1 : rot 67:sc= 0.0377 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+ -164:sc= 1.24 (180deg=1.14) USER MOD Single : A 116 LYS NZ :NH3+ -177:sc= 1.3 (180deg=1.29) USER MOD Single : A 118 LYS NZ :NH3+ 152:sc= 1.18 (180deg=0.651) USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 5 13.581 17.122 15.683 1.00 0.00 N ATOM 56 CA PRO A 5 12.835 16.028 15.046 1.00 0.00 C ATOM 57 C PRO A 5 12.707 16.184 13.529 1.00 0.00 C ATOM 58 O PRO A 5 12.546 15.194 12.825 1.00 0.00 O ATOM 59 CB PRO A 5 11.465 16.006 15.729 1.00 0.00 C ATOM 60 CG PRO A 5 11.375 17.394 16.367 1.00 0.00 C ATOM 61 CD PRO A 5 12.822 17.620 16.800 1.00 0.00 C ATOM 0 HA PRO A 5 13.368 15.086 15.172 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.660 15.838 15.013 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.399 15.214 16.475 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.035 18.150 15.659 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.686 17.414 17.211 1.00 0.00 H new ATOM 0 HD2 PRO A 5 13.026 18.674 16.988 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.056 17.082 17.718 1.00 0.00 H new ATOM 69 N GLU A 6 12.882 17.408 13.023 1.00 0.00 N ATOM 70 CA GLU A 6 13.061 17.757 11.611 1.00 0.00 C ATOM 71 C GLU A 6 14.091 16.863 10.906 1.00 0.00 C ATOM 72 O GLU A 6 13.884 16.447 9.770 1.00 0.00 O ATOM 73 CB GLU A 6 13.447 19.229 11.478 1.00 0.00 C ATOM 74 CG GLU A 6 12.440 20.160 12.162 1.00 0.00 C ATOM 75 CD GLU A 6 11.023 20.087 11.565 1.00 0.00 C ATOM 76 OE1 GLU A 6 10.851 20.324 10.346 1.00 0.00 O ATOM 77 OE2 GLU A 6 10.073 19.819 12.340 1.00 0.00 O ATOM 0 H GLU A 6 12.904 18.231 13.625 1.00 0.00 H new ATOM 0 HA GLU A 6 12.106 17.586 11.114 1.00 0.00 H new ATOM 0 HB2 GLU A 6 14.434 19.384 11.913 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.519 19.489 10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.391 19.911 13.222 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.802 21.186 12.092 1.00 0.00 H new ATOM 84 N LYS A 7 15.179 16.515 11.604 1.00 0.00 N ATOM 85 CA LYS A 7 16.230 15.596 11.143 1.00 0.00 C ATOM 86 C LYS A 7 15.701 14.184 10.920 1.00 0.00 C ATOM 87 O LYS A 7 15.931 13.590 9.866 1.00 0.00 O ATOM 88 CB LYS A 7 17.389 15.610 12.157 1.00 0.00 C ATOM 89 CG LYS A 7 17.925 17.012 12.505 1.00 0.00 C ATOM 90 CD LYS A 7 18.380 17.775 11.279 1.00 0.00 C ATOM 91 CE LYS A 7 19.649 17.106 10.752 1.00 0.00 C ATOM 92 NZ LYS A 7 20.407 17.989 9.828 1.00 0.00 N ATOM 0 H LYS A 7 15.359 16.878 12.540 1.00 0.00 H new ATOM 0 HA LYS A 7 16.593 15.939 10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 7 17.056 15.125 13.075 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.208 15.011 11.759 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.147 17.580 13.015 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.758 16.917 13.201 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.601 17.770 10.516 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.575 18.818 11.529 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.287 16.828 11.591 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.384 16.184 10.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 21.259 17.494 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.809 18.234 9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.684 18.858 10.328 1.00 0.00 H new ATOM 106 N LYS A 8 14.956 13.670 11.902 1.00 0.00 N ATOM 107 CA LYS A 8 14.352 12.336 11.870 1.00 0.00 C ATOM 108 C LYS A 8 13.203 12.263 10.865 1.00 0.00 C ATOM 109 O LYS A 8 13.107 11.252 10.171 1.00 0.00 O ATOM 110 CB LYS A 8 13.951 11.943 13.298 1.00 0.00 C ATOM 111 CG LYS A 8 13.429 10.507 13.488 1.00 0.00 C ATOM 112 CD LYS A 8 14.441 9.394 13.162 1.00 0.00 C ATOM 113 CE LYS A 8 14.180 8.797 11.775 1.00 0.00 C ATOM 114 NZ LYS A 8 15.048 7.622 11.507 1.00 0.00 N ATOM 0 H LYS A 8 14.752 14.181 12.761 1.00 0.00 H new ATOM 0 HA LYS A 8 15.077 11.604 11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.816 12.082 13.947 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.182 12.635 13.640 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.104 10.389 14.522 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.549 10.371 12.860 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.453 9.796 13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.378 8.610 13.916 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.134 8.501 11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.353 9.558 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.555 6.965 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.933 7.938 11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.264 7.139 12.402 1.00 0.00 H new ATOM 128 N VAL A 9 12.378 13.308 10.709 1.00 0.00 N ATOM 129 CA VAL A 9 11.364 13.295 9.648 1.00 0.00 C ATOM 130 C VAL A 9 11.983 13.442 8.263 1.00 0.00 C ATOM 131 O VAL A 9 11.525 12.774 7.352 1.00 0.00 O ATOM 132 CB VAL A 9 10.231 14.307 9.804 1.00 0.00 C ATOM 133 CG1 VAL A 9 9.254 13.833 10.874 1.00 0.00 C ATOM 134 CG2 VAL A 9 10.607 15.758 10.066 1.00 0.00 C ATOM 0 H VAL A 9 12.391 14.149 11.286 1.00 0.00 H new ATOM 0 HA VAL A 9 10.909 12.310 9.755 1.00 0.00 H new ATOM 0 HB VAL A 9 9.783 14.333 8.811 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.449 14.560 10.979 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.837 12.869 10.584 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.777 13.731 11.825 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.701 16.358 10.154 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.178 15.824 10.992 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.211 16.132 9.240 1.00 0.00 H new ATOM 144 N ALA A 10 13.019 14.263 8.076 1.00 0.00 N ATOM 145 CA ALA A 10 13.714 14.408 6.792 1.00 0.00 C ATOM 146 C ALA A 10 14.276 13.073 6.266 1.00 0.00 C ATOM 147 O ALA A 10 13.986 12.686 5.133 1.00 0.00 O ATOM 148 CB ALA A 10 14.810 15.475 6.913 1.00 0.00 C ATOM 0 H ALA A 10 13.403 14.851 8.816 1.00 0.00 H new ATOM 0 HA ALA A 10 12.983 14.734 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.323 15.579 5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.360 16.429 7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 10 15.526 15.176 7.679 1.00 0.00 H new ATOM 154 N GLU A 11 15.052 12.332 7.066 1.00 0.00 N ATOM 155 CA GLU A 11 15.527 11.000 6.666 1.00 0.00 C ATOM 156 C GLU A 11 14.389 9.966 6.518 1.00 0.00 C ATOM 157 O GLU A 11 14.401 9.170 5.577 1.00 0.00 O ATOM 158 CB GLU A 11 16.657 10.536 7.597 1.00 0.00 C ATOM 159 CG GLU A 11 16.208 10.189 9.020 1.00 0.00 C ATOM 160 CD GLU A 11 17.396 9.868 9.951 1.00 0.00 C ATOM 161 OE1 GLU A 11 18.336 10.688 10.081 1.00 0.00 O ATOM 162 OE2 GLU A 11 17.375 8.785 10.585 1.00 0.00 O ATOM 0 H GLU A 11 15.364 12.630 7.990 1.00 0.00 H new ATOM 0 HA GLU A 11 15.943 11.084 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.136 9.661 7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.412 11.320 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.642 11.024 9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.535 9.333 8.987 1.00 0.00 H new ATOM 169 N ALA A 12 13.367 9.993 7.384 1.00 0.00 N ATOM 170 CA ALA A 12 12.191 9.126 7.245 1.00 0.00 C ATOM 171 C ALA A 12 11.274 9.479 6.052 1.00 0.00 C ATOM 172 O ALA A 12 10.615 8.606 5.492 1.00 0.00 O ATOM 173 CB ALA A 12 11.431 9.110 8.571 1.00 0.00 C ATOM 0 H ALA A 12 13.332 10.612 8.194 1.00 0.00 H new ATOM 0 HA ALA A 12 12.549 8.124 7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.554 8.469 8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.081 8.727 9.358 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.115 10.123 8.822 1.00 0.00 H new ATOM 179 N GLU A 13 11.252 10.735 5.607 1.00 0.00 N ATOM 180 CA GLU A 13 10.491 11.208 4.444 1.00 0.00 C ATOM 181 C GLU A 13 11.080 10.620 3.163 1.00 0.00 C ATOM 182 O GLU A 13 10.370 10.289 2.219 1.00 0.00 O ATOM 183 CB GLU A 13 10.505 12.745 4.417 1.00 0.00 C ATOM 184 CG GLU A 13 10.039 13.340 3.086 1.00 0.00 C ATOM 185 CD GLU A 13 9.935 14.875 3.169 1.00 0.00 C ATOM 186 OE1 GLU A 13 10.937 15.574 2.882 1.00 0.00 O ATOM 187 OE2 GLU A 13 8.844 15.395 3.509 1.00 0.00 O ATOM 0 H GLU A 13 11.781 11.480 6.060 1.00 0.00 H new ATOM 0 HA GLU A 13 9.455 10.876 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.866 13.120 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.516 13.094 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.737 13.062 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.069 12.921 2.817 1.00 0.00 H new ATOM 194 N LYS A 14 12.397 10.438 3.166 1.00 0.00 N ATOM 195 CA LYS A 14 13.187 9.846 2.088 1.00 0.00 C ATOM 196 C LYS A 14 12.769 8.402 1.831 1.00 0.00 C ATOM 197 O LYS A 14 12.468 8.012 0.702 1.00 0.00 O ATOM 198 CB LYS A 14 14.663 9.979 2.504 1.00 0.00 C ATOM 199 CG LYS A 14 15.492 10.643 1.405 1.00 0.00 C ATOM 200 CD LYS A 14 16.614 11.505 2.004 1.00 0.00 C ATOM 201 CE LYS A 14 16.073 12.863 2.477 1.00 0.00 C ATOM 202 NZ LYS A 14 17.170 13.770 2.906 1.00 0.00 N ATOM 0 H LYS A 14 12.973 10.713 3.961 1.00 0.00 H new ATOM 0 HA LYS A 14 13.024 10.360 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.733 10.565 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.071 8.993 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.922 9.879 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.847 11.262 0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.072 10.980 2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 14 17.395 11.660 1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.508 13.331 1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.381 12.711 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.768 14.677 3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.694 13.334 3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.816 13.935 2.108 1.00 0.00 H new ATOM 216 N LYS A 15 12.628 7.649 2.921 1.00 0.00 N ATOM 217 CA LYS A 15 11.983 6.334 2.954 1.00 0.00 C ATOM 218 C LYS A 15 10.511 6.387 2.515 1.00 0.00 C ATOM 219 O LYS A 15 10.055 5.480 1.823 1.00 0.00 O ATOM 220 CB LYS A 15 12.171 5.770 4.371 1.00 0.00 C ATOM 221 CG LYS A 15 11.306 4.551 4.693 1.00 0.00 C ATOM 222 CD LYS A 15 11.655 3.309 3.848 1.00 0.00 C ATOM 223 CE LYS A 15 10.409 2.492 3.486 1.00 0.00 C ATOM 224 NZ LYS A 15 9.810 1.820 4.671 1.00 0.00 N ATOM 0 H LYS A 15 12.970 7.945 3.835 1.00 0.00 H new ATOM 0 HA LYS A 15 12.449 5.667 2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.219 5.501 4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.950 6.556 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.417 4.305 5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.258 4.806 4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.161 3.622 2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.353 2.680 4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.667 3.148 3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.673 1.742 2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.971 1.280 4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.507 1.174 5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.533 2.536 5.373 1.00 0.00 H new ATOM 238 N VAL A 16 9.768 7.428 2.893 1.00 0.00 N ATOM 239 CA VAL A 16 8.350 7.614 2.505 1.00 0.00 C ATOM 240 C VAL A 16 8.197 7.885 0.995 1.00 0.00 C ATOM 241 O VAL A 16 7.209 7.480 0.389 1.00 0.00 O ATOM 242 CB VAL A 16 7.652 8.666 3.403 1.00 0.00 C ATOM 243 CG1 VAL A 16 6.907 9.798 2.684 1.00 0.00 C ATOM 244 CG2 VAL A 16 6.657 7.966 4.339 1.00 0.00 C ATOM 0 H VAL A 16 10.128 8.178 3.483 1.00 0.00 H new ATOM 0 HA VAL A 16 7.826 6.675 2.683 1.00 0.00 H new ATOM 0 HB VAL A 16 8.476 9.145 3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.463 10.467 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.607 10.357 2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.122 9.376 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.167 8.708 4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.907 7.442 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.189 7.251 4.966 1.00 0.00 H new ATOM 254 N GLU A 17 9.185 8.514 0.357 1.00 0.00 N ATOM 255 CA GLU A 17 9.242 8.740 -1.092 1.00 0.00 C ATOM 256 C GLU A 17 9.571 7.444 -1.851 1.00 0.00 C ATOM 257 O GLU A 17 8.946 7.150 -2.869 1.00 0.00 O ATOM 258 CB GLU A 17 10.278 9.832 -1.411 1.00 0.00 C ATOM 259 CG GLU A 17 9.810 11.253 -1.063 1.00 0.00 C ATOM 260 CD GLU A 17 8.707 11.744 -2.016 1.00 0.00 C ATOM 261 OE1 GLU A 17 9.014 12.143 -3.165 1.00 0.00 O ATOM 262 OE2 GLU A 17 7.510 11.729 -1.641 1.00 0.00 O ATOM 0 H GLU A 17 9.995 8.893 0.848 1.00 0.00 H new ATOM 0 HA GLU A 17 8.259 9.073 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.197 9.618 -0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.521 9.790 -2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.439 11.272 -0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.659 11.936 -1.108 1.00 0.00 H new ATOM 269 N GLU A 18 10.499 6.629 -1.340 1.00 0.00 N ATOM 270 CA GLU A 18 10.737 5.261 -1.833 1.00 0.00 C ATOM 271 C GLU A 18 9.483 4.373 -1.697 1.00 0.00 C ATOM 272 O GLU A 18 9.115 3.656 -2.629 1.00 0.00 O ATOM 273 CB GLU A 18 11.925 4.631 -1.090 1.00 0.00 C ATOM 274 CG GLU A 18 13.268 5.246 -1.502 1.00 0.00 C ATOM 275 CD GLU A 18 14.438 4.525 -0.804 1.00 0.00 C ATOM 276 OE1 GLU