USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 672 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 49 TYR OH : rot 161:sc= 0.317 USER MOD Set 1.2: A 70 GLN : amide:sc= 0.297 K(o=0.61,f=-1.1!) USER MOD Single : A 16 SER OG : rot -55:sc= 1.16 USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.18) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 1.19 (180deg=1.17) USER MOD Single : A 27 THR OG1 : rot -130:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-0.39) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.22) USER MOD Single : A 37 THR OG1 : rot -119:sc= 0.111 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0343) USER MOD Single : A 53 MET CE :methyl -118:sc= -1.84 (180deg=-9.66!) USER MOD Single : A 59 THR OG1 : rot -110:sc= 0.0957 USER MOD Single : A 66 SER OG : rot 170:sc= -0.962 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.145 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 83:sc= 0.244 USER MOD Single : A 79 LYS NZ :NH3+ -116:sc= -0.141 (180deg=-1.36) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.222) USER MOD Single : A 92 SER OG : rot 134:sc= 0.416 USER MOD Single : A 93 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.7) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.221 X(o=-0.22,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 9 9.656 7.478 3.861 1.00 0.00 N ATOM 129 CA ALA A 9 9.929 7.740 2.418 1.00 0.00 C ATOM 130 C ALA A 9 10.081 6.411 1.671 1.00 0.00 C ATOM 131 O ALA A 9 9.581 6.249 0.574 1.00 0.00 O ATOM 132 CB ALA A 9 11.238 8.535 2.388 1.00 0.00 C ATOM 0 HA ALA A 9 9.121 8.290 1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.501 8.764 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.112 9.464 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.033 7.944 2.843 1.00 0.00 H new ATOM 138 N VAL A 10 10.750 5.453 2.271 1.00 0.00 N ATOM 139 CA VAL A 10 10.912 4.123 1.608 1.00 0.00 C ATOM 140 C VAL A 10 9.545 3.440 1.520 1.00 0.00 C ATOM 141 O VAL A 10 9.192 2.867 0.507 1.00 0.00 O ATOM 142 CB VAL A 10 11.871 3.327 2.507 1.00 0.00 C ATOM 143 CG1 VAL A 10 12.101 1.935 1.912 1.00 0.00 C ATOM 144 CG2 VAL A 10 13.213 4.060 2.608 1.00 0.00 C ATOM 0 H VAL A 10 11.189 5.536 3.188 1.00 0.00 H new ATOM 0 HA VAL A 10 11.306 4.201 0.595 1.00 0.00 H new ATOM 0 HB VAL A 10 11.431 3.232 3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.781 1.374 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.150 1.407 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.536 2.032 0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.890 3.493 3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.649 4.159 1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.055 5.050 3.036 1.00 0.00 H new ATOM 154 N ALA A 11 8.765 3.521 2.570 1.00 0.00 N ATOM 155 CA ALA A 11 7.406 2.904 2.548 1.00 0.00 C ATOM 156 C ALA A 11 6.543 3.624 1.507 1.00 0.00 C ATOM 157 O ALA A 11 5.797 3.006 0.773 1.00 0.00 O ATOM 158 CB ALA A 11 6.843 3.106 3.957 1.00 0.00 C ATOM 0 H ALA A 11 9.013 3.989 3.442 1.00 0.00 H new ATOM 0 HA ALA A 11 7.428 1.847 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.843 2.676 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.492 2.614 4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.793 4.172 4.179 1.00 0.00 H new ATOM 164 N ALA A 12 6.663 4.932 1.429 1.00 0.00 N ATOM 165 CA ALA A 12 5.879 5.708 0.425 1.00 0.00 C ATOM 166 C ALA A 12 6.302 5.299 -0.989 1.00 0.00 C ATOM 167 O ALA A 12 5.481 5.174 -1.878 1.00 0.00 O ATOM 168 CB ALA A 12 6.234 7.175 0.683 1.00 0.00 C ATOM 0 H ALA A 12 7.274 5.492 2.023 1.00 0.00 H new ATOM 0 HA ALA A 12 4.807 5.531 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.694 7.809 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.955 7.443 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.306 7.319 0.551 1.00 0.00 H new ATOM 174 N ALA A 13 7.580 5.081 -1.198 1.00 0.00 N ATOM 175 CA ALA A 13 8.068 4.668 -2.547 1.00 0.00 C ATOM 176 C ALA A 13 7.459 3.315 -2.934 1.00 0.00 C ATOM 177 O ALA A 13 7.076 3.103 -4.069 1.00 0.00 O ATOM 178 CB ALA A 13 9.588 4.561 -2.415 1.00 0.00 C ATOM 0 H ALA A 13 8.306 5.173 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 13 7.784 5.379 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.016 4.260 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.997 5.528 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.836 3.818 -1.657 1.00 0.00 H new ATOM 184 N VAL A 14 7.352 2.404 -1.997 1.00 0.00 N ATOM 185 CA VAL A 14 6.747 1.076 -2.315 1.00 0.00 C ATOM 186 C VAL A 14 5.247 1.254 -2.577 1.00 0.00 C ATOM 187 O VAL A 14 4.687 0.651 -3.474 1.00 0.00 O ATOM 188 CB VAL A 14 6.992 0.197 -1.079 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.461 -1.216 -1.334 1.00 0.00 C ATOM 190 CG2 VAL A 14 8.495 0.121 -0.785 1.00 0.00 C ATOM 0 H VAL A 14 7.656 2.523 -1.031 1.00 0.00 H new ATOM 0 HA VAL A 14 7.182 0.621 -3.205 1.00 0.00 H new ATOM 