A 18 14.753 4.852 0.366 1.00 0.00 O ATOM 277 OE2 GLU A 18 15.057 3.625 -1.425 1.00 0.00 O ATOM 0 H GLU A 18 11.111 6.897 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 18 10.973 5.328 -2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.786 4.756 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.945 3.559 -1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.387 5.179 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.282 6.305 -1.245 1.00 0.00 H new ATOM 284 N ALA A 19 8.783 4.458 -0.564 1.00 0.00 N ATOM 285 CA ALA A 19 7.476 3.837 -0.355 1.00 0.00 C ATOM 286 C ALA A 19 6.426 4.300 -1.395 1.00 0.00 C ATOM 287 O ALA A 19 5.754 3.471 -2.015 1.00 0.00 O ATOM 288 CB ALA A 19 7.060 4.123 1.086 1.00 0.00 C ATOM 0 H ALA A 19 9.118 4.972 0.251 1.00 0.00 H new ATOM 0 HA ALA A 19 7.543 2.760 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.086 3.674 1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.797 3.700 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.000 5.200 1.240 1.00 0.00 H new ATOM 294 N LYS A 20 6.319 5.616 -1.639 1.00 0.00 N ATOM 295 CA LYS A 20 5.448 6.219 -2.668 1.00 0.00 C ATOM 296 C LYS A 20 5.773 5.724 -4.084 1.00 0.00 C ATOM 297 O LYS A 20 4.859 5.373 -4.825 1.00 0.00 O ATOM 298 CB LYS A 20 5.529 7.752 -2.572 1.00 0.00 C ATOM 299 CG LYS A 20 4.436 8.452 -3.398 1.00 0.00 C ATOM 300 CD LYS A 20 4.591 9.979 -3.364 1.00 0.00 C ATOM 301 CE LYS A 20 5.741 10.447 -4.267 1.00 0.00 C ATOM 302 NZ LYS A 20 6.074 11.871 -4.023 1.00 0.00 N ATOM 0 H LYS A 20 6.849 6.311 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 20 4.424 5.900 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.440 8.053 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.509 8.083 -2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.481 8.104 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.455 8.177 -3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.661 10.448 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.775 10.305 -2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.621 9.830 -4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.464 10.310 -5.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.757 12.195 -4.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.209 12.445 -4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.489 11.973 -3.075 1.00 0.00 H new ATOM 316 N LYS A 21 7.055 5.637 -4.460 1.00 0.00 N ATOM 317 CA LYS A 21 7.530 5.055 -5.729 1.00 0.00 C ATOM 318 C LYS A 21 6.983 3.636 -5.949 1.00 0.00 C ATOM 319 O LYS A 21 6.460 3.347 -7.025 1.00 0.00 O ATOM 320 CB LYS A 21 9.071 5.126 -5.748 1.00 0.00 C ATOM 321 CG LYS A 21 9.776 4.640 -7.025 1.00 0.00 C ATOM 322 CD LYS A 21 9.436 5.447 -8.291 1.00 0.00 C ATOM 323 CE LYS A 21 8.303 4.835 -9.124 1.00 0.00 C ATOM 324 NZ LYS A 21 8.722 3.562 -9.768 1.00 0.00 N ATOM 0 H LYS A 21 7.817 5.979 -3.874 1.00 0.00 H new ATOM 0 HA LYS A 21 7.147 5.632 -6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.365 6.161 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.448 4.540 -4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.854 4.676 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.514 3.596 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.156 6.460 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.329 5.527 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.439 4.653 -8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.990 5.545 -9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.882 3.051 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.348 3.769 -10.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.230 2.974 -9.077 1.00 0.00 H new ATOM 338 N LYS A 22 7.019 2.764 -4.936 1.00 0.00 N ATOM 339 CA LYS A 22 6.403 1.423 -5.019 1.00 0.00 C ATOM 340 C LYS A 22 4.877 1.446 -5.077 1.00 0.00 C ATOM 341 O LYS A 22 4.307 0.683 -5.851 1.00 0.00 O ATOM 342 CB LYS A 22 6.938 0.496 -3.915 1.00 0.00 C ATOM 343 CG LYS A 22 8.459 0.262 -4.011 1.00 0.00 C ATOM 344 CD LYS A 22 8.972 -0.129 -5.409 1.00 0.00 C ATOM 345 CE LYS A 22 8.388 -1.451 -5.921 1.00 0.00 C ATOM 346 NZ LYS A 22 8.824 -1.706 -7.317 1.00 0.00 N ATOM 0 H LYS A 22 7.469 2.959 -4.042 1.00 0.00 H new ATOM 0 HA LYS A 22 6.709 1.006 -5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.703 0.926 -2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.424 -0.463 -3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.972 1.170 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.736 -0.523 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.727 0.666 -6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.059 -0.206 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.709 -2.270 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.300 -1.417 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.447 -2.621 -7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.467 -0.950 -7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.863 -1.726 -7.358 1.00 0.00 H new ATOM 360 N ALA A 23 4.203 2.346 -4.365 1.00 0.00 N ATOM 361 CA ALA A 23 2.769 2.568 -4.575 1.00 0.00 C ATOM 362 C ALA A 23 2.445 3.037 -6.014 1.00 0.00 C ATOM 363 O ALA A 23 1.433 2.631 -6.579 1.00 0.00 O ATOM 364 CB ALA A 23 2.237 3.533 -3.508 1.00 0.00 C ATOM 0 H ALA A 23 4.621 2.931 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 23 2.254 1.614 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.171 3.697 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.396 3.105 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.765 4.484 -3.581 1.00 0.00 H new ATOM 370 N GLU A 24 3.312 3.829 -6.653 1.00 0.00 N ATOM 371 CA GLU A 24 3.146 4.286 -8.040 1.00 0.00 C ATOM 372 C GLU A 24 3.391 3.164 -9.067 1.00 0.00 C ATOM 373 O GLU A 24 2.707 3.090 -10.085 1.00 0.00 O ATOM 374 CB GLU A 24 4.014 5.529 -8.302 1.00 0.00 C ATOM 375 CG GLU A 24 3.847 6.048 -9.738 1.00 0.00 C ATOM 376 CD GLU A 24 4.041 7.570 -9.836 1.00 0.00 C ATOM 377 OE1 GLU A 24 5.195 8.055 -9.754 1.00 0.00 O ATOM 378 OE2 GLU A 24 3.019 8.280 -10.012 1.00 0.00 O ATOM 0 H GLU A 24 4.164 4.178 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 24 2.103 4.574 -8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.745 6.316 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.061 5.286 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.567 5.550 -10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.854 5.787 -10.103 1.00 0.00 H new ATOM 385 N ASP A 25 4.290 2.225 -8.783 1.00 0.00 N ATOM 386 CA ASP A 25 4.400 0.980 -9.557 1.00 0.00 C ATOM 387 C ASP A 25 3.119 0.122 -9.484 1.00 0.00 C ATOM 388 O ASP A 25 2.737 -0.528 -10.459 1.00 0.00 O ATOM 389 CB ASP A 25 5.610 0.184 -9.056 1.00 0.00 C ATOM 390 CG ASP A 25 6.959 0.793 -9.461 1.00 0.00 C ATOM 391 OD1 ASP A 25 7.047 1.510 -10.485 1.00 0.00 O ATOM 392 OD2 ASP A 25 7.960 0.534 -8.752 1.00 0.00 O ATOM 0 H ASP A 25 4.960 2.299 -8.017 1.00 0.00 H new ATOM 0 HA ASP A 25 4.534 1.246 -10.606 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.564 0.115 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.550 -0.833 -9.442 1.00 0.00 H new ATOM 397 N GLN A 26 2.420 0.151 -8.346 1.00 0.00 N ATOM 398 CA GLN A 26 1.139 -0.553 -8.161 1.00 0.00 C ATOM 399 C GLN A 26 -0.034 0.213 -8.803 1.00 0.00 C ATOM 400 O GLN A 26 -1.033 -0.373 -9.222 1.00 0.00 O ATOM 401 CB GLN A 26 0.885 -0.791 -6.665 1.00 0.00 C ATOM 402 CG GLN A 26 1.925 -1.685 -5.973 1.00 0.00 C ATOM 403 CD GLN A 26 1.807 -3.142 -6.396 1.00 0.00 C ATOM 404 OE1 GLN A 26 2.339 -3.576 -7.409 1.00 0.00 O ATOM 405 NE2 GLN A 26 1.105 -3.947 -5.634 1.00 0.00 N ATOM 0 H GLN A 26 2.725 0.665 -7.520 1.00 0.00 H new ATOM 0 HA GLN A 26 1.206 -1.516 -8.668 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.858 0.173 -6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.100 -1.242 -6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.926 -1.321 -6.206 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.802 -1.612 -4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.660 -3.590 -4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.005 -4.930 -5.887 1.00 0.00 H new ATOM 414 N LYS A 27 0.096 1.537 -8.907 1.00 0.00 N ATOM 415 CA LYS A 27 -0.768 2.440 -9.679 1.00 0.00 C ATOM 416 C LYS A 27 -0.646 2.198 -11.177 1.00 0.00 C ATOM 417 O LYS A 27 -1.630 2.249 -11.905 1.00 0.00 O ATOM 418 CB LYS A 27 -0.380 3.867 -9.277 1.00 0.00 C ATOM 419 CG LYS A 27 -1.409 4.954 -9.598 1.00 0.00 C ATOM 420 CD LYS A 27 -1.216 5.633 -10.968 1.00 0.00 C ATOM 421 CE LYS A 27 0.159 6.302 -11.157 1.00 0.00 C ATOM 422 NZ LYS A 27 0.337 7.500 -10.291 1.00 0.00 N ATOM 0 H LYS A 27 0.846 2.037 -8.430 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.820 2.260 -9.455 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.187 3.882 -8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.556 4.122 -9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.406 4.515 -9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.368 5.716 -8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.355 4.889 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.994 6.385 -11.100 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.944 5.579 -10.936 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.277 6.592 -12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.350 7.650 -10.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.056 8.336 -10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.158 7.353 -9.388 1.00 0.00 H new ATOM 436 N GLU A 28 0.559 1.893 -11.637 1.00 0.00 N ATOM 437 CA GLU A 28 0.772 1.432 -13.013 1.00 0.00 C ATOM 438 C GLU A 28 -0.051 0.186 -13.357 1.00 0.00 C ATOM 439 O GLU A 28 -0.663 0.137 -14.419 1.00 0.00 O ATOM 440 CB GLU A 28 2.268 1.263 -13.326 1.00 0.00 C ATOM 441 CG GLU A 28 2.585 1.390 -14.824 1.00 0.00 C ATOM 442 CD GLU A 28 2.612 2.860 -15.289 1.00 0.00 C ATOM 443 OE1 GLU A 28 1.531 3.482 -15.424 1.00 0.00 O ATOM 444 OE2 GLU A 28 3.717 3.404 -15.532 1.00 0.00 O ATOM 0 H GLU A 28 1.411 1.955 -11.080 1.00 0.00 H new ATOM 0 HA GLU A 28 0.397 2.217 -13.670 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.836 2.013 -12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.600 0.287 -12.971 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.550 0.927 -15.030 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.839 0.842 -15.400 1.00 0.00 H new ATOM 451 N GLU A 29 -0.193 -0.775 -12.447 1.00 0.00 N ATOM 452 CA GLU A 29 -1.163 -1.863 -12.626 1.00 0.00 C ATOM 453 C GLU A 29 -2.624 -1.394 -12.675 1.00 0.00 C ATOM 454 O GLU A 29 -3.389 -1.868 -13.489 1.00 0.00 O ATOM 455 CB GLU A 29 -1.000 -2.900 -11.531 1.00 0.00 C ATOM 456 CG GLU A 29 0.213 -3.823 -11.642 1.00 0.00 C ATOM 457 CD GLU A 29 0.791 -4.039 -13.055 1.00 0.00 C ATOM 458 OE1 GLU A 29 1.596 -3.194 -13.513 1.00 0.00 O ATOM 459 OE2 GLU A 29 0.479 -5.059 -13.712 1.00 0.00 O ATOM 0 H GLU A 29 0.345 -0.827 -11.582 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.942 -2.298 -13.601 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.947 -2.381 -10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.898 -3.518 -11.509 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.004 -3.423 -11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.061 -4.796 -11.234 1.00 0.00 H new ATOM 466 N ASP A 30 -3.050 -0.474 -11.829 1.00 0.00 N ATOM 467 CA ASP A 30 -4.249 0.385 -11.895 1.00 0.00 C ATOM 468 C ASP A 30 -4.296 1.346 -13.103 1.00 0.00 C ATOM 469 O ASP A 30 -5.190 2.188 -13.209 1.00 0.00 O ATOM 470 CB ASP A 30 -4.403 1.120 -10.550 1.00 0.00 C ATOM 471 CG ASP A 30 -5.838 1.607 -10.283 1.00 0.00 C ATOM 472 OD1 ASP A 30 -6.737 0.747 -10.134 1.00 0.00 O ATOM 473 OD2 ASP A 30 -6.057 2.835 -10.149 1.00 0.00 O ATOM 0 H ASP A 30 -2.516 -0.279 -10.982 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.106 -0.266 -12.066 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.097 0.454 -9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.727 1.975 -10.532 1.00 0.00 H new ATOM 478 N ARG A 31 -3.403 1.154 -14.081 1.00 0.00 N ATOM 479 CA ARG A 31 -3.654 1.448 -15.501 1.00 0.00 C ATOM 480 C ARG A 31 -3.059 0.387 -16.441 1.00 0.00 C ATOM 481 O ARG A 31 -2.747 0.687 -17.586 1.00 0.00 O ATOM 482 CB ARG A 31 -3.285 2.903 -15.836 1.00 0.00 C ATOM 483 CG ARG A 31 -1.796 3.220 -15.662 1.00 0.00 C ATOM 484 CD ARG A 31 -1.566 4.137 -14.452 1.00 0.00 C ATOM 485 NE ARG A 31 -1.751 5.561 -14.790 1.00 0.00 N ATOM 486 CZ ARG A 31 -0.851 6.372 -15.319 1.00 0.00 C ATOM 487 NH1 ARG A 31 0.355 5.987 -15.627 1.00 0.00 N ATOM 488 NH2 ARG A 31 -1.153 7.618 -15.550 1.00 0.00 N ATOM 0 H ARG A 31 -2.469 0.784 -13.907 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.726 1.373 -15.683 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.574 3.113 -16.866 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.866 3.571 -15.200 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.236 2.294 -15.532 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.415 3.699 -16.564 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.255 3.862 -13.654 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.557 3.984 -14.069 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.669 5.961 -14.595 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.640 5.022 -15.462 