0 HB VAL A 14 6.473 0.635 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.637 -1.835 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.391 -1.171 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.976 -1.649 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.663 -0.504 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.012 -0.311 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.880 1.123 -0.596 1.00 0.00 H new ATOM 200 N ALA A 15 4.598 2.098 -1.806 1.00 0.00 N ATOM 201 CA ALA A 15 3.142 2.340 -2.013 1.00 0.00 C ATOM 202 C ALA A 15 2.915 3.039 -3.360 1.00 0.00 C ATOM 203 O ALA A 15 1.976 2.734 -4.072 1.00 0.00 O ATOM 204 CB ALA A 15 2.711 3.243 -0.855 1.00 0.00 C ATOM 0 H ALA A 15 5.019 2.628 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 15 2.568 1.414 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.647 3.464 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.900 2.736 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.278 4.173 -0.888 1.00 0.00 H new ATOM 210 N SER A 16 3.775 3.966 -3.720 1.00 0.00 N ATOM 211 CA SER A 16 3.614 4.668 -5.028 1.00 0.00 C ATOM 212 C SER A 16 3.813 3.675 -6.183 1.00 0.00 C ATOM 213 O SER A 16 3.149 3.757 -7.199 1.00 0.00 O ATOM 214 CB SER A 16 4.689 5.763 -5.048 1.00 0.00 C ATOM 215 OG SER A 16 5.948 5.198 -5.393 1.00 0.00 O ATOM 0 H SER A 16 4.577 4.263 -3.164 1.00 0.00 H new ATOM 0 HA SER A 16 2.618 5.096 -5.146 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.419 6.537 -5.766 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.751 6.242 -4.071 1.00 0.00 H new ATOM 0 HG SER A 16 6.153 4.459 -4.782 1.00 0.00 H new ATOM 221 N LYS A 17 4.714 2.730 -6.026 1.00 0.00 N ATOM 222 CA LYS A 17 4.942 1.726 -7.108 1.00 0.00 C ATOM 223 C LYS A 17 3.689 0.856 -7.279 1.00 0.00 C ATOM 224 O LYS A 17 3.336 0.474 -8.380 1.00 0.00 O ATOM 225 CB LYS A 17 6.138 0.885 -6.647 1.00 0.00 C ATOM 226 CG LYS A 17 6.878 0.342 -7.872 1.00 0.00 C ATOM 227 CD LYS A 17 7.928 1.357 -8.328 1.00 0.00 C ATOM 228 CE LYS A 17 8.059 1.312 -9.854 1.00 0.00 C ATOM 229 NZ LYS A 17 9.395 1.909 -10.151 1.00 0.00 N ATOM 0 H LYS A 17 5.297 2.614 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 17 5.141 2.194 -8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.811 1.491 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.798 0.062 -6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.356 -0.607 -7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.172 0.146 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.643 2.359 -8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.889 1.135 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.994 0.289 -10.225 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.260 1.877 -10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.532 1.958 -11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.444 2.867 -9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.140 1.318 -9.730 1.00 0.00 H new ATOM 243 N ILE A 18 3.004 0.560 -6.197 1.00 0.00 N ATOM 244 CA ILE A 18 1.762 -0.261 -6.295 1.00 0.00 C ATOM 245 C ILE A 18 0.699 0.524 -7.075 1.00 0.00 C ATOM 246 O ILE A 18 0.073 0.004 -7.973 1.00 0.00 O ATOM 247 CB ILE A 18 1.315 -0.509 -4.845 1.00 0.00 C ATOM 248 CG1 ILE A 18 2.095 -1.700 -4.273 1.00 0.00 C ATOM 249 CG2 ILE A 18 -0.189 -0.815 -4.807 1.00 0.00 C ATOM 250 CD1 ILE A 18 1.526 -2.091 -2.904 1.00 0.00 C ATOM 0 H ILE A 18 3.255 0.853 -5.253 1.00 0.00 H new ATOM 0 HA ILE A 18 1.920 -1.204 -6.819 1.00 0.00 H new ATOM 0 HB ILE A 18 1.512 0.382 -4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.034 -2.547 -4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.150 -1.442 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.499 -0.990 -3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.743 0.031 -5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.395 -1.704 -5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.086 -2.937 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.610 -1.246 -2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.477 -2.368 -3.011 1.00 0.00 H new ATOM 262 N VAL A 19 0.504 1.777 -6.739 1.00 0.00 N ATOM 263 CA VAL A 19 -0.511 2.609 -7.461 1.00 0.00 C ATOM 264 C VAL A 19 -0.098 2.786 -8.931 1.00 0.00 C ATOM 265 O VAL A 19 -0.925 2.746 -9.822 1.00 0.00 O ATOM 266 CB VAL A 19 -0.525 3.959 -6.728 1.00 0.00 C ATOM 267 CG1 VAL A 19 -1.238 5.012 -7.583 1.00 0.00 C ATOM 268 CG2 VAL A 19 -1.266 3.811 -5.395 1.00 0.00 C ATOM 0 H VAL A 19 1.005 2.261 -5.994 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.498 2.147 -7.464 1.00 0.00 H new ATOM 0 HB VAL A 19 0.503 4.274 -6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.243 5.966 -7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.715 5.125 -8.532 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.264 4.695 -7.770 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.275 4.769 -4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.291 3.490 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.760 3.069 -4.778 1.00 0.00 H new ATOM 278 N GLY A 20 1.174 2.975 -9.185 1.00 0.00 N ATOM 279 CA GLY A 20 1.646 3.149 -10.593 1.00 0.00 C ATOM 280 C GLY A 20 1.494 1.830 -11.369 1.00 0.00 C ATOM 281 O GLY A 20 1.382 1.831 -12.580 1.00 0.00 O ATOM 0 H GLY A 20 1.906 3.016 -8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.072 3.936 -11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.689 3.465 -10.599 1.00 0.00 H new ATOM 285 N LEU A 21 1.494 0.709 -10.685 1.00 0.00 N ATOM 286 CA LEU A 21 1.356 -0.607 -11.382 1.00 0.00 C ATOM 287 C LEU A 21 0.116 -1.370 -10.881 1.00 0.00 C ATOM 288 O LEU A 21 0.099 -2.587 -10.849 1.00 0.00 O ATOM 289 CB LEU A 21 2.636 -1.366 -11.021 1.00 0.00 C ATOM 290 CG LEU A 21 2.898 -2.463 -12.057 1.00 0.00 C ATOM 291 CD1 LEU A 21 3.779 -1.907 -13.180 1.00 0.00 C ATOM 292 CD2 LEU A 21 3.611 -3.639 -11.384 1.00 0.00 C ATOM 0 H LEU A 21 1.584 0.651 -9.671 1.00 0.00 H new ATOM 0 HA LEU A 21 1.227 -0.490 -12.458 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.480 -0.677 -10.985 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.541 -1.806 -10.028 1.00 0.00 H new ATOM 0 HG LEU A 21 1.950 -2.802 -12.474 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.965 -2.688 -13.917 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.272 -1.069 -13.659 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.727 -1.567 -12.764 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.798 -4.421 -12.120 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.559 -3.299 -10.967 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.984 -4.036 -10.585 1.00 0.00 H new ATOM 304 N TRP A 22 -0.922 -0.670 -10.492 1.00 0.00 N ATOM 305 CA TRP A 22 -2.152 -1.361 -9.996 1.00 0.00 C ATOM 306 C TRP A 22 -3.152 -1.567 -11.143 1.00 0.00 C ATOM 307 O TRP A 22 -3.391 -0.680 -11.939 1.00 0.00 O ATOM 308 CB TRP A 22 -2.735 -0.428 -8.925 1.00 0.00 C ATOM 309 CG TRP A 22 -4.049 -0.959 -8.435 1.00 0.00 C ATOM 310 CD1 TRP A 22 -4.316 -2.259 -8.162 1.00 0.00 C ATOM 311 CD2 TRP A 22 -5.276 -0.224 -8.151 1.00 0.00 C ATOM 312 NE1 TRP A 22 -5.628 -2.367 -7.740 1.00 0.00 N ATOM 313 CE2 TRP A 22 -6.260 -1.141 -7.712 1.00 0.00 C ATOM 314 CE3 TRP A 22 -5.626 1.136 -8.234 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -7.546 -0.724 -7.368 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -6.919 1.558 -7.887 1.00 0.00 C ATOM 317 CH2 TRP A 22 -7.878 0.630 -7.455 1.00 0.00 C ATOM 0 H TRP A 22 -0.970 0.349 -10.497 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.932 -2.350 -9.593 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.038 -0.338 -8.092 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.870 0.572 -9.338 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.618 -3.077 -8.258 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.075 -3.247 -7.481 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.896 1.859 -8.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.280 -1.443 -7.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.177 2.605 -7.953 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.871 0.962 -7.190 1.00 0.00 H new ATOM 328 N ARG A 23 -3.746 -2.730 -11.214 1.00 0.00 N ATOM 329 CA ARG A 23 -4.748 -3.011 -12.285 1.00 0.00 C ATOM 330 C ARG A 23 -6.161 -2.811 -11.721 1.00 0.00 C ATOM 331 O ARG A 23 -6.325 -2.262 -10.647 1.00 0.00 O ATOM 332 CB ARG A 23 -4.502 -4.478 -12.669 1.00 0.00 C ATOM 333 CG ARG A 23 -4.695 -4.657 -14.178 1.00 0.00 C ATOM 334 CD ARG A 23 -3.410 -4.251 -14.908 1.00 0.00 C ATOM 335 NE ARG A 23 -3.655 -4.596 -16.338 1.00 0.00 N ATOM 336 CZ ARG A 23 -2.993 -5.572 -16.899 1.00 0.00 C ATOM 337 NH1 ARG A 23 -3.441 -6.797 -16.814 1.00 0.00 N ATOM 338 NH2 ARG A 23 -1.882 -5.321 -17.542 1.00 0.00 N ATOM 0 H ARG A 23 -3.578 -3.503 -10.570 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.655 -2.353 -13.149 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.492 -4.774 -12.384 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.189 -5.126 -12.125 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.942 -5.694 -14.404 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.530 -4.048 -14.524 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.207 -3.187 -14.788 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.546 -4.787 -14.515 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.341 -4.069 -16.879 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.307 -6.990 -16.310 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.925 -7.560 -17.252 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.534 -4.364 -17.605 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.364 -6.082 -17.981 1.00 0.00 H new ATOM 352 N ASN A 24 -7.181 -3.242 -12.429 1.00 0.00 N ATOM 353 CA ASN A 24 -8.583 -3.071 -11.917 1.00 0.00 C ATOM 354 C ASN A 24 -8.667 -3.504 -10.445 1.00 0.00 C ATOM 