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.014 6.651 -16.033 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.084 7.968 -15.323 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.459 8.244 -15.958 1.00 0.00 H new ATOM 502 N ARG A 32 -3.003 -0.873 -15.984 1.00 0.00 N ATOM 503 CA ARG A 32 -3.353 -2.088 -16.737 1.00 0.00 C ATOM 504 C ARG A 32 -4.780 -2.584 -16.477 1.00 0.00 C ATOM 505 O ARG A 32 -5.402 -3.133 -17.378 1.00 0.00 O ATOM 506 CB ARG A 32 -2.367 -3.238 -16.469 1.00 0.00 C ATOM 507 CG ARG A 32 -1.069 -3.125 -17.271 1.00 0.00 C ATOM 508 CD ARG A 32 0.031 -2.478 -16.444 1.00 0.00 C ATOM 509 NE ARG A 32 1.173 -2.066 -17.282 1.00 0.00 N ATOM 510 CZ ARG A 32 2.423 -1.868 -16.901 1.00 0.00 C ATOM 511 NH1 ARG A 32 2.843 -2.080 -15.687 1.00 0.00 N ATOM 512 NH2 ARG A 32 3.303 -1.441 -17.761 1.00 0.00 N ATOM 0 H ARG A 32 -2.698 -1.083 -15.034 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.289 -1.788 -17.783 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.128 -3.261 -15.406 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.851 -4.185 -16.707 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.750 -4.116 -17.594 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.245 -2.537 -18.172 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.370 -1.609 -15.922 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.373 -3.178 -15.682 1.00 0.00 H new ATOM 0 HE ARG A 32 0.975 -1.916 -18.271 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.195 -2.416 -14.975 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.820 -1.910 -15.448 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.027 -1.260 -18.726 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.268 -1.287 -17.469 1.00 0.00 H new ATOM 526 N ASN A 33 -5.358 -2.354 -15.295 1.00 0.00 N ATOM 527 CA ASN A 33 -6.769 -2.648 -14.971 1.00 0.00 C ATOM 528 C ASN A 33 -7.801 -2.102 -15.971 1.00 0.00 C ATOM 529 O ASN A 33 -8.922 -2.602 -16.035 1.00 0.00 O ATOM 530 CB ASN A 33 -7.095 -2.248 -13.516 1.00 0.00 C ATOM 531 CG ASN A 33 -7.667 -0.876 -13.269 1.00 0.00 C ATOM 532 OD1 ASN A 33 -8.627 -0.728 -12.533 1.00 0.00 O ATOM 533 ND2 ASN A 33 -7.096 0.145 -13.849 1.00 0.00 N ATOM 0 H ASN A 33 -4.849 -1.947 -14.511 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.866 -3.729 -15.068 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.799 -2.979 -13.119 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.179 -2.338 -12.932 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.453 1.087 -13.689 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.293 0.000 -14.462 1.00 0.00 H new ATOM 540 N TYR A 34 -7.374 -1.129 -16.775 1.00 0.00 N ATOM 541 CA TYR A 34 -8.210 -0.484 -17.817 1.00 0.00 C ATOM 542 C TYR A 34 -7.905 -0.849 -19.270 1.00 0.00 C ATOM 543 O TYR A 34 -8.822 -1.237 -20.000 1.00 0.00 O ATOM 544 CB TYR A 34 -8.392 1.016 -17.549 1.00 0.00 C ATOM 545 CG TYR A 34 -9.086 1.309 -16.255 1.00 0.00 C ATOM 546 CD1 TYR A 34 -10.079 0.455 -15.748 1.00 0.00 C ATOM 547 CD2 TYR A 34 -8.584 2.353 -15.469 1.00 0.00 C ATOM 548 CE1 TYR A 34 -10.528 0.611 -14.439 1.00 0.00 C ATOM 549 CE2 TYR A 34 -9.074 2.546 -14.180 1.00 0.00 C ATOM 550 CZ TYR A 34 -10.069 1.691 -13.648 1.00 0.00 C ATOM 551 OH TYR A 34 -10.528 1.860 -12.377 1.00 0.00 O ATOM 0 H TYR A 34 -6.427 -0.753 -16.730 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.191 -0.947 -17.705 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.414 1.498 -17.546 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.962 1.457 -18.367 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.494 -0.322 -16.373 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.819 3.007 -15.861 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.231 -0.097 -14.025 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.691 3.357 -13.579 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.107 2.650 -11.979 1.00 0.00 H new ATOM 561 N PRO A 35 -6.635 -0.841 -19.678 1.00 0.00 N ATOM 562 CA PRO A 35 -6.144 -1.557 -20.847 1.00 0.00 C ATOM 563 C PRO A 35 -6.607 -3.010 -20.960 1.00 0.00 C ATOM 564 O PRO A 35 -6.814 -3.503 -22.072 1.00 0.00 O ATOM 565 CB PRO A 35 -4.629 -1.474 -20.710 1.00 0.00 C ATOM 566 CG PRO A 35 -4.458 -0.082 -20.126 1.00 0.00 C ATOM 567 CD PRO A 35 -5.588 -0.040 -19.087 1.00 0.00 C ATOM 0 HA PRO A 35 -6.538 -1.107 -21.758 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.233 -2.247 -20.052 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -4.123 -1.582 -21.669 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.477 0.053 -19.670 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.568 0.696 -20.882 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.265 -0.448 -18.129 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.922 0.981 -18.902 1.00 0.00 H new ATOM 575 N THR A 36 -6.720 -3.707 -19.823 1.00 0.00 N ATOM 576 CA THR A 36 -6.635 -5.171 -19.816 1.00 0.00 C ATOM 577 C THR A 36 -7.442 -5.886 -18.737 1.00 0.00 C ATOM 578 O THR A 36 -7.888 -7.005 -18.987 1.00 0.00 O ATOM 579 CB THR A 36 -5.162 -5.626 -19.686 1.00 0.00 C ATOM 580 OG1 THR A 36 -4.258 -4.618 -19.289 1.00 0.00 O ATOM 581 CG2 THR A 36 -4.618 -6.107 -21.019 1.00 0.00 C ATOM 0 H THR A 36 -6.869 -3.286 -18.906 1.00 0.00 H new ATOM 0 HA THR A 36 -7.078 -5.457 -20.770 1.00 0.00 H new ATOM 0 HB THR A 36 -5.215 -6.402 -18.922 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.615 -4.149 -18.506 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.581 -6.420 -20.897 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.213 -6.950 -21.372 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.669 -5.297 -21.746 1.00 0.00 H new ATOM 589 N ASN A 37 -7.574 -5.345 -17.516 1.00 0.00 N ATOM 590 CA ASN A 37 -7.834 -6.149 -16.319 1.00 0.00 C ATOM 591 C ASN A 37 -6.991 -7.428 -16.188 1.00 0.00 C ATOM 592 O ASN A 37 -7.427 -8.488 -15.744 1.00 0.00 O ATOM 593 CB ASN A 37 -9.331 -6.143 -15.962 1.00 0.00 C ATOM 594 CG ASN A 37 -10.117 -7.418 -16.248 1.00 0.00 C ATOM 595 OD1 ASN A 37 -10.781 -7.968 -15.379 1.00 0.00 O ATOM 596 ND2 ASN A 37 -10.106 -7.917 -17.463 1.00 0.00 N ATOM 0 H ASN A 37 -7.503 -4.344 -17.335 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.402 -5.661 -15.445 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.425 -5.919 -14.899 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.805 -5.324 -16.504 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.647 -8.755 -17.675 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.556 -7.466 -18.194 1.00 0.00 H new ATOM 603 N THR A 38 -5.689 -7.201 -16.383 1.00 0.00 N ATOM 604 CA THR A 38 -4.658 -7.764 -15.498 1.00 0.00 C ATOM 605 C THR A 38 -4.793 -7.249 -14.091 1.00 0.00 C ATOM 606 O THR A 38 -4.691 -8.014 -13.136 1.00 0.00 O ATOM 607 CB THR A 38 -3.242 -7.338 -15.894 1.00 0.00 C ATOM 608 OG1 THR A 38 -3.193 -7.352 -17.296 1.00 0.00 O ATOM 609 CG2 THR A 38 -2.167 -8.294 -15.390 1.00 0.00 C ATOM 0 H THR A 38 -5.321 -6.632 -17.145 1.00 0.00 H new ATOM 0 HA THR A 38 -4.802 -8.841 -15.578 1.00 0.00 H new ATOM 0 HB THR A 38 -3.044 -6.360 -15.456 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.299 -7.082 -17.595 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.186 -7.937 -15.704 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.205 -8.343 -14.302 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.340 -9.287 -15.804 1.00 0.00 H new ATOM 617 N TYR A 39 -4.978 -5.925 -14.014 1.00 0.00 N ATOM 618 CA TYR A 39 -4.850 -5.108 -12.835 1.00 0.00 C ATOM 619 C TYR A 39 -3.659 -5.580 -11.982 1.00 0.00 C ATOM 620 O TYR A 39 -2.538 -5.575 -12.482 1.00 0.00 O ATOM 621 CB TYR A 39 -6.255 -5.019 -12.199 1.00 0.00 C ATOM 622 CG TYR A 39 -6.904 -6.292 -11.723 1.00 0.00 C ATOM 623 CD1 TYR A 39 -7.520 -7.095 -12.685 1.00 0.00 C ATOM 624 CD2 TYR A 39 -6.908 -6.672 -10.374 1.00 0.00 C ATOM 625 CE1 TYR A 39 -8.023 -8.353 -12.369 1.00 0.00 C ATOM 626 CE2 TYR A 39 -7.485 -7.913 -10.018 1.00 0.00 C ATOM 627 CZ TYR A 39 -8.032 -8.765 -11.015 1.00 0.00 C ATOM 628 OH TYR A 39 -8.574 -9.964 -10.663 1.00 0.00 O ATOM 0 H TYR A 39 -5.237 -5.376 -14.834 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.565 -4.073 -13.022 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.193 -4.339 -11.349 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.922 -4.558 -12.928 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.608 -6.731 -13.698 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.478 -6.029 -9.620 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -8.400 -9.004 -13.144 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.510 -8.215 -8.981 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.298 -10.192 -9.751 1.00 0.00 H new ATOM 638 N LYS A 40 -3.925 -5.983 -10.739 1.00 0.00 N ATOM 639 CA LYS A 40 -3.060 -6.138 -9.562 1.00 0.00 C ATOM 640 C LYS A 40 -2.879 -4.839 -8.776 1.00 0.00 C ATOM 641 O LYS A 40 -1.872 -4.146 -8.854 1.00 0.00 O ATOM 642 CB LYS A 40 -1.789 -6.984 -9.788 1.00 0.00 C ATOM 643 CG LYS A 40 -2.021 -8.506 -9.731 1.00 0.00 C ATOM 644 CD LYS A 40 -2.893 -9.016 -10.874 1.00 0.00 C ATOM 645 CE LYS A 40 -3.079 -10.532 -10.850 1.00 0.00 C ATOM 646 NZ LYS A 40 -3.931 -10.963 -11.985 1.00 0.00 N ATOM 0 H LYS A 40 -4.882 -6.244 -10.500 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.616 -6.779 -8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.365 -6.729 -10.759 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.048 -6.713 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.058 -9.017 -9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.490 -8.762 -8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.869 -8.534 -10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.445 -8.725 -11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.109 -11.025 -10.907 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.536 -10.835 -9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.747 -11.496 -11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.266 -10.127 -12.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.377 -11.569 -12.624 1.00 0.00 H new ATOM 660 N THR A 41 -3.953 -4.505 -8.057 1.00 0.00 N ATOM 661 CA THR A 41 -4.359 -3.121 -7.759 1.00 0.00 C ATOM 662 C THR A 41 -5.060 -2.931 -6.410 1.00 0.00 C ATOM 663 O THR A 41 -4.947 -1.859 -5.828 1.00 0.00 O ATOM 664 CB THR A 41 -5.338 -2.671 -8.838 1.00 0.00 C ATOM 665 OG1 THR A 41 -6.323 -3.668 -8.905 1.00 0.00 O ATOM 666 CG2 THR A 41 -4.673 -2.559 -10.210 1.00 0.00 C ATOM 0 H THR A 41 -4.581 -5.201 -7.655 1.00 0.00 H new ATOM 0 HA THR A 41 -3.438 -2.539 -7.726 1.00 0.00 H new ATOM 0 HB THR A 41 -5.734 -1.687 -8.587 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.065 -3.358 -9.466 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.409 -2.236 -10.946 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.863 -1.831 -10.163 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.272 -3.530 -10.500 1.00 0.00 H new ATOM 674 N LEU A 42 -5.713 -3.949 -5.834 1.00 0.00 N ATOM 675 CA LEU A 42 -6.089 -3.920 -4.406 1.00 0.00 C ATOM 676 C LEU A 42 -4.810 -3.871 -3.572 1.00 0.00 C ATOM 677 O LEU A 42 -4.716 -3.141 -2.600 1.00 0.00 O ATOM 678 CB LEU A 42 -7.007 -5.086 -3.959 1.00 0.00 C ATOM 679 CG LEU A 42 -8.222 -5.417 -4.829 1.00 0.00 C ATOM 680 CD1 LEU A 42 -9.065 -4.177 -4.994 1.00 0.00 C ATOM 681 CD2 LEU A 42 -7.834 -6.014 -6.175 1.00 0.00 C ATOM 0 H LEU A 42 -5.992 -4.798 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.692 -3.026 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.394 -5.984 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.366 -4.862 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.805 -6.186 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.932 -4.406 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.399 -3.831 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.474 -3.396 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.734 -6.229 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.214 -5.304 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.275 -6.936 -6.016 1.00 0.00 H new ATOM 693 N GLU A 43 -3.780 -4.567 -4.048 1.00 0.00 N ATOM 694 CA GLU A 43 -2.377 -4.447 -3.650 1.00 0.00 C ATOM 695 C GLU A 43 -1.695 -3.085 -3.919 1.00 0.00 C ATOM 696 O GLU A 43 -0.588 -2.868 -3.426 1.00 0.00 O ATOM 697 CB GLU A 43 -1.592 -5.620 -4.243 1.00 0.00 C ATOM 698 CG GLU A 43 -1.862 -5.835 -5.737 1.00 0.00 C ATOM 699 CD GLU A 43 -0.850 -6.851 -6.289 1.00 0.00 C ATOM 700 OE1 GLU A 43 0.322 -6.482 -6.530 1.00 0.00 O ATOM 701 OE2 GLU A 43 -1.232 -8.036 -6.437 1.00 0.00 O ATOM 0 H GLU A 43 -3.911 -5.276 -4.769 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.370 -4.489 -2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.526 -5.447 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.846 -6.530 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.879 -6.198 -5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.778 -4.890 -6.274 1.00 0.00 H new ATOM 708 N LEU A 44 -2.330 -2.148 -4.635 1.00 0.00 N ATOM 709 CA LEU A 44 -1.998 -0.718 -4.548 1.00 0.00 C ATOM 710 C LEU A 44 -2.481 -0.188 -3.197 1.00 0.00 C ATOM 711 O LEU A 44 -1.687 0.325 -2.423 1.00 0.00 O ATOM 712 CB LEU A 44 -2.646 0.064 -5.714 1.00 0.00 C ATOM 713 CG LEU A 44 -2.085 1.457 -6.047 