355 O ASN A 24 -9.273 -2.835 -9.628 1.00 0.00 O ATOM 356 CB ASN A 24 -9.450 -3.979 -12.797 1.00 0.00 C ATOM 357 CG ASN A 24 -10.201 -3.132 -13.831 1.00 0.00 C ATOM 358 OD1 ASN A 24 -11.415 -3.137 -13.870 1.00 0.00 O ATOM 359 ND2 ASN A 24 -9.526 -2.400 -14.677 1.00 0.00 N ATOM 0 H ASN A 24 -7.105 -3.703 -13.336 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.912 -2.033 -11.962 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.826 -4.717 -13.301 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.159 -4.530 -12.180 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.019 -1.834 -15.368 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.506 -2.394 -14.646 1.00 0.00 H new ATOM 366 N GLU A 25 -8.044 -4.608 -10.101 1.00 0.00 N ATOM 367 CA GLU A 25 -8.063 -5.084 -8.680 1.00 0.00 C ATOM 368 C GLU A 25 -6.899 -6.056 -8.412 1.00 0.00 C ATOM 369 O GLU A 25 -7.019 -6.980 -7.630 1.00 0.00 O ATOM 370 CB GLU A 25 -9.418 -5.787 -8.499 1.00 0.00 C ATOM 371 CG GLU A 25 -9.574 -6.928 -9.518 1.00 0.00 C ATOM 372 CD GLU A 25 -9.227 -8.272 -8.865 1.00 0.00 C ATOM 373 OE1 GLU A 25 -9.696 -8.520 -7.766 1.00 0.00 O ATOM 374 OE2 GLU A 25 -8.495 -9.034 -9.479 1.00 0.00 O ATOM 0 H GLU A 25 -7.522 -5.201 -10.746 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.942 -4.259 -7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.496 -6.183 -7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.227 -5.067 -8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.597 -6.952 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.923 -6.752 -10.374 1.00 0.00 H new ATOM 381 N LYS A 26 -5.774 -5.852 -9.052 1.00 0.00 N ATOM 382 CA LYS A 26 -4.608 -6.764 -8.839 1.00 0.00 C ATOM 383 C LYS A 26 -3.296 -5.971 -8.806 1.00 0.00 C ATOM 384 O LYS A 26 -3.151 -4.965 -9.474 1.00 0.00 O ATOM 385 CB LYS A 26 -4.634 -7.711 -10.043 1.00 0.00 C ATOM 386 CG LYS A 26 -3.555 -8.790 -9.885 1.00 0.00 C ATOM 387 CD LYS A 26 -2.398 -8.500 -10.848 1.00 0.00 C ATOM 388 CE LYS A 26 -1.566 -9.770 -11.057 1.00 0.00 C ATOM 389 NZ LYS A 26 -0.483 -9.375 -12.002 1.00 0.00 N ATOM 0 H LYS A 26 -5.613 -5.092 -9.713 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.670 -7.297 -7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.616 -8.177 -10.129 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.466 -7.149 -10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.191 -8.808 -8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.976 -9.774 -10.091 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.787 -8.148 -11.803 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.770 -7.704 -10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.154 -10.131 -10.114 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.174 -10.576 -11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.185 -10.164 -12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.898 -9.139 -12.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.020 -8.546 -11.627 1.00 0.00 H new ATOM 403 N THR A 27 -2.337 -6.426 -8.040 1.00 0.00 N ATOM 404 CA THR A 27 -1.022 -5.719 -7.960 1.00 0.00 C ATOM 405 C THR A 27 0.074 -6.716 -7.552 1.00 0.00 C ATOM 406 O THR A 27 -0.207 -7.781 -7.041 1.00 0.00 O ATOM 407 CB THR A 27 -1.212 -4.627 -6.893 1.00 0.00 C ATOM 408 OG1 THR A 27 -0.021 -3.860 -6.778 1.00 0.00 O ATOM 409 CG2 THR A 27 -1.541 -5.261 -5.537 1.00 0.00 C ATOM 0 H THR A 27 -2.409 -7.263 -7.462 1.00 0.00 H new ATOM 0 HA THR A 27 -0.717 -5.286 -8.913 1.00 0.00 H new ATOM 0 HB THR A 27 -2.037 -3.982 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.235 -3.793 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.673 -4.477 -4.791 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.460 -5.841 -5.620 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.724 -5.916 -5.234 1.00 0.00 H new ATOM 417 N GLU A 28 1.317 -6.380 -7.777 1.00 0.00 N ATOM 418 CA GLU A 28 2.422 -7.313 -7.401 1.00 0.00 C ATOM 419 C GLU A 28 3.230 -6.733 -6.237 1.00 0.00 C ATOM 420 O GLU A 28 3.308 -5.533 -6.064 1.00 0.00 O ATOM 421 CB GLU A 28 3.298 -7.428 -8.653 1.00 0.00 C ATOM 422 CG GLU A 28 2.555 -8.218 -9.738 1.00 0.00 C ATOM 423 CD GLU A 28 2.193 -7.287 -10.901 1.00 0.00 C ATOM 424 OE1 GLU A 28 3.102 -6.758 -11.522 1.00 0.00 O ATOM 425 OE2 GLU A 28 1.010 -7.123 -11.153 1.00 0.00 O ATOM 0 H GLU A 28 1.615 -5.503 -8.204 1.00 0.00 H new ATOM 0 HA GLU A 28 2.046 -8.284 -7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.551 -6.434 -9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.236 -7.925 -8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.179 -9.037 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.652 -8.664 -9.322 1.00 0.00 H new ATOM 432 N LEU A 29 3.839 -7.578 -5.443 1.00 0.00 N ATOM 433 CA LEU A 29 4.656 -7.083 -4.292 1.00 0.00 C ATOM 434 C LEU A 29 5.852 -8.014 -4.060 1.00 0.00 C ATOM 435 O LEU A 29 5.687 -9.188 -3.785 1.00 0.00 O ATOM 436 CB LEU A 29 3.719 -7.099 -3.082 1.00 