1.00 0.00 C ATOM 714 CD1 LEU A 44 -3.059 2.162 -6.991 1.00 0.00 C ATOM 715 CD2 LEU A 44 -1.842 2.392 -4.869 1.00 0.00 C ATOM 0 H LEU A 44 -3.085 -2.357 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.919 -0.583 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.570 -0.550 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.707 0.175 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.104 1.260 -6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.675 3.152 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.167 1.578 -7.905 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.030 2.260 -6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.447 3.341 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.781 2.567 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.124 1.938 -4.186 1.00 0.00 H new ATOM 727 N GLU A 45 -3.769 -0.334 -2.889 1.00 0.00 N ATOM 728 CA GLU A 45 -4.374 0.204 -1.665 1.00 0.00 C ATOM 729 C GLU A 45 -3.924 -0.513 -0.380 1.00 0.00 C ATOM 730 O GLU A 45 -3.811 0.150 0.649 1.00 0.00 O ATOM 731 CB GLU A 45 -5.901 0.252 -1.798 1.00 0.00 C ATOM 732 CG GLU A 45 -6.332 1.400 -2.707 1.00 0.00 C ATOM 733 CD GLU A 45 -7.856 1.389 -2.939 1.00 0.00 C ATOM 734 OE1 GLU A 45 -8.602 1.999 -2.134 1.00 0.00 O ATOM 735 OE2 GLU A 45 -8.321 0.781 -3.934 1.00 0.00 O ATOM 0 H GLU A 45 -4.430 -0.833 -3.485 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.004 1.223 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.265 -0.693 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.352 0.373 -0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.037 2.350 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.816 1.323 -3.664 1.00 0.00 H new ATOM 742 N ILE A 46 -3.583 -1.810 -0.419 1.00 0.00 N ATOM 743 CA ILE A 46 -2.833 -2.490 0.669 1.00 0.00 C ATOM 744 C ILE A 46 -1.532 -1.738 0.953 1.00 0.00 C ATOM 745 O ILE A 46 -1.305 -1.291 2.080 1.00 0.00 O ATOM 746 CB ILE A 46 -2.488 -3.942 0.292 1.00 0.00 C ATOM 747 CG1 ILE A 46 -3.733 -4.796 0.220 1.00 0.00 C ATOM 748 CG2 ILE A 46 -1.433 -4.615 1.198 1.00 0.00 C ATOM 749 CD1 ILE A 46 -3.545 -6.169 -0.428 1.00 0.00 C ATOM 0 H ILE A 46 -3.815 -2.423 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.470 -2.497 1.553 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.029 -3.870 -0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.115 -4.938 1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.496 -4.251 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.256 -5.634 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.502 -4.050 1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.796 -4.636 2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.495 -6.703 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.196 -6.043 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.809 -6.741 0.138 1.00 0.00 H new ATOM 761 N ALA A 47 -0.677 -1.617 -0.074 1.00 0.00 N ATOM 762 CA ALA A 47 0.620 -0.963 0.047 1.00 0.00 C ATOM 763 C ALA A 47 0.449 0.491 0.504 1.00 0.00 C ATOM 764 O ALA A 47 1.077 0.912 1.466 1.00 0.00 O ATOM 765 CB ALA A 47 1.368 -1.070 -1.288 1.00 0.00 C ATOM 0 H ALA A 47 -0.873 -1.973 -1.010 1.00 0.00 H new ATOM 0 HA ALA A 47 1.218 -1.463 0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.339 -0.582 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.511 -2.120 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.786 -0.584 -2.071 1.00 0.00 H new ATOM 771 N GLU A 48 -0.445 1.245 -0.133 1.00 0.00 N ATOM 772 CA GLU A 48 -0.713 2.647 0.185 1.00 0.00 C ATOM 773 C GLU A 48 -1.205 2.816 1.628 1.00 0.00 C ATOM 774 O GLU A 48 -0.695 3.681 2.336 1.00 0.00 O ATOM 775 CB GLU A 48 -1.697 3.243 -0.833 1.00 0.00 C ATOM 776 CG GLU A 48 -1.868 4.756 -0.651 1.00 0.00 C ATOM 777 CD GLU A 48 -2.732 5.364 -1.774 1.00 0.00 C ATOM 778 OE1 GLU A 48 -3.967 5.140 -1.788 1.00 0.00 O ATOM 779 OE2 GLU A 48 -2.183 6.089 -2.640 1.00 0.00 O ATOM 0 H GLU A 48 -1.016 0.891 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 48 0.223 3.201 0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.342 3.037 -1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.666 2.754 -0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.330 4.958 0.315 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.889 5.236 -0.643 1.00 0.00 H new ATOM 786 N SER A 49 -2.133 1.975 2.099 1.00 0.00 N ATOM 787 CA SER A 49 -2.606 2.017 3.487 1.00 0.00 C ATOM 788 C SER A 49 -1.495 1.731 4.507 1.00 0.00 C ATOM 789 O SER A 49 -1.316 2.525 5.427 1.00 0.00 O ATOM 790 CB SER A 49 -3.790 1.077 3.672 1.00 0.00 C ATOM 791 OG SER A 49 -4.884 1.463 2.860 1.00 0.00 O ATOM 0 H SER A 49 -2.575 1.251 1.533 1.00 0.00 H new ATOM 0 HA SER A 49 -2.936 3.037 3.683 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.491 0.059 3.423 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.094 1.073 4.719 1.00 0.00 H new ATOM 0 HG SER A 49 -4.751 1.124 1.950 1.00 0.00 H new ATOM 797 N ASP A 50 -0.697 0.665 4.346 1.00 0.00 N ATOM 798 CA ASP A 50 0.496 0.415 5.173 1.00 0.00 C ATOM 799 C ASP A 50 1.550 1.543 5.099 1.00 0.00 C ATOM 800 O ASP A 50 2.157 1.910 6.102 1.00 0.00 O ATOM 801 CB ASP A 50 1.142 -0.902 4.738 1.00 0.00 C ATOM 802 CG ASP A 50 2.183 -1.382 5.758 1.00 0.00 C ATOM 803 OD1 ASP A 50 1.782 -1.764 6.883 1.00 0.00 O ATOM 804 OD2 ASP A 50 3.394 -1.403 5.436 1.00 0.00 O ATOM 0 H ASP A 50 -0.860 -0.050 3.637 1.00 0.00 H new ATOM 0 HA ASP A 50 0.155 0.370 6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.372 -1.664 4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.617 -0.772 3.766 1.00 0.00 H new ATOM 809 N VAL A 51 1.770 2.135 3.925 1.00 0.00 N ATOM 810 CA VAL A 51 2.680 3.278 3.732 1.00 0.00 C ATOM 811 C VAL A 51 2.138 4.522 4.445 1.00 0.00 C ATOM 812 O VAL A 51 2.895 5.296 5.031 1.00 0.00 O ATOM 813 CB VAL A 51 2.937 3.497 2.230 1.00 0.00 C ATOM 814 CG1 VAL A 51 3.602 4.841 1.922 1.00 0.00 C ATOM 815 CG2 VAL A 51 3.859 2.373 1.731 1.00 0.00 C ATOM 0 H VAL A 51 1.316 1.833 3.063 1.00 0.00 H new ATOM 0 HA VAL A 51 3.647 3.064 4.188 1.00 0.00 H new ATOM 0 HB VAL A 51 1.969 3.492 1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.756 4.933 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.961 5.652 2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.564 4.896 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.055 2.508 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.800 2.404 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.377 1.409 1.891 1.00 0.00 H new ATOM 825 N GLU A 52 0.820 4.693 4.492 1.00 0.00 N ATOM 826 CA GLU A 52 0.166 5.722 5.295 1.00 0.00 C ATOM 827 C GLU A 52 0.131 5.442 6.808 1.00 0.00 C ATOM 828 O GLU A 52 -0.114 6.368 7.583 1.00 0.00 O ATOM 829 CB GLU A 52 -1.241 6.020 4.752 1.00 0.00 C ATOM 830 CG GLU A 52 -1.207 6.905 3.505 1.00 0.00 C ATOM 831 CD GLU A 52 -2.611 7.440 3.162 1.00 0.00 C ATOM 832 OE1 GLU A 52 -3.452 6.679 2.625 1.00 0.00 O ATOM 833 OE2 GLU A 52 -2.885 8.638 3.424 1.00 0.00 O ATOM 0 H GLU A 52 0.167 4.113 3.966 1.00 0.00 H new ATOM 0 HA GLU A 52 0.793 6.608 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.743 5.082 4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.831 6.510 5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.526 7.741 3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.816 6.335 2.662 1.00 0.00 H new ATOM 840 N VAL A 53 0.465 4.227 7.268 1.00 0.00 N ATOM 841 CA VAL A 53 0.744 3.984 8.696 1.00 0.00 C ATOM 842 C VAL A 53 2.029 4.707 9.057 1.00 0.00 C ATOM 843 O VAL A 53 2.123 5.392 10.078 1.00 0.00 O ATOM 844 CB VAL A 53 0.928 2.480 9.002 1.00 0.00 C ATOM 845 CG1 VAL A 53 1.332 2.190 10.439 1.00 0.00 C ATOM 846 CG2 VAL A 53 -0.350 1.686 8.752 1.00 0.00 C ATOM 0 H VAL A 53 0.549 3.400 6.677 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.104 4.346 9.277 1.00 0.00 H new ATOM 0 HB VAL A 53 1.728 2.177 8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.442 1.114 10.576 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.280 2.682 10.657 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.564 2.566 11.116 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.175 0.634 8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.147 2.068 9.390 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.643 1.787 7.707 1.00 0.00 H new ATOM 856 N LYS A 54 3.008 4.582 8.158 1.00 0.00 N ATOM 857 CA LYS A 54 4.306 5.223 8.257 1.00 0.00 C ATOM 858 C LYS A 54 4.128 6.729 8.239 1.00 0.00 C ATOM 859 O LYS A 54 4.528 7.413 9.176 1.00 0.00 O ATOM 860 CB LYS A 54 5.178 4.676 7.111 1.00 0.00 C ATOM 861 CG LYS A 54 6.211 3.706 7.686 1.00 0.00 C ATOM 862 CD LYS A 54 5.566 2.422 8.244 1.00 0.00 C ATOM 863 CE LYS A 54 6.550 1.524 9.007 1.00 0.00 C ATOM 864 NZ LYS A 54 7.120 2.194 10.208 1.00 0.00 N ATOM 0 H LYS A 54 2.909 4.012 7.318 1.00 0.00 H new ATOM 0 HA LYS A 54 4.814 5.000 9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.555 4.169 6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.678 5.496 6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.928 3.441 6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.770 4.203 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.746 2.696 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.133 1.855 7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.041 0.610 9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.360 1.230 8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.401 1.476 10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.953 2.752 9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.405 2.823 10.627 1.00 0.00 H new ATOM 878 N LYS A 55 3.410 7.228 7.236 1.00 0.00 N ATOM 879 CA LYS A 55 3.059 8.641 7.081 1.00 0.00 C ATOM 880 C LYS A 55 2.505 9.294 8.351 1.00 0.00 C ATOM 881 O LYS A 55 2.957 10.374 8.723 1.00 0.00 O ATOM 882 CB LYS A 55 2.053 8.748 5.923 1.00 0.00 C ATOM 883 CG LYS A 55 1.965 10.121 5.253 1.00 0.00 C ATOM 884 CD LYS A 55 3.351 10.543 4.739 1.00 0.00 C ATOM 885 CE LYS A 55 4.022 11.519 5.721 1.00 0.00 C ATOM 886 NZ LYS A 55 3.659 12.935 5.449 1.00 0.00 N ATOM 0 H LYS A 55 3.044 6.644 6.484 1.00 0.00 H new ATOM 0 HA LYS A 55 3.974 9.194 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.317 8.010 5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.065 8.481 6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.256 10.087 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.591 10.858 5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.979 9.662 4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.254 11.013 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.732 11.262 6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.104 11.406 5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.948 13.528 6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.144 13.258 4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.630 13.010 5.316 1.00 0.00 H new ATOM 900 N ALA A 56 1.561 8.634 9.018 1.00 0.00 N ATOM 901 CA ALA A 56 0.895 9.156 10.209 1.00 0.00 C ATOM 902 C ALA A 56 1.877 9.287 11.376 1.00 0.00 C ATOM 903 O ALA A 56 1.873 10.292 12.090 1.00 0.00 O ATOM 904 CB ALA A 56 -0.283 8.237 10.560 1.00 0.00 C ATOM 0 H ALA A 56 1.233 7.708 8.742 1.00 0.00 H new ATOM 0 HA ALA A 56 0.516 10.158 10.007 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.788 8.616 11.448 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.985 8.211 9.726 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.087 7.230 10.755 1.00 0.00 H new ATOM 910 N GLU A 57 2.744 8.289 11.560 1.00 0.00 N ATOM 911 CA GLU A 57 3.714 8.306 12.643 1.00 0.00 C ATOM 912 C GLU A 57 4.936 9.208 12.370 1.00 0.00 C ATOM 913 O GLU A 57 5.461 9.769 13.330 1.00 0.00 O ATOM 914 CB GLU A 57 4.020 6.868 13.075 1.00 0.00 C ATOM 915 CG GLU A 57 5.199 6.186 12.391 1.00 0.00 C ATOM 916 CD GLU A 57 5.231 4.673 12.693 1.00 0.00 C ATOM 917 OE1 GLU A 57 4.903 4.268 13.838 1.00 0.00 O ATOM 918 OE2 GLU A 57 5.610 3.885 11.792 1.00 0.00 O ATOM 0 H GLU A 57 2.789 7.459 10.968 1.00 0.00 H new ATOM 0 HA GLU A 57 3.275 8.801 13.509 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.202 6.867 14.150 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.130 6.264 12.902 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.136 6.342 11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.130 6.644 12.725 1.00 0.00 H new ATOM 925 N LEU A 58 5.349 9.452 11.109 1.00 0.00 N ATOM 926 CA LEU A 58 6.365 10.477 10.802 1.00 0.00 C ATOM 927 C LEU A 58 5.885 11.883 11.206 1.00 0.00 C ATOM 928 O LEU A 58 6.614 12.616 11.871 1.00 0.00 O ATOM 929 CB LEU A 58 6.809 10.485 9.319 1.00 0.00 C ATOM 930 CG LEU A 58 7.228 9.164 8.648 1.00 0.00 C ATOM 931 CD1 LEU A 58 8.010 9.499 7.386 1.00 0.00 C ATOM 932 CD2 LEU A 58 8.060 8.258 9.556 1.00 0.00 C ATOM 0 H LEU A 58 4.996 8.955 10.291 1.00 0.00 H new ATOM 0 HA LEU A 58 7.236 10.204 11.397 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.989 10.903 8.735 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.647 11.176 9.232 1.00 0.00 H new ATOM 0 HG LEU A 58 6.322 8.604 8.417 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.318 8.577 6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.380 10.079 6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.893 10.082 7.649 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.320 7.346 9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.971 8.778 9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.482 8.004 10.445 1.00 0.00 H new ATOM 944 N GLU A 59 4.645 12.263 10.875 1.00 0.00 N ATOM 945 CA GLU A 59 4.070 13.535 11.329 1.00 0.00 C ATOM 946 C GLU A 59 4.072 13.669 12.859 1.00 0.00 C ATOM 947 O GLU A 59 4.262 14.773 13.370 1.00 0.00 O ATOM 948 CB GLU A 59 2.651 13.721 10.770 1.00 0.00 C ATOM 949 CG GLU A 59 2.559 13.822 9.238 1.00 0.00 C ATOM 950 CD GLU A 59 3.450 14.914 8.621 1.00 0.00 C ATOM 951 OE1 GLU A 59 3.478 16.059 9.131 1.00 0.00 O ATOM 952 OE2 GLU A 59 4.121 14.629 7.600 1.00 0.00 O ATOM 0 H GLU A 59 4.019 11.706 10.293 1.00 0.00 H new ATOM 0 HA GLU A 59 4.709 14.328 10.940 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.035 12.885 11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.222 14.624 11.204 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.832 12.860 8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.523 14.015 8.960 1.00 0.00 H new ATOM 959 N LEU A 60 3.939 12.563 13.601 1.00 0.00 N ATOM 960 CA LEU A 60 4.084 12.576 15.058 1.00 0.00 C ATOM 961 C LEU A 60 5.523 12.449 15.598 1.00 0.00 C ATOM 962 O LEU A 60 5.722 12.780 16.766 1.00 0.00 O ATOM 963 CB LEU A 60 3.093 11.600 15.723 1.00 0.00 C ATOM 964 CG LEU A 60 2.102 12.297 16.682 1.00 0.00 C ATOM 965 CD1 LEU A 60 2.786 13.051 17.828 1.00 0.00 C ATOM 966 CD2 LEU A 60 1.149 13.243 15.943 1.00 0.00 C ATOM 0 H LEU A 60 3.730 11.644 13.212 1.00 0.00 H new ATOM 0 HA LEU A 60 3.816 13.589 15.357 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.532 11.078 14.948 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.652 10.845 16.275 1.00 0.00 H new ATOM 0 HG LEU A 60 1.526 11.483 17.121 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.030 13.515 18.461 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.377 12.353 18.421 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.439 13.822 17.418 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.472 13.709 16.659 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.725 14.015 15.433 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.571 12.679 15.211 1.00 0.00 H new ATOM 978 N VAL A 61 6.548 12.099 14.802 1.00 0.00 N ATOM 979 CA VAL A 61 7.952 12.335 15.213 1.00 0.00 C ATOM 980 C VAL A 61 8.180 13.823 15.498 1.00 0.00 C ATOM 981 O VAL A 61 8.797 14.190 16.504 1.00 0.00 O ATOM 982 CB VAL A 61 8.948 11.808 14.162 1.00 0.00 C ATOM 983 CG1 VAL A 61 10.391 12.261 14.402 1.00 0.00 C ATOM 984 CG2 VAL A 61 8.948 10.276 14.113 1.00 0.00 C ATOM 0 H VAL A 61 6.440 11.660 13.888 1.00 0.00 H new ATOM 0 HA VAL A 61 8.133 11.777 16.132 1.00 0.00 H new ATOM 0 HB VAL A 61 8.602 12.231 13.219 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.035 11.852 13.624 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.439 13.350 14.378 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.727 11.904 15.376 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.661 9.936 13.362 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.232 9.881 15.088 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.951 9.920 13.854 1.00 0.00 H new ATOM 994 N LYS A 62 7.616 14.696 14.652 1.00 0.00 N ATOM 995 CA LYS A 62 7.549 16.135 14.951 1.00 0.00 C ATOM 996 C LYS A 62 6.778 16.409 16.227 1.00 0.00 C ATOM 997 O LYS A 62 7.359 16.969 17.152 1.00 0.00 O ATOM 998 CB LYS A 62 6.957 16.944 13.803 1.00 0.00 C ATOM 999 CG LYS A 62 7.906 16.900 12.610 1.00 0.00 C ATOM 1000 CD LYS A 62 7.343 17.726 11.454 1.00 0.00 C ATOM 1001 CE LYS A 62 6.116 17.040 10.838 1.00 0.00 C ATOM 1002 NZ LYS A 62 5.534 17.815 9.715 1.00 0.00 N ATOM 0 H LYS A 62 7.201 14.433 13.758 1.00 0.00 H new ATOM 0 HA LYS A 62 8.581 16.458 15.090 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.984 16.540 13.523 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.796 17.976 14.116 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.883 17.286 12.900 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.053 15.868 12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.069 18.719 11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.110 17.862 10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.398 16.049 10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.358 16.899 11.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.635 17.382 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.364 18.794 10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.195 17.813 8.912 1.00 0.00 H new ATOM 1016 N GLU A 63 5.494 16.045 16.301 1.00 0.00 N ATOM 1017 CA GLU A 63 4.605 16.652 17.291 1.00 0.00 C ATOM 1018 C GLU A 63 4.777 16.039 18.695 1.00 0.00 C ATOM 1019 O GLU A 63 4.120 16.472 19.639 1.00 0.00 O ATOM 1020 CB GLU A 63 3.156 16.644 16.775 1.00 0.00 C ATOM 1021 CG GLU A 63 2.933 17.468 15.496 1.00 0.00 C ATOM 1022 CD GLU A 63 3.276 18.960 15.671 1.00 0.00 C ATOM 1023 OE1 GLU A 63 2.590 19.657 16.457 1.00 0.00 O ATOM 1024 OE2 GLU A 63 4.225 19.445 15.009 1.00 0.00 O ATOM 0 H GLU A 63 5.055 15.347 15.700 1.00 0.00 H new ATOM 0 HA GLU A 63 4.889 17.696 17.421 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.856 15.613 16.586 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.502 17.027 17.558 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.542 17.053 14.693 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.892 17.374 15.188 1.00 0.00 H new ATOM 1031 N GLU A 64 5.697 15.077 18.861 1.00 0.00 N ATOM 1032 CA GLU A 64 6.167 14.615 20.161 1.00 0.00 C ATOM 1033 C GLU A 64 7.377 15.425 20.665 1.00 0.00 C ATOM 1034 O GLU A 64 7.368 15.872 21.810 1.00 0.00 O ATOM 1035 CB GLU A 64 6.418 13.099 20.110 1.00 0.00 C ATOM 1036 CG GLU A 64 7.705 12.635 19.409 1.00 0.00 C ATOM 1037 CD GLU A 64 7.830 11.102 19.326 1.00 0.00 C ATOM 1038 OE1 GLU A 64 7.372 10.410 20.265 1.00 0.00 O ATOM 1039 OE2 GLU A 64 8.455 10.582 18.372 1.00 0.00 O ATOM 0 H GLU A 64 6.138 14.595 18.078 1.00 0.00 H new ATOM 0 HA GLU A 64 5.389 14.793 20.904 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.433 12.722 21.133 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.570 12.630 19.610 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.733 13.051 18.402 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.567 13.035 19.943 1.00 0.00 H new ATOM 1046 N ALA A 65 8.412 15.652 19.842 1.00 0.00 N ATOM 1047 CA ALA A 65 9.646 16.322 20.291 1.00 0.00 C ATOM 1048 C ALA A 65 9.589 17.870 20.203 1.00 0.00 C ATOM 1049 O ALA A 65 10.481 18.571 20.685 1.00 0.00 O ATOM 1050 CB ALA A 65 10.812 15.694 19.527 1.00 0.00 C ATOM 0 H ALA A 65 8.420 15.381 18.859 1.00 0.00 H new ATOM 0 HA ALA A 65 9.784 16.158 21.360 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.745 16.166 19.834 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.857 14.627 19.744 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.667 15.840 18.457 1.00 0.00 H new ATOM 1056 N LYS A 66 8.500 18.401 19.637 1.00 0.00 N ATOM 1057 CA LYS A 66 8.035 19.803 19.596 1.00 0.00 C ATOM 1058 C LYS A 66 7.645 20.429 20.948 1.00 0.00 C ATOM 1059 O LYS A 66 7.155 21.556 21.012 1.00 0.00 O ATOM 1060 CB LYS A 66 6.774 19.779 18.711 1.00 0.00 C ATOM 1061 CG LYS A 66 6.897 20.581 17.432 1.00 0.00 C ATOM 1062 CD LYS A 66 8.043 20.296 16.456 1.00 0.00 C ATOM 1063 CE LYS A 66 7.842 21.231 15.252 1.00 0.00 C ATOM 1064 NZ LYS A 66 9.039 21.328 14.380 1.00 0.00 N ATOM 0 H LYS A 66 7.846 17.796 19.140 1.00 0.00 H new ATOM 0 HA LYS A 66 8.863 20.413 19.234 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.542 18.745 18.457 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.932 20.162 19.287 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.964 20.458 16.881 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.965 21.632 17.714 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.008 20.477 16.929 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.033 19.252 16.141 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.998 20.875 14.661 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.582 22.226 15.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.006 22.218 13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.898 21.309 14.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.053 20.525 13.719 1.00 0.00 H new ATOM 1078 N GLU A 67 7.748 19.650 22.009 1.00 0.00 N ATOM 1079 CA GLU A 67 6.732 19.382 22.994 1.00 0.00 C ATOM 1080 C GLU A 67 7.421 18.632 24.065 1.00 0.00 C ATOM 1081 O GLU A 67 8.562 18.167 23.903 1.00 0.00 O ATOM 1082 CB GLU A 67 5.734 18.362 22.420 1.00 0.00 C ATOM 1083 CG GLU A 67 4.328 18.780 22.073 1.00 0.00 C ATOM 1084 CD GLU A 67 3.663 19.864 22.948 1.00 0.00 C ATOM 1085 OE1 GLU A 67 4.073 21.047 22.885 1.00 0.00 O ATOM 1086 OE2 GLU A 67 2.692 19.546 23.676 1.00 0.00 O ATOM 0 H GLU A 67 8.614 19.152 22.215 1.00 0.00 H new ATOM 0 HA GLU A 67 6.242 20.305 23.305 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.180 17.950 21.515 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.659 17.546 23.138 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.329 19.135 21.043 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.697 17.892 22.103 1.00 0.00 H new ATOM 1093 N PRO A 68 6.697 18.460 25.177 1.00 0.00 N ATOM 1094 CA PRO A 68 7.377 18.012 26.334 1.00 0.00 C ATOM 1095 C PRO A 68 7.660 16.537 26.401 1.00 0.00 C ATOM 1096 O PRO A 68 8.092 15.961 27.403 1.00 0.00 O ATOM 1097 CB PRO A 68 6.503 18.449 27.465 1.00 0.00 C ATOM 1098 CG PRO A 68 5.161 18.097 26.854 1.00 0.00 C ATOM 1099 CD PRO A 68 5.307 18.724 25.496 1.00 0.00 C ATOM 0 HA PRO A 68 8.380 18.438 26.353 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.703 17.907 28.389 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.601 19.511 27.690 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.000 17.020 26.799 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.326 18.516 27.417 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.631 18.276 24.767 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.091 19.792 25.517 1.00 0.00 H new ATOM 1107 N ARG A 69 7.274 15.945 25.295 1.00 0.00 N ATOM 1108 CA ARG A 69 7.090 14.592 25.058 1.00 0.00 C ATOM 1109 C ARG A 69 6.190 13.985 26.105 1.00 0.00 C ATOM 1110 O ARG A 69 6.467 12.974 26.749 1.00 0.00 O ATOM 1111 CB ARG A 69 8.497 14.094 24.805 1.00 0.00 C ATOM 1112 CG ARG A 69 8.399 13.265 23.551 1.00 0.00 C ATOM 1113 CD ARG A 69 7.482 12.087 23.910 1.00 0.00 C ATOM 1114 NE ARG A 69 7.580 10.939 23.000 1.00 0.00 N ATOM 1115 CZ ARG A 69 7.751 9.674 23.341 1.00 0.00 C ATOM 1116 NH1 ARG A 69 7.903 9.286 24.575 1.00 0.00 N ATOM 1117 NH2 ARG A 69 7.753 8.766 22.419 1.00 0.00 N ATOM 0 H ARG A 69 7.065 16.495 24.462 1.00 0.00 H new ATOM 0 HA ARG A 69 6.510 14.287 24.187 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.192 14.924 24.676 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.862 13.500 25.643 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.986 13.847 22.727 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.381 12.915 23.234 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.718 11.754 24.921 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.450 12.437 23.923 1.00 0.00 H new ATOM 0 HE ARG A 69 7.509 11.138 22.002 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.893 9.972 25.330 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.032 8.296 24.786 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.624 9.031 21.442 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.884 7.786 22.669 1.00 0.00 H new ATOM 1131 N ASN A 70 5.025 14.627 26.145 1.00 0.00 N ATOM 1132 CA ASN A 70 3.832 14.044 26.679 1.00 0.00 C ATOM 1133 C ASN A 70 3.342 13.026 25.649 1.00 0.00 C ATOM 1134 O ASN A 70 2.539 13.306 24.763 1.00 0.00 O ATOM 1135 CB ASN A 70 2.777 15.100 27.054 1.00 0.00 C ATOM 1136 CG ASN A 70 1.514 14.436 27.589 1.00 0.00 C ATOM 1137 OD1 ASN A 70 1.541 13.337 28.126 1.00 0.00 O ATOM 1138 ND2 ASN A 70 0.366 15.050 27.432 1.00 0.00 N ATOM 0 H ASN A 70 4.898 15.578 25.799 1.00 0.00 H new ATOM 0 HA ASN A 70 4.035 13.541 27.624 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.184 15.776 27.806 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.534 15.704 26.180 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.496 14.611 27.757 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.335 15.966 26.985 1.00 0.00 H new ATOM 1145 N GLU A 71 3.929 11.849 25.776 1.00 0.00 N ATOM 1146 CA GLU A 71 3.758 10.606 25.026 1.00 0.00 C ATOM 1147 C GLU A 71 2.307 10.247 24.631 1.00 0.00 C ATOM 1148 O GLU A 71 2.084 9.514 23.670 1.00 0.00 O ATOM 1149 CB GLU A 71 4.437 9.543 25.891 1.00 0.00 C ATOM 1150 CG GLU A 71 4.645 8.257 25.111 1.00 0.00 C ATOM 1151 CD GLU A 71 5.464 7.212 25.893 1.00 0.00 C ATOM 1152 OE1 GLU A 71 4.924 6.586 26.837 1.00 0.00 O ATOM 1153 OE2 GLU A 71 6.659 7.009 25.558 1.00 0.00 O ATOM 0 H GLU A 71 4.632 11.722 26.504 1.00 0.00 H new ATOM 0 HA GLU A 71 4.211 10.698 24.039 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.398 9.917 26.245 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.828 9.343 26.773 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.675 7.833 24.853 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.153 8.484 24.174 