0.00 C ATOM 437 CG LEU A 29 3.069 -5.720 -2.920 1.00 0.00 C ATOM 438 CD1 LEU A 29 1.728 -5.867 -2.195 1.00 0.00 C ATOM 439 CD2 LEU A 29 3.994 -4.814 -2.102 1.00 0.00 C ATOM 0 H LEU A 29 3.806 -8.593 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 29 5.054 -6.085 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.951 -7.861 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.275 -7.359 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 29 2.903 -5.280 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.267 -4.886 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.069 -6.512 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.892 -6.308 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.533 -3.833 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.160 -5.255 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.948 -4.708 -2.618 1.00 0.00 H new ATOM 451 N LEU A 30 7.052 -7.493 -4.177 1.00 0.00 N ATOM 452 CA LEU A 30 8.285 -8.325 -3.973 1.00 0.00 C ATOM 453 C LEU A 30 8.275 -9.566 -4.882 1.00 0.00 C ATOM 454 O LEU A 30 8.793 -10.609 -4.528 1.00 0.00 O ATOM 455 CB LEU A 30 8.261 -8.728 -2.494 1.00 0.00 C ATOM 456 CG LEU A 30 9.673 -8.619 -1.914 1.00 0.00 C ATOM 457 CD1 LEU A 30 10.030 -7.143 -1.712 1.00 0.00 C ATOM 458 CD2 LEU A 30 9.728 -9.347 -0.569 1.00 0.00 C ATOM 0 H LEU A 30 7.232 -6.516 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 30 9.189 -7.772 -4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.578 -8.083 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.891 -9.748 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 30 10.386 -9.073 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.036 -7.065 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.990 -6.625 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.319 -6.688 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.733 -9.270 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.016 -8.893 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.474 -10.397 -0.713 1.00 0.00 H new ATOM 470 N GLY A 31 7.697 -9.456 -6.056 1.00 0.00 N ATOM 471 CA GLY A 31 7.655 -10.620 -6.994 1.00 0.00 C ATOM 472 C GLY A 31 6.527 -11.584 -6.598 1.00 0.00 C ATOM 473 O GLY A 31 6.559 -12.750 -6.942 1.00 0.00 O ATOM 0 H GLY A 31 7.252 -8.607 -6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.500 -10.268 -8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.611 -11.143 -6.979 1.00 0.00 H new ATOM 477 N HIS A 32 5.535 -11.113 -5.879 1.00 0.00 N ATOM 478 CA HIS A 32 4.415 -12.005 -5.464 1.00 0.00 C ATOM 479 C HIS A 32 3.075 -11.415 -5.916 1.00 0.00 C ATOM 480 O HIS A 32 2.903 -10.212 -5.965 1.00 0.00 O ATOM 481 CB HIS A 32 4.488 -12.046 -3.938 1.00 0.00 C ATOM 482 CG HIS A 32 5.828 -12.578 -3.499 1.00 0.00 C ATOM 483 ND1 HIS A 32 6.353 -13.767 -3.984 1.00 0.00 N ATOM 484 CD2 HIS A 32 6.761 -12.087 -2.622 1.00 0.00 C ATOM 485 CE1 HIS A 32 7.552 -13.946 -3.400 1.00 0.00 C ATOM 486 NE2 HIS A 32 7.849 -12.951 -2.561 1.00 0.00 N ATOM 0 H HIS A 32 5.456 -10.146 -5.563 1.00 0.00 H new ATOM 0 HA HIS A 32 4.493 -12.998 -5.906 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.334 -11.046 -3.532 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.691 -12.677 -3.545 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.665 -11.168 -2.063 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.196 -14.792 -3.587 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.692 -12.847 -1.997 1.00 0.00 H new ATOM 494 N GLU A 33 2.125 -12.255 -6.245 1.00 0.00 N ATOM 495 CA GLU A 33 0.792 -11.746 -6.693 1.00 0.00 C ATOM 496 C GLU A 33 -0.021 -11.243 -5.491 1.00 0.00 C ATOM 497 O GLU A 33 -0.121 -11.904 -4.472 1.00 0.00 O ATOM 498 CB GLU A 33 0.101 -12.946 -7.351 1.00 0.00 C ATOM 499 CG GLU A 33 -1.010 -12.456 -8.289 1.00 0.00 C ATOM 500 CD GLU A 33 -0.644 -12.766 -9.744 1.00 0.00 C ATOM 501 OE1 GLU A 33 0.364 -12.253 -10.205 1.00 0.00 O ATOM 502 OE2 GLU A 33 -1.382 -13.503 -10.376 1.00 0.00 O ATOM 0 H GLU A 33 2.215 -13.271 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 33 0.886 -10.907 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.828 -13.534 -7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.318 -13.600 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.953 -12.939 -8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.156 -11.383 -8.163 1.00 0.00 H new ATOM 509 N CYS A 34 -0.603 -10.077 -5.611 1.00 0.00 N ATOM 510 CA CYS A 34 -1.417 -9.514 -4.493 1.00 0.00 C ATOM 511 C CYS A 34 -2.728 -8.933 -5.034 1.00 0.00 C ATOM 512 O CYS A 34 -2.874 -8.703 -6.221 1.00 0.00 O ATOM 513 CB CYS A 34 -0.558 -8.404 -3.887 1.00 0.00 C ATOM 514 SG CYS A 34 0.895 -9.127 -3.088 1.00 0.00 S ATOM 0 H CYS A 34 -0.548 -9.487 -6.441 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.680 -10.274 -3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.248 -7.705 -4.664 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.140 -7.836 -3.161 1.00 0.00 H new ATOM 519 N LYS A 35 -3.678 -8.690 -4.174 1.00 0.00 N ATOM 520 CA LYS A 35 -4.979 -8.123 -4.637 1.00 0.00 C ATOM 521 C LYS A 35 -5.222 -6.749 -4.004 1.00 0.00 C ATOM 522 O LYS A 35 -5.216 -6.600 -2.797 1.00 0.00 O ATOM 523 CB LYS A 35 -6.036 -9.126 -4.178 1.00 0.00 C ATOM 524 CG LYS A 35 -7.219 -9.108 -5.151 1.00 0.00 C ATOM 525 CD LYS A 35 -6.870 -9.921 -6.401 1.00 0.00 C ATOM 526 CE LYS A 35 -7.970 -10.954 -6.666 1.00 0.00 C ATOM 527 NZ LYS A 35 -7.790 -11.360 -8.091 1.00 0.00 N ATOM 0 H LYS A 35 -3.611 -8.859 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.001 -7.976 -5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.606 -10.127 -4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.375 -8.877 -3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.104 -9.524 -4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.459 -8.082 -5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.765 -9.259 -7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.912 -10.422 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.876 -11.810 -5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.959 -10.527 -6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.499 -12.079 -8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.909 -10.530 -8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.836 -11.754 -8.222 1.00 0.00 H new ATOM 541 N PHE A 36 -5.435 -5.750 -4.818 1.00 0.00 N ATOM 542 CA PHE A 36 -5.684 -4.374 -4.290 1.00 0.00 C ATOM 543 C PHE A 36 -7.013 -3.846 -4.843 1.00 0.00 C ATOM 544 O PHE A 36 -7.219 -3.805 -6.039 1.00 0.00 O ATOM 545 CB PHE A 36 -4.501 -3.541 -4.805 1.00 0.00 C ATOM 546 CG PHE A 36 -4.439 -2.212 -4.085 1.00 0.00 C ATOM 547 CD1 PHE A 36 -5.434 -1.250 -4.298 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.381 -1.938 -3.207 1.00 0.00 C ATOM 549 CE1 PHE A 36 -5.374 -0.020 -3.636 1.00 0.00 C ATOM 550 CE2 PHE A 36 -3.321 -0.706 -2.545 1.00 0.00 C ATOM 551 CZ PHE A 36 -4.318 0.252 -2.760 1.00 0.00 C ATOM 0 H PHE A 36 -5.448 -5.828 -5.835 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.757 -4.339 -3.203 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.570 -4.087 -4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.603 -3.376 -5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.249 -1.459 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.612 -2.678 -3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.143 0.720 -3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.506 -0.495 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.272 1.202 -2.249 1.00 0.00 H new ATOM 561 N THR A 37 -7.922 -3.456 -3.984 1.00 0.00 N ATOM 562 CA THR A 37 -9.245 -2.948 -4.472 1.00 0.00 C ATOM 563 C THR A 37 -9.624 -1.621 -3.798 1.00 0.00 C ATOM 564 O THR A 37 -9.199 -1.325 -2.695 1.00 0.00 O ATOM 565 CB THR A 37 -10.256 -4.041 -4.100 1.00 0.00 C ATOM 566 OG1 THR A 37 -10.180 -4.303 -2.703 1.00 0.00 O ATOM 567 CG2 THR A 37 -9.946 -5.321 -4.880 1.00 0.00 C ATOM 0 H THR A 37 -7.808 -3.467 -2.970 1.00 0.00 H new ATOM 0 HA THR A 37 -9.221 -2.749 -5.543 1.00 0.00 H new ATOM 0 HB THR A 37 -11.261 -3.702 -4.352 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.926 -5.238 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.667 -6.094 -4.612 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.010 -5.120 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.940 -5.662 -4.635 1.00 0.00 H new ATOM 575 N VAL A 38 -10.434 -0.828 -4.459 1.00 0.00 N ATOM 576 CA VAL A 38 -10.869 0.480 -3.877 1.00 0.00 C ATOM 577 C VAL A 38 -12.405 0.525 -3.789 1.00 0.00 C ATOM 578 O VAL A 38 -13.099 0.026 -4.657 1.00 0.00 O ATOM 579 CB VAL A 38 -10.326 1.547 -4.843 1.00 0.00 C ATOM 580 CG1 VAL A 38 -11.157 1.577 -6.131 1.00 0.00 C ATOM 581 CG2 VAL A 38 -10.382 2.921 -4.170 1.00 0.00 C ATOM 0 H VAL A 38 -10.814 -1.033 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.496 0.640 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.295 1.300 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.759 2.337 -6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.110 0.603 -6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.194 1.812 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.997 3.677 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.414 3.157 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.775 2.908 -3.265 1.00 0.00 H new ATOM 591 N LYS A 39 -12.943 1.107 -2.742 1.00 0.00 N ATOM 592 CA LYS A 39 -14.432 1.167 -2.602 1.00 0.00 C ATOM 593 C LYS A 39 -14.864 2.464 -1.900 1.00 0.00 C ATOM 594 O LYS A 39 -14.678 2.611 -0.706 1.00 0.00 O ATOM 595 CB LYS A 39 -14.798 -0.052 -1.747 1.00 0.00 C ATOM 596 CG LYS A 39 -15.813 -0.918 -2.496 1.00 0.00 C ATOM 597 CD LYS A 39 -16.265 -2.075 -1.598 1.00 0.00 C ATOM 598 CE LYS A 39 -17.688 -1.811 -1.088 1.00 0.00 C ATOM 599 NZ LYS A 39 -18.591 -2.282 -2.179 1.00 0.00 N ATOM 0 H LYS A 39 -12.418 1.541 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.932 1.158 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.904 -0.634 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.215 0.272 -0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.673 -0.316 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.368 -1.308 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.236 -3.012 -2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.581 -2.183 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.879 -2.349 -0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.841 -0.752 -0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.581 -2.132 -1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.392 -1.748 -3.