1.00 0.00 H new ATOM 1160 N GLU A 72 1.310 10.847 25.280 1.00 0.00 N ATOM 1161 CA GLU A 72 -0.091 10.827 24.862 1.00 0.00 C ATOM 1162 C GLU A 72 -0.271 11.239 23.391 1.00 0.00 C ATOM 1163 O GLU A 72 -1.110 10.672 22.689 1.00 0.00 O ATOM 1164 CB GLU A 72 -0.887 11.779 25.764 1.00 0.00 C ATOM 1165 CG GLU A 72 -1.111 11.196 27.165 1.00 0.00 C ATOM 1166 CD GLU A 72 -1.977 12.112 28.059 1.00 0.00 C ATOM 1167 OE1 GLU A 72 -1.823 13.358 28.023 1.00 0.00 O ATOM 1168 OE2 GLU A 72 -2.828 11.583 28.817 1.00 0.00 O ATOM 0 H GLU A 72 1.460 11.377 26.138 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.456 9.804 24.956 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.356 12.727 25.847 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.851 11.993 25.303 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.592 10.222 27.076 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.146 11.033 27.645 1.00 0.00 H new ATOM 1175 N LYS A 73 0.513 12.214 22.904 1.00 0.00 N ATOM 1176 CA LYS A 73 0.370 12.736 21.538 1.00 0.00 C ATOM 1177 C LYS A 73 0.891 11.780 20.463 1.00 0.00 C ATOM 1178 O LYS A 73 0.197 11.557 19.474 1.00 0.00 O ATOM 1179 CB LYS A 73 0.945 14.151 21.388 1.00 0.00 C ATOM 1180 CG LYS A 73 0.613 15.172 22.492 1.00 0.00 C ATOM 1181 CD LYS A 73 -0.803 15.205 23.093 1.00 0.00 C ATOM 1182 CE LYS A 73 -1.970 15.092 22.107 1.00 0.00 C ATOM 1183 NZ LYS A 73 -2.037 16.218 21.139 1.00 0.00 N ATOM 0 H LYS A 73 1.257 12.659 23.442 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.704 12.813 21.367 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.030 14.068 21.321 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.597 14.557 20.438 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.312 15.005 23.312 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.821 16.164 22.092 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.886 14.392 23.814 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.916 16.136 23.649 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.882 14.155 21.557 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.905 15.047 22.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.847 16.080 20.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.151 17.113 21.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.160 16.249 20.581 1.00 0.00 H new ATOM 1197 N VAL A 74 2.062 11.158 20.650 1.00 0.00 N ATOM 1198 CA VAL A 74 2.518 10.077 19.748 1.00 0.00 C ATOM 1199 C VAL A 74 1.554 8.876 19.800 1.00 0.00 C ATOM 1200 O VAL A 74 1.229 8.298 18.765 1.00 0.00 O ATOM 1201 CB VAL A 74 3.989 9.691 19.941 1.00 0.00 C ATOM 1202 CG1 VAL A 74 4.252 9.176 21.339 1.00 0.00 C ATOM 1203 CG2 VAL A 74 4.455 8.655 18.913 1.00 0.00 C ATOM 0 H VAL A 74 2.709 11.377 21.407 1.00 0.00 H new ATOM 0 HA VAL A 74 2.484 10.474 18.733 1.00 0.00 H new ATOM 0 HB VAL A 74 4.564 10.604 19.789 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.305 8.913 21.438 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.002 9.950 22.065 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.639 8.294 21.523 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.503 8.413 19.090 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.853 7.751 19.008 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.341 9.063 17.908 1.00 0.00 H new ATOM 1213 N LYS A 75 1.015 8.537 20.983 1.00 0.00 N ATOM 1214 CA LYS A 75 -0.002 7.480 21.167 1.00 0.00 C ATOM 1215 C LYS A 75 -1.327 7.760 20.457 1.00 0.00 C ATOM 1216 O LYS A 75 -1.903 6.836 19.886 1.00 0.00 O ATOM 1217 CB LYS A 75 -0.224 7.218 22.665 1.00 0.00 C ATOM 1218 CG LYS A 75 0.935 6.428 23.298 1.00 0.00 C ATOM 1219 CD LYS A 75 1.153 5.010 22.738 1.00 0.00 C ATOM 1220 CE LYS A 75 -0.149 4.198 22.679 1.00 0.00 C ATOM 1221 NZ LYS A 75 0.107 2.756 22.419 1.00 0.00 N ATOM 0 H LYS A 75 1.276 8.996 21.856 1.00 0.00 H new ATOM 0 HA LYS A 75 0.396 6.584 20.692 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.339 8.169 23.185 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.154 6.666 22.801 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.855 6.998 23.166 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.758 6.353 24.371 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.581 5.079 21.738 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.878 4.484 23.359 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.688 4.307 23.620 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.792 4.599 21.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.797 2.243 22.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.598 2.649 21.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.699 2.366 23.180 1.00 0.00 H new ATOM 1235 N GLN A 76 -1.768 9.014 20.392 1.00 0.00 N ATOM 1236 CA GLN A 76 -2.886 9.437 19.539 1.00 0.00 C ATOM 1237 C GLN A 76 -2.641 9.106 18.052 1.00 0.00 C ATOM 1238 O GLN A 76 -3.561 8.679 17.352 1.00 0.00 O ATOM 1239 CB GLN A 76 -3.151 10.934 19.775 1.00 0.00 C ATOM 1240 CG GLN A 76 -4.380 11.450 19.016 1.00 0.00 C ATOM 1241 CD GLN A 76 -4.775 12.872 19.426 1.00 0.00 C ATOM 1242 OE1 GLN A 76 -3.964 13.702 19.822 1.00 0.00 O ATOM 1243 NE2 GLN A 76 -6.045 13.216 19.353 1.00 0.00 N ATOM 0 H GLN A 76 -1.358 9.775 20.933 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.779 8.875 19.813 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.289 11.109 20.842 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.275 11.506 19.469 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.176 11.429 17.945 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.220 10.779 19.194 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.738 12.542 19.026 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.335 14.156 19.623 1.00 0.00 H new ATOM 1252 N ALA A 77 -1.396 9.215 17.573 1.00 0.00 N ATOM 1253 CA ALA A 77 -1.036 8.766 16.221 1.00 0.00 C ATOM 1254 C ALA A 77 -0.851 7.244 16.130 1.00 0.00 C ATOM 1255 O ALA A 77 -0.955 6.679 15.047 1.00 0.00 O ATOM 1256 CB ALA A 77 0.208 9.502 15.729 1.00 0.00 C ATOM 0 H ALA A 77 -0.619 9.611 18.102 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.873 9.013 15.568 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.461 9.158 14.726 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.011 10.574 15.706 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.041 9.300 16.403 1.00 0.00 H new ATOM 1262 N LYS A 78 -0.625 6.547 17.247 1.00 0.00 N ATOM 1263 CA LYS A 78 -0.584 5.077 17.279 1.00 0.00 C ATOM 1264 C LYS A 78 -1.979 4.445 17.177 1.00 0.00 C ATOM 1265 O LYS A 78 -2.139 3.407 16.540 1.00 0.00 O ATOM 1266 CB LYS A 78 0.185 4.589 18.507 1.00 0.00 C ATOM 1267 CG LYS A 78 0.911 3.260 18.241 1.00 0.00 C ATOM 1268 CD LYS A 78 2.061 3.283 17.211 1.00 0.00 C ATOM 1269 CE LYS A 78 2.959 4.527 17.303 1.00 0.00 C ATOM 1270 NZ LYS A 78 4.228 4.365 16.539 1.00 0.00 N ATOM 0 H LYS A 78 -0.465 6.983 18.155 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.046 4.744 16.392 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.911 5.346 18.804 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.505 4.464 19.341 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.311 2.897 19.188 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.172 2.531 17.908 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.675 2.393 17.348 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.638 3.227 16.208 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.417 5.393 16.923 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.190 4.729 18.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.885 5.131 16.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.660 3.448 16.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.027 4.402 15.519 1.00 0.00 H new ATOM 1284 N ALA A 79 -3.003 5.109 17.714 1.00 0.00 N ATOM 1285 CA ALA A 79 -4.401 4.813 17.387 1.00 0.00 C ATOM 1286 C ALA A 79 -4.691 4.983 15.879 1.00 0.00 C ATOM 1287 O ALA A 79 -5.458 4.215 15.297 1.00 0.00 O ATOM 1288 CB ALA A 79 -5.314 5.687 18.255 1.00 0.00 C ATOM 0 H ALA A 79 -2.889 5.867 18.387 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.604 3.765 17.609 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.356 5.473 18.018 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.130 5.472 19.308 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.106 6.739 18.058 1.00 0.00 H new ATOM 1294 N GLU A 80 -4.036 5.949 15.223 1.00 0.00 N ATOM 1295 CA GLU A 80 -4.067 6.086 13.757 1.00 0.00 C ATOM 1296 C GLU A 80 -3.332 4.931 13.057 1.00 0.00 C ATOM 1297 O GLU A 80 -3.877 4.323 12.135 1.00 0.00 O ATOM 1298 CB GLU A 80 -3.479 7.439 13.322 1.00 0.00 C ATOM 1299 CG GLU A 80 -4.088 7.955 12.015 1.00 0.00 C ATOM 1300 CD GLU A 80 -5.548 8.408 12.199 1.00 0.00 C ATOM 1301 OE1 GLU A 80 -5.786 9.571 12.603 1.00 0.00 O ATOM 1302 OE2 GLU A 80 -6.466 7.600 11.919 1.00 0.00 O ATOM 0 H GLU A 80 -3.470 6.657 15.690 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.113 6.044 13.452 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.645 8.173 14.110 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.400 7.340 13.201 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.494 8.789 11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.044 7.170 11.260 1.00 0.00 H new ATOM 1309 N VAL A 81 -2.127 4.575 13.528 1.00 0.00 N ATOM 1310 CA VAL A 81 -1.354 3.418 13.035 1.00 0.00 C ATOM 1311 C VAL A 81 -2.210 2.153 13.041 1.00 0.00 C ATOM 1312 O VAL A 81 -2.273 1.446 12.038 1.00 0.00 O ATOM 1313 CB VAL A 81 -0.059 3.235 13.859 1.00 0.00 C ATOM 1314 CG1 VAL A 81 0.542 1.820 13.865 1.00 0.00 C ATOM 1315 CG2 VAL A 81 0.995 4.277 13.455 1.00 0.00 C ATOM 0 H VAL A 81 -1.653 5.088 14.272 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.062 3.611 12.003 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.371 3.396 14.891 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.446 1.811 14.474 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.182 1.119 14.280 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.789 1.525 12.845 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.898 4.130 14.047 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.232 4.163 12.397 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.604 5.279 13.633 1.00 0.00 H new ATOM 1325 N GLU A 82 -2.927 1.904 14.137 1.00 0.00 N ATOM 1326 CA GLU A 82 -3.851 0.774 14.272 1.00 0.00 C ATOM 1327 C GLU A 82 -4.977 0.770 13.218 1.00 0.00 C ATOM 1328 O GLU A 82 -5.310 -0.296 12.697 1.00 0.00 O ATOM 1329 CB GLU A 82 -4.411 0.757 15.704 1.00 0.00 C ATOM 1330 CG GLU A 82 -5.199 -0.521 16.019 1.00 0.00 C ATOM 1331 CD GLU A 82 -5.625 -0.557 17.499 1.00 0.00 C ATOM 1332 OE1 GLU A 82 -6.717 -0.038 17.836 1.00 0.00 O ATOM 1333 OE2 GLU A 82 -4.876 -1.116 18.338 1.00 0.00 O ATOM 0 H GLU A 82 -2.882 2.490 14.970 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.290 -0.141 14.084 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.588 0.855 16.412 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.059 1.622 15.846 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.082 -0.575 15.382 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.588 -1.394 15.792 1.00 0.00 H new ATOM 1340 N SER A 83 -5.546 1.930 12.855 1.00 0.00 N ATOM 1341 CA SER A 83 -6.639 2.028 11.877 1.00 0.00 C ATOM 1342 C SER A 83 -6.122 1.699 10.473 1.00 0.00 C ATOM 1343 O SER A 83 -6.727 0.925 9.724 1.00 0.00 O ATOM 1344 CB SER A 83 -7.228 3.447 11.942 1.00 0.00 C ATOM 1345 OG SER A 83 -8.161 3.708 10.904 1.00 0.00 O ATOM 0 H SER A 83 -5.258 2.832 13.235 1.00 0.00 H new ATOM 0 HA SER A 83 -7.423 1.308 12.112 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.717 3.588 12.906 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.418 4.174 11.886 1.00 0.00 H new ATOM 0 HG SER A 83 -8.621 4.555 11.083 1.00 0.00 H new ATOM 1351 N LYS A 84 -4.962 2.268 10.131 1.00 0.00 N ATOM 1352 CA LYS A 84 -4.374 2.205 8.788 1.00 0.00 C ATOM 1353 C LYS A 84 -3.704 0.853 8.525 1.00 0.00 C ATOM 1354 O LYS A 84 -3.809 0.327 7.416 1.00 0.00 O ATOM 1355 CB LYS A 84 -3.459 3.430 8.592 1.00 0.00 C ATOM 1356 CG LYS A 84 -4.249 4.707 8.233 1.00 0.00 C ATOM 1357 CD LYS A 84 -5.439 5.047 9.145 1.00 0.00 C ATOM 1358 CE LYS A 84 -6.167 6.323 8.743 1.00 0.00 C ATOM 1359 NZ LYS A 84 -7.389 6.498 9.569 1.00 0.00 N ATOM 0 H LYS A 84 -4.393 2.796 10.793 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.152 2.261 8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.889 3.604 9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.738 3.218 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.559 5.551 8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.617 4.607 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.145 4.216 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.083 5.149 10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.508 7.182 8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.436 6.280 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.939 7.304 9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.967 5.635 9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.118 6.678 10.557 1.00 0.00 H new ATOM 1373 N LYS A 85 -3.120 0.232 9.558 1.00 0.00 N ATOM 1374 CA LYS A 85 -2.683 -1.173 9.545 1.00 0.00 C ATOM 1375 C LYS A 85 -3.872 -2.107 