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.429 -3.295 -2.350 1.00 0.00 H new ATOM 613 N PRO A 40 -15.440 3.364 -2.666 1.00 0.00 N ATOM 614 CA PRO A 40 -15.914 4.651 -2.100 1.00 0.00 C ATOM 615 C PRO A 40 -17.250 4.458 -1.371 1.00 0.00 C ATOM 616 O PRO A 40 -17.954 3.489 -1.593 1.00 0.00 O ATOM 617 CB PRO A 40 -16.102 5.535 -3.329 1.00 0.00 C ATOM 618 CG PRO A 40 -16.343 4.587 -4.464 1.00 0.00 C ATOM 619 CD PRO A 40 -15.693 3.272 -4.110 1.00 0.00 C ATOM 0 HA PRO A 40 -15.223 5.075 -1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -16.944 6.215 -3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.220 6.150 -3.510 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.412 4.453 -4.630 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.924 4.984 -5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.345 2.431 -4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.768 3.124 -4.667 1.00 0.00 H new ATOM 766 N TYR A 48 -17.098 9.680 0.696 1.00 0.00 N ATOM 767 CA TYR A 48 -15.791 9.222 1.261 1.00 0.00 C ATOM 768 C TYR A 48 -15.124 8.197 0.336 1.00 0.00 C ATOM 769 O TYR A 48 -15.775 7.537 -0.450 1.00 0.00 O ATOM 770 CB TYR A 48 -16.143 8.583 2.607 1.00 0.00 C ATOM 771 CG TYR A 48 -16.382 9.668 3.631 1.00 0.00 C ATOM 772 CD1 TYR A 48 -15.295 10.350 4.196 1.00 0.00 C ATOM 773 CD2 TYR A 48 -17.690 9.998 4.014 1.00 0.00 C ATOM 774 CE1 TYR A 48 -15.518 11.359 5.141 1.00 0.00 C ATOM 775 CE2 TYR A 48 -17.909 11.006 4.958 1.00 0.00 C ATOM 776 CZ TYR A 48 -16.824 11.687 5.522 1.00 0.00 C ATOM 777 OH TYR A 48 -17.046 12.683 6.452 1.00 0.00 O ATOM 0 HA TYR A 48 -15.085 10.045 1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -17.033 7.961 2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.334 7.930 2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.287 10.097 3.903 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -18.528 9.474 3.580 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.681 11.885 5.576 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -18.917 11.259 5.252 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.009 12.783 6.601 1.00 0.00 H new ATOM 787 N TYR A 49 -13.824 8.063 0.432 1.00 0.00 N ATOM 788 CA TYR A 49 -13.098 7.084 -0.431 1.00 0.00 C ATOM 789 C TYR A 49 -12.324 6.091 0.442 1.00 0.00 C ATOM 790 O TYR A 49 -11.628 6.473 1.364 1.00 0.00 O ATOM 791 CB TYR A 49 -12.142 7.926 -1.278 1.00 0.00 C ATOM 792 CG TYR A 49 -12.699 8.080 -2.674 1.00 0.00 C ATOM 793 CD1 TYR A 49 -13.828 8.879 -2.893 1.00 0.00 C ATOM 794 CD2 TYR A 49 -12.088 7.424 -3.749 1.00 0.00 C ATOM 795 CE1 TYR A 49 -14.346 9.021 -4.186 1.00 0.00 C ATOM 796 CE2 TYR A 49 -12.605 7.566 -5.042 1.00 0.00 C ATOM 797 CZ TYR A 49 -13.734 8.365 -5.260 1.00 0.00 C ATOM 798 OH TYR A 49 -14.245 8.503 -6.534 1.00 0.00 O ATOM 0 H TYR A 49 -13.234 8.592 1.074 1.00 0.00 H new ATOM 0 HA TYR A 49 -13.774 6.499 -1.054 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.003 8.906 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.162 7.451 -1.318 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.299 9.386 -2.064 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.217 6.808 -3.581 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -15.217 9.636 -4.354 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -12.133 7.060 -5.871 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.559 8.258 -7.190 1.00 0.00 H new ATOM 808 N LYS A 50 -12.445 4.819 0.160 1.00 0.00 N ATOM 809 CA LYS A 50 -11.724 3.793 0.972 1.00 0.00 C ATOM 810 C LYS A 50 -11.011 2.795 0.058 1.00 0.00 C ATOM 811 O LYS A 50 -11.306 2.698 -1.118 1.00 0.00 O ATOM 812 CB LYS A 50 -12.816 3.090 1.779 1.00 0.00 C ATOM 813 CG LYS A 50 -12.202 2.430 3.016 1.00 0.00 C ATOM 814 CD LYS A 50 -12.608 0.956 3.067 1.00 0.00 C ATOM 815 CE LYS A 50 -12.363 0.406 4.475 1.00 0.00 C ATOM 816 NZ LYS A 50 -13.575 0.777 5.261 1.00 0.00 N ATOM 0 H LYS A 50 -13.014 4.446 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.962 4.237 1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.579 3.808 2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.311 2.339 1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.116 2.517 2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.538 2.941 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.660 0.848 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.034 0.385 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.223 -0.675 4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.463 0.837 4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.311 0.928 6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.985 1.651 4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.275 0.010 5.202 1.00 0.00 H new ATOM 830 N GLY A 51 -10.074 2.054 0.589 1.00 0.00 N ATOM 831 CA GLY A 51 -9.345 1.063 -0.249 1.00 0.00 C ATOM 832 C GLY A 51 -8.727 -0.022 0.632 1.00 0.00 C ATOM 833 O GLY A 51 -8.238 0.242 1.716 1.00 0.00 O ATOM 0 H GLY A 51 -9.784 2.094 1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.028 0.612 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.565 1.564 -0.822 1.00 0.00 H new ATOM 837 N ARG A 52 -8.747 -1.243 0.164 1.00 0.00 N ATOM 838 CA ARG A 52 -8.167 -2.373 0.945 1.00 0.00 C ATOM 839 C ARG A 52 -7.248 -3.208 0.046 1.00 0.00 C ATOM 840 O ARG A 52 -7.484 -3.341 -1.140 1.00 0.00 O ATOM 841 CB ARG A 52 -9.375 -3.202 1.387 1.00 0.00 C ATOM 842 CG ARG A 52 -9.724 -2.867 2.839 1.00 0.00 C ATOM 843 CD ARG A 52 -9.843 -4.160 3.650 1.00 0.00 C ATOM 844 NE ARG A 52 -11.295 -4.499 3.632 1.00 0.00 N ATOM 845 CZ ARG A 52 -11.882 -4.916 4.721 1.00 0.00 C ATOM 846 NH1 ARG A 52 -12.149 -4.070 5.681 1.00 0.00 N ATOM 847 NH2 ARG A 52 -12.200 -6.178 4.849 1.00 0.00 N ATOM 0 H ARG A 52 -9.146 -1.507 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.570 -2.034 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.228 -2.994 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.154 -4.265 1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.955 -2.225 3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.662 -2.313 2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.247 -4.958 3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.484 -4.020 4.670 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.830 -4.405 2.769 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.899 -3.087 5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.608 -4.393 6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.989 -6.836 4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.659 -6.505 5.700 1.00 0.00 H new ATOM 861 N MET A 53 -6.204 -3.776 0.596 1.00 0.00 N ATOM 862 CA MET A 53 -5.283 -4.601 -0.240 1.00 0.00 C ATOM 863 C MET A 53 -4.652 -5.729 0.585 1.00 0.00 C ATOM 864 O MET A 53 -4.566 -5.660 1.798 1.00 0.00 O ATOM 865 CB MET A 53 -4.213 -3.630 -0.758 1.00 0.00 C ATOM 866 CG MET A 53 -3.168 -3.349 0.327 1.00 0.00 C ATOM 867 SD MET A 53 -1.733 -4.421 0.068 1.00 0.00 S ATOM 868 CE MET A 53 -0.834 -3.334 -1.064 1.00 0.00 C ATOM 0 H MET A 53 -5.952 -3.704 1.582 1.00 0.00 H new ATOM 0 HA MET A 53 -5.813 -5.086 -1.060 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.727 -4.052 -1.638 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.682 -2.696 -1.069 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.865 -2.302 0.294 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.595 -3.526 1.314 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.716 -3.830 -2.028 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.392 -2.407 -1.198 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.149 -3.109 -0.649 1.00 0.00 H new ATOM 878 N TRP A 54 -4.213 -6.765 -0.079 1.00 0.00 N ATOM 879 CA TRP A 54 -3.580 -7.917 0.635 1.00 0.00 C ATOM 880 C TRP A 54 -2.819 -8.800 -0.360 1.00 0.00 C ATOM 881 O TRP A 54 -2.836 -8.558 -1.551 1.00 0.00 O ATOM 882 CB TRP A 54 -4.740 -8.693 1.282 1.00 0.00 C ATOM 883 CG TRP A 54 -5.746 -9.094 0.244 1.00 0.00 C ATOM 884 CD1 TRP A 54 -5.707 -10.240 -0.477 1.00 0.00 C ATOM 885 CD2 TRP A 54 -6.935 -8.375 -0.196 1.00 0.00 C ATOM 886 NE1 TRP A 54 -6.795 -10.267 -1.332 1.00 0.00 N ATOM 887 CE2 TRP A 54 -7.581 -9.140 -1.195 1.00 0.00 C ATOM 888 CE3 TRP A 54 -7.510 -7.144 0.171 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -8.754 -8.700 -1.809 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -8.691 -6.699 -0.446 1.00 0.00 C ATOM 891 CH2 TRP A 54 -9.312 -7.475 -1.433 1.00 0.00 C ATOM 0 H TRP A 54 -4.265 -6.865 -1.093 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.859 -7.588 1.383 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.356 -9.580 1.786 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.219 -8.076 2.042 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.951 -11.007 -0.398 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.992 -11.027 -1.984 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.040 -6.538 0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -9.228 -9.302 -2.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.123 -5.752 -0.157 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.220 -7.127 -1.903 1.00 0.00 H new ATOM 902 N CYS A 55 -2.148 