9.324 1.00 0.00 C ATOM 1376 O LYS A 85 -3.820 -2.944 8.425 1.00 0.00 O ATOM 1377 CB LYS A 85 -1.941 -1.496 10.857 1.00 0.00 C ATOM 1378 CG LYS A 85 -1.394 -2.934 10.946 1.00 0.00 C ATOM 1379 CD LYS A 85 -0.256 -3.256 9.963 1.00 0.00 C ATOM 1380 CE LYS A 85 1.025 -2.489 10.320 1.00 0.00 C ATOM 1381 NZ LYS A 85 2.137 -2.826 9.397 1.00 0.00 N ATOM 0 H LYS A 85 -2.934 0.700 10.445 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.994 -1.329 8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.112 -0.798 10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.619 -1.326 11.694 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.038 -3.110 11.961 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.214 -3.631 10.771 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.056 -4.327 9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.565 -3.000 8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.831 -1.417 10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.317 -2.723 11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.046 -2.625 9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.090 -3.835 9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.056 -2.254 8.532 1.00 0.00 H new ATOM 1395 N ALA A 86 -4.947 -1.945 10.102 1.00 0.00 N ATOM 1396 CA ALA A 86 -6.148 -2.769 9.991 1.00 0.00 C ATOM 1397 C ALA A 86 -6.745 -2.750 8.574 1.00 0.00 C ATOM 1398 O ALA A 86 -6.980 -3.819 8.015 1.00 0.00 O ATOM 1399 CB ALA A 86 -7.171 -2.350 11.053 1.00 0.00 C ATOM 0 H ALA A 86 -5.006 -1.233 10.830 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.864 -3.805 10.177 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.063 -2.969 10.963 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.739 -2.478 12.045 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.439 -1.304 10.907 1.00 0.00 H new ATOM 1405 N GLU A 87 -6.959 -1.580 7.958 1.00 0.00 N ATOM 1406 CA GLU A 87 -7.508 -1.519 6.591 1.00 0.00 C ATOM 1407 C GLU A 87 -6.539 -2.061 5.518 1.00 0.00 C ATOM 1408 O GLU A 87 -6.974 -2.788 4.624 1.00 0.00 O ATOM 1409 CB GLU A 87 -8.067 -0.124 6.263 1.00 0.00 C ATOM 1410 CG GLU A 87 -7.053 0.857 5.671 1.00 0.00 C ATOM 1411 CD GLU A 87 -7.634 2.284 5.607 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -8.569 2.528 4.804 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -7.174 3.169 6.366 1.00 0.00 O ATOM 0 H GLU A 87 -6.764 -0.670 8.376 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.355 -2.204 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.893 -0.236 5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.479 0.309 7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.146 0.857 6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.769 0.531 4.670 1.00 0.00 H new ATOM 1420 N ALA A 88 -5.228 -1.796 5.628 1.00 0.00 N ATOM 1421 CA ALA A 88 -4.210 -2.390 4.752 1.00 0.00 C ATOM 1422 C ALA A 88 -4.279 -3.924 4.779 1.00 0.00 C ATOM 1423 O ALA A 88 -4.352 -4.594 3.750 1.00 0.00 O ATOM 1424 CB ALA A 88 -2.817 -1.923 5.206 1.00 0.00 C ATOM 0 H ALA A 88 -4.845 -1.162 6.329 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.399 -2.063 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.057 -2.361 4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.761 -0.836 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.644 -2.240 6.234 1.00 0.00 H new ATOM 1430 N THR A 89 -4.283 -4.474 5.990 1.00 0.00 N ATOM 1431 CA THR A 89 -4.316 -5.918 6.248 1.00 0.00 C ATOM 1432 C THR A 89 -5.683 -6.547 5.910 1.00 0.00 C ATOM 1433 O THR A 89 -5.746 -7.685 5.440 1.00 0.00 O ATOM 1434 CB THR A 89 -3.852 -6.164 7.690 1.00 0.00 C ATOM 1435 OG1 THR A 89 -2.544 -5.623 7.830 1.00 0.00 O ATOM 1436 CG2 THR A 89 -3.764 -7.644 8.059 1.00 0.00 C ATOM 0 H THR A 89 -4.263 -3.917 6.844 1.00 0.00 H new ATOM 0 HA THR A 89 -3.625 -6.430 5.578 1.00 0.00 H new ATOM 0 HB THR A 89 -4.588 -5.697 8.344 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.606 -4.669 8.045 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.430 -7.742 9.092 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.746 -8.105 7.950 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.054 -8.142 7.399 1.00 0.00 H new ATOM 1444 N ARG A 90 -6.790 -5.799 6.029 1.00 0.00 N ATOM 1445 CA ARG A 90 -8.116 -6.183 5.507 1.00 0.00 C ATOM 1446 C ARG A 90 -8.129 -6.323 3.987 1.00 0.00 C ATOM 1447 O ARG A 90 -8.705 -7.284 3.482 1.00 0.00 O ATOM 1448 CB ARG A 90 -9.186 -5.192 5.994 1.00 0.00 C ATOM 1449 CG ARG A 90 -10.596 -5.604 5.549 1.00 0.00 C ATOM 1450 CD ARG A 90 -11.661 -4.739 6.232 1.00 0.00 C ATOM 1451 NE ARG A 90 -13.020 -5.101 5.783 1.00 0.00 N ATOM 1452 CZ ARG A 90 -14.154 -4.552 6.184 1.00 0.00 C ATOM 1453 NH1 ARG A 90 -14.189 -3.592 7.066 1.00 0.00 N ATOM 1454 NH2 ARG A 90 -15.292 -4.962 5.700 1.00 0.00 N ATOM 0 H ARG A 90 -6.792 -4.894 6.499 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.352 -7.171 5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.153 -5.128 7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.961 -4.197 5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.683 -5.507 4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.765 -6.654 5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.590 -4.858 7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.472 -3.688 6.014 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.091 -5.850 5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.322 -3.240 7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.084 -3.193 7.351 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.312 -5.711 5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.163 -4.534 6.014 1.00 0.00 H new ATOM 1468 N LEU A 91 -7.468 -5.441 3.237 1.00 0.00 N ATOM 1469 CA LEU A 91 -7.288 -5.679 1.799 1.00 0.00 C ATOM 1470 C LEU A 91 -6.361 -6.868 1.503 1.00 0.00 C ATOM 1471 O LEU A 91 -6.538 -7.523 0.481 1.00 0.00 O ATOM 1472 CB LEU A 91 -6.763 -4.446 1.079 1.00 0.00 C ATOM 1473 CG LEU A 91 -7.761 -3.419 0.574 1.00 0.00 C ATOM 1474 CD1 LEU A 91 -8.798 -2.997 1.599 1.00 0.00 C ATOM 1475 CD2 LEU A 91 -6.968 -2.193 0.183 1.00 0.00 C ATOM 0 H LEU A 91 -7.057 -4.576 3.586 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.282 -5.918 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.076 -3.936 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.177 -4.786 0.225 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.310 -3.873 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.470 -2.262 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.371 -3.868 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.298 -2.557 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.646 -1.424 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.431 -1.815 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.255 -2.455 -0.598 1.00 0.00 H new ATOM 1487 N GLU A 92 -5.425 -7.232 2.380 1.00 0.00 N ATOM 1488 CA GLU A 92 -4.714 -8.518 2.234 1.00 0.00 C ATOM 1489 C GLU A 92 -5.693 -9.715 2.241 1.00 0.00 C ATOM 1490 O GLU A 92 -5.437 -10.748 1.615 1.00 0.00 O ATOM 1491 CB GLU A 92 -3.603 -8.683 3.288 1.00 0.00 C ATOM 1492 CG GLU A 92 -2.211 -8.652 2.652 1.00 0.00 C ATOM 1493 CD GLU A 92 -1.119 -8.966 3.692 1.00 0.00 C ATOM 1494 OE1 GLU A 92 -0.817 -10.164 3.917 1.00 0.00 O ATOM 1495 OE2 GLU A 92 -0.544 -8.021 4.285 1.00 0.00 O ATOM 0 H GLU A 92 -5.140 -6.674 3.185 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.227 -8.505 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.683 -7.887 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.740 -9.626 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.163 -9.377 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.029 -7.670 2.215 1.00 0.00 H new ATOM 1502 N LYS A 93 -6.866 -9.542 2.870 1.00 0.00 N ATOM 1503 CA LYS A 93 -8.004 -10.478 2.769 1.00 0.00 C ATOM 1504 C LYS A 93 -8.751 -10.361 1.428 1.00 0.00 C ATOM 1505 O LYS A 93 -9.182 -11.377 0.889 1.00 0.00 O ATOM 1506 CB LYS A 93 -8.896 -10.378 4.032 1.00 0.00 C ATOM 1507 CG LYS A 93 -10.407 -10.193 3.787 1.00 0.00 C ATOM 1508 CD LYS A 93 -11.213 -10.055 5.088 1.00 0.00 C ATOM 1509 CE LYS A 93 -11.200 -11.344 5.922 1.00 0.00 C ATOM 1510 NZ LYS A 93 -12.044 -11.218 7.140 1.00 0.00 N ATOM 0 H LYS A 93 -7.056 -8.740 3.471 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.621 -11.498 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.753 -11.282 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.542 -9.542 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -10.564 -9.306 3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.785 -11.044 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -10.804 -9.237 5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.243 -9.791 4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -11.559 -12.175 5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -10.176 -11.580 6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.011 -12.107 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.686 -10.441 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -13.026 -11.017 6.863 1.00 0.00 H new ATOM 1524 N ILE A 94 -8.856 -9.166 0.835 1.00 0.00 N ATOM 1525 CA ILE A 94 -9.405 -8.990 -0.528 1.00 0.00 C ATOM 1526 C ILE A 94 -8.494 -9.599 -1.604 1.00 0.00 C ATOM 1527 O ILE A 94 -8.974 -10.253 -2.524 1.00 0.00 O ATOM 1528 CB ILE A 94 -9.901 -7.541 -0.774 1.00 0.00 C ATOM 1529 CG1 ILE A 94 -11.298 -7.534 -1.436 1.00 0.00 C ATOM 1530 CG2 ILE A 94 -8.935 -6.637 -1.548 1.00 0.00 C ATOM 1531 CD1 ILE A 94 -11.373 -7.887 -2.929 1.00 0.00 C ATOM 0 H ILE A 94 -8.566 -8.294 1.278 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.316 -9.582 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 94 -9.961 -7.104 0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -11.932 -8.234 -0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.730 -6.542 -1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.377 -5.648 -1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.997 -6.552 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.742 -7.067 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -12.410 -7.843 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.778 -7.175 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.984 -8.893 -3.085 1.00 0.00 H new ATOM 1543 N LYS A 95 -7.171 -9.538 -1.442 1.00 0.00 N ATOM 1544 CA LYS A 95 -6.217 -10.323 -2.250 1.00 0.00 C ATOM 1545 C LYS A 95 -6.448 -11.832 -2.185 1.00 0.00 C ATOM 1546 O LYS A 95 -6.299 -12.511 -3.199 1.00 0.00 O ATOM 1547 CB LYS A 95 -4.787 -9.965 -1.831 1.00 0.00 C ATOM 1548 CG LYS A 95 -4.287 -8.765 -2.640 1.00 0.00 C ATOM 1549 CD LYS A 95 -3.939 -9.067 -4.111 1.00 0.00 C ATOM 1550 CE LYS A 95 -2.977 -10.256 -4.255 1.00 0.00 C ATOM 1551 NZ LYS A 95 -2.443 -10.375 -5.636 1.00 0.00 N ATOM 0 H LYS A 95 -6.723 -8.942 -0.746 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.381 -10.054 -3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.759 -9.733 -0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.129 -10.819 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.050 -7.987 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.402 -8.359 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.856 -9.276 -4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.490 -8.183 -4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.150 -10.140 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.495 -11.176 -3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.611 -10.999 -5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.174 -10.775 -6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.169 -9.434 -5.985 1.00 0.00 H new ATOM 1565 N THR A 96 -6.863 -12.351 -1.032 1.00 0.00 N ATOM 1566 CA THR A 96 -7.272 -13.763 -0.890 1.00 0.00 C ATOM 1567 C THR A 96 -8.544 -14.068 -1.699 1.00 0.00 C ATOM 1568 O THR A 96 -8.646 -15.141 -2.294 1.00 0.00 O ATOM 1569 CB THR A 96 -7.432 -14.168 0.587 1.00 0.00 C ATOM 1570 OG1 THR A 96 -6.235 -13.900 1.294 1.00 0.00 O ATOM 1571 CG2 THR A 96 -7.701 -15.663 0.770 1.00 0.00 C ATOM 0 H THR A 96 -6.928 -11.814 -0.167 1.00 0.00 H new ATOM 0 HA THR A 96 -6.468 -14.371 -1.304 1.00 0.00 H new ATOM 0 HB THR A 96 -8.280 -13.593 0.960 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.087 -12.932 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.804 -15.887 1.832 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.621 -15.933 0.251 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.870 -16.235 0.358 1.00 0.00 H new ATOM 1579 N ASP A 97 -9.481 -13.116 -1.809 1.00 0.00 N ATOM 1580 CA ASP A 97 -10.640 -13.241 -2.710 1.00 0.00 C ATOM 1581 C ASP A 97 -10.195 -13.246 -4.181 1.00 0.00 C ATOM 1582 O ASP A 97 -10.658 -14.085 -4.954 1.00 0.00 O ATOM 1583 CB ASP A 97 -11.682 -12.142 -2.434 1.00 0.00 C ATOM 1584 CG ASP A 97 -12.761 -12.067 -3.530 1.00 0.00 C ATOM 1585 OD1 ASP A 97 -12.564 -11.319 -4.520 1.00 0.00 O ATOM 1586 OD2 ASP A 97 -13.806 -12.747 -3.395 1.00 0.00 O ATOM 0 H ASP A 97 -9.460 -12.243 -1.281 1.00 0.00 H new ATOM 0 HA ASP A 97 -11.121 -14.199 -2.510 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.158 -12.330 -1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.178 -11.178 -2.358 1.00 0.00 H new ATOM 1591 N ARG A 98 -9.260 -12.364 -4.564 1.00 0.00 N ATOM 1592 CA ARG A 98 -8.717 -12.319 -5.934 1.00 0.00 C ATOM 1593 C ARG A 98 -8.037 -13.631 -6.325 1.00 0.00 C ATOM 1594 O ARG A 98 -8.362 -14.188 -7.370 1.00 0.00 O ATOM 1595 CB ARG A 98 -7.781 -11.115 -6.149 1.00 0.00 C ATOM 1596 CG ARG A 98 -8.363 -9.732 -5.795 1.00 0.00 C ATOM 1597 CD ARG A 98 -9.850 -9.519 -6.121 1.00 0.00 C ATOM 1598 NE ARG A 98 -10.153 -9.790 -7.539 1.00 0.00 N ATOM 1599 CZ ARG A 98 -11.214 -10.408 -8.026 1.00 0.00 C ATOM 1600 NH1 ARG A 98 -12.169 -10.900 -7.286 1.00 0.00 N ATOM 1601 NH2 ARG A 98 -11.320 -10.554 -9.315 1.00 0.00 N ATOM 0 H ARG A 98 -8.859 -11.665 -3.939 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.570 -12.186 -6.599 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.880 -11.270 -5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.475 -11.101 -7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.218 -9.562 -4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.785 -8.972 -6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.455 -10.170 -5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.130 -8.493 -5.881 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.467 -9.464 -8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.121 -10.818 -6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.964 -11.367 -7.723 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.591 -10.194 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.132 -11.029 -9.709 1.00 0.00 H new ATOM 1615 N LYS A 99 -7.172 -14.176 -5.461 1.00 0.00 N ATOM 1616 CA LYS A 99 -6.547 -15.500 -5.625 1.00 0.00 C ATOM 1617 C LYS A 99 -7.589 -16.608 -5.835 1.00 0.00 C ATOM 1618 O LYS A 99 -7.484 -17.371 -6.797 1.00 0.00 O ATOM 1619 CB LYS A 99 -5.648 -15.788 -4.410 1.00 0.00 C ATOM 1620 CG LYS A 99 -4.347 -14.966 -4.446 1.00 0.00 C ATOM 1621 CD LYS A 99 -3.551 -15.047 -3.131 1.00 0.00 C ATOM 1622 CE LYS A 99 -3.113 -16.465 -2.726 1.00 0.00 C ATOM 1623 NZ LYS A 99 -2.101 -17.037 -3.656 1.00 0.00 N ATOM 0 H LYS A 99 -6.879 -13.700 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.935 -15.488 -6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.194 -15.562 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.405 -16.850 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.722 -15.320 -5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.587 -13.924 -4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.664 -14.420 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.158 -14.627 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.701 -16.440 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.986 -17.117 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.839 -17.992 -3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.500 -17.087 -4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.256 -16.431 -3.664 1.00 0.00 H new ATOM 1637 N LYS A 100 -8.618 -16.672 -4.979 1.00 0.00 N ATOM 1638 CA LYS A 100 -9.734 -17.631 -5.086 1.00 0.00 C ATOM 1639 C LYS A 100 -10.531 -17.486 -6.391 1.00 0.00 C ATOM 1640 O LYS A 100 -10.836 -18.487 -7.034 1.00 0.00 O ATOM 1641 CB LYS A 100 -10.618 -17.512 -3.827 1.00 0.00 C ATOM 1642 CG LYS A 100 -11.862 -18.418 -3.814 1.00 0.00 C ATOM 1643 CD LYS A 100 -11.561 -19.927 -3.901 1.00 0.00 C ATOM 1644 CE LYS A 100 -12.344 -20.557 -5.059 1.00 0.00 C ATOM 1645 NZ LYS A 100 -12.070 -22.006 -5.197 1.00 0.00 N ATOM 0 H LYS A 100 -8.703 -16.048 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.322 -18.639 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.010 -17.743 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.941 -16.476 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -12.425 -18.226 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -12.505 -18.141 -4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.492 -20.084 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.830 -20.414 -2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.411 -20.404 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.085 -20.050 -5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.621 -22.389 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.056 -22.152 -5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.341 -22.496 -4.320 1.00 0.00 H new ATOM 1812 N GLU A 111 -4.331 -19.037 -21.656 1.00 0.00 N ATOM 1813 CA GLU A 111 -3.317 -19.659 -22.509 1.00 0.00 C ATOM 1814 C GLU A 111 -3.415 -19.191 -23.971 1.00 0.00 C ATOM 1815 O GLU A 111 -2.386 -18.904 -24.579 1.00 0.00 O ATOM 1816 CB GLU A 111 -3.369 -21.194 -22.360 1.00 0.00 C ATOM 1817 CG GLU A 111 -4.678 -21.870 -22.808 1.00 0.00 C ATOM 1818 CD GLU A 111 -4.713 -23.382 -22.504 1.00 0.00 C ATOM 1819 OE1 GLU A 111 -3.675 -24.074 -22.640 1.00 0.00 O ATOM 1820 OE2 GLU A 111 -5.806 -23.900 -22.167 1.00 0.00 O ATOM 0 HA GLU A 111 -2.334 -19.329 -22.172 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.547 -21.623 -22.933 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.193 -21.444 -21.314 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.519 -21.386 -22.311 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.811 -21.718 -23.879 1.00 0.00 H new ATOM 1827 N GLU A 112 -4.631 -19.101 -24.533 1.00 0.00 N ATOM 1828 CA GLU A 112 -4.983 -18.766 -25.933 1.00 0.00 C ATOM 1829 C GLU A 112 -4.380 -19.681 -27.025 1.00 0.00 C ATOM 1830 O GLU A 112 -4.890 -19.749 -28.142 1.00 0.00 O ATOM 1831 CB GLU A 112 -4.738 -17.265 -26.185 1.00 0.00 C ATOM 1832 CG GLU A 112 -5.330 -16.771 -27.511 1.00 0.00 C ATOM 1833 CD GLU A 112 -5.368 -15.231 -27.562 1.00 0.00 C ATOM 1834 OE1 GLU A 112 -4.340 -14.603 -27.916 1.00 0.00 O ATOM 1835 OE2 GLU A 112 -6.429 -14.634 -27.255 1.00 0.00 O ATOM 0 H GLU A 112 -5.468 -19.274 -23.977 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.047 -18.977 -26.035 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.169 -16.690 -25.365 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.665 -17.072 -26.179 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.736 -17.151 -28.342 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.338 -17.167 -27.633 1.00 0.00 H new ATOM 1842 N ASP A 113 -3.336 -20.437 -26.698 1.00 0.00 N ATOM 1843 CA ASP A 113 -2.500 -21.242 -27.585 1.00 0.00 C ATOM 1844 C ASP A 113 -3.296 -22.177 -28.509 1.00 0.00 C ATOM 1845 O ASP A 113 -3.123 -22.168 -29.727 1.00 0.00 O ATOM 1846 CB ASP A 113 -1.519 -22.014 -26.692 1.00 0.00 C ATOM 1847 CG ASP A 113 -0.350 -22.593 -27.505 1.00 0.00 C ATOM 1848 OD1 ASP A 113 0.471 -21.802 -28.027 1.00 0.00 O ATOM 1849 OD2 ASP A 113 -0.248 -23.838 -27.617 1.00 0.00 O ATOM 0 H ASP A 113 -3.028 -20.509 -25.728 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.971 -20.585 -28.275 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.132 -21.351 -25.918 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.046 -22.822 -26.185 1.00 0.00 H new ATOM 1854 N LYS A 114 -4.230 -22.933 -27.928 1.00 0.00 N ATOM 1855 CA LYS A 114 -5.138 -23.851 -28.628 1.00 0.00 C ATOM 1856 C LYS A 114 -6.111 -23.151 -29.586 1.00 0.00 C ATOM 1857 O LYS A 114 -6.512 -23.737 -30.590 1.00 0.00 O ATOM 1858 CB LYS A 114 -5.859 -24.715 -27.580 1.00 0.00 C ATOM 1859 CG LYS A 114 -6.814 -23.937 -26.653 1.00 0.00 C ATOM 1860 CD LYS A 114 -7.198 -24.796 -25.442 1.00 0.00 C ATOM 1861 CE LYS A 114 -8.197 -24.058 -24.543 1.00 0.00 C ATOM 1862 NZ LYS A 114 -8.262 -24.685 -23.199 1.00 0.00 N ATOM 0 H LYS A 114 -4.382 -22.924 -26.919 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.543 -24.488 -29.283 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.426 -25.490 -28.095 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.111 -25.220 -26.968 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.336 -23.016 -26.318 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.710 -23.649 -27.202 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.633 -25.736 -25.781 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.304 -25.046 -24.870 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.903 -23.013 -24.447 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.185 -24.071 -25.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.116 -24.358 -22.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.295 -25.720 -23.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.420 -24.418 -22.650 1.00 0.00 H new ATOM 1876 N VAL A 115 -6.471 -21.897 -29.297 1.00 0.00 N ATOM 1877 CA VAL A 115 -7.361 -21.063 -30.122 1.00 0.00 C ATOM 1878 C VAL A 115 -6.599 -20.466 -31.305 1.00 0.00 C ATOM 1879 O VAL A 115 -7.032 -20.591 -32.452 1.00 0.00 O ATOM 1880 CB VAL A 115 -8.038 -19.952 -29.286 1.00 0.00 C ATOM 1881 CG1 VAL A 115 -9.115 -19.228 -30.101 1.00 0.00 C ATOM 1882 CG2 VAL A 115 -8.709 -20.511 -28.022 1.00 0.00 C ATOM 0 H VAL A 115 -6.144 -21.417 -28.459 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.150 -21.707 -30.510 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.243 -19.262 -29.003 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -9.575 -18.452 -29.489 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -8.661 -18.774 -30.982 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.877 -19.942 -30.413 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -9.172 -19.696 -27.465 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -9.472 -21.236 -28.305 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -7.960 -20.998 -27.397 1.00 0.00 H new ATOM 1892 N LYS A 116 -5.449 -19.833 -31.053 1.00 0.00 N ATOM 1893 CA LYS A 116 -4.624 -19.187 -32.084 1.00 0.00 C ATOM 1894 C LYS A 116 -3.942 -20.176 -33.042 1.00 0.00 C ATOM 1895 O LYS A 116 -3.826 -19.877 -34.229 1.00 0.00 O ATOM 1896 CB LYS A 116 -3.680 -18.163 -31.425 1.00 0.00 C ATOM 1897 CG LYS A 116 -2.557 -18.716 -30.535 1.00 0.00 C ATOM 1898 CD LYS A 116 -1.242 -18.956 -31.289 1.00 0.00 C ATOM 1899 CE LYS A 116 -0.197 -19.540 -30.333 1.00 0.00 C ATOM 1900 NZ LYS A 116 1.098 -19.776 -31.015 1.00 0.00 N ATOM 0 H LYS A 116 -5.058 -19.753 -30.114 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.281 -18.632 -32.754 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -3.223 -17.568 -32.215 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.285 -17.484 -30.824 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.376 -18.019 -29.717 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.887 -19.654 -30.088 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.409 -19.639 -32.122 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.878 -18.020 -31.712 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.048 -18.858 -29.496 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -0.567 -20.478 -29.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 1.765 -20.218 -30.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 0.952 -20.406 -31.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 1.487 -18.869 -31.344 1.00 0.00 H new ATOM 1914 N GLU A 117 -3.551 -21.365 -32.572 1.00 0.00 N ATOM 1915 CA GLU A 117 -3.064 -22.460 -33.435 1.00 0.00 C ATOM 1916 C GLU A 117 -4.194 -23.192 -34.184 1.00 0.00 C ATOM 1917 O GLU A 117 -3.963 -23.688 -35.289 1.00 0.00 O ATOM 1918 CB GLU A 117 -2.281 -23.499 -32.612 1.00 0.00 C ATOM 1919 CG GLU A 117 -0.935 -22.999 -32.066 1.00 0.00 C ATOM 1920 CD GLU A 117 0.071 -22.632 -33.173 1.00 0.00 C ATOM 1921 OE1 GLU A 117 0.357 -23.472 -34.060 1.00 0.00 O ATOM 1922 OE2 GLU A 117 0.607 -21.497 -33.141 1.00 0.00 O ATOM 0 H GLU A 117 -3.561 -21.601 -31.580 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.418 -21.984 -34.172 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -2.900 -23.822 -31.775 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.103 -24.376 -33.234 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.107 -22.126 -31.437 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -0.500 -23.769 -31.430 1.00 0.00 H new ATOM 1929 N LYS A 118 -5.395 -23.280 -33.581 1.00 0.00 N ATOM 1930 CA LYS A 118 -6.571 -24.062 -34.028 1.00 0.00 C ATOM 1931 C LYS A 118 -6.241 -25.372 -34.794 1.00 0.00 C ATOM 1932 O LYS A 118 -6.580 -25.493 -35.978 1.00 0.00 O ATOM 1933 CB LYS A 118 -7.594 -23.146 -34.728 1.00 0.00 C ATOM 1934 CG LYS A 118 -7.016 -22.256 -35.846 1.00 0.00 C ATOM 1935 CD LYS A 118 -8.091 -21.404 -36.539 1.00 0.00 C ATOM 1936 CE LYS A 118 -8.894 -20.493 -35.597 1.00 0.00 C ATOM 1937 NZ LYS A 118 -8.041 -19.515 -34.871 1.00 0.00 N ATOM 0 H LYS A 118 -5.585 -22.777 -32.714 1.00 0.00 H new ATOM 0 HA LYS A 118 -7.048 -24.450 -33.128 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -8.385 -23.766 -35.151 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.058 -22.505 -33.978 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.253 -21.600 -35.426 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -6.522 -22.885 -36.587 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -7.612 -20.786 -37.299 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -8.783 -22.068 -37.058 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -9.645 -19.954 -36.174 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -9.429 -21.108 -34.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -8.600 -18.667 -34.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -7.693 -19.945 -33.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -7.233 -19.248 -35.469 1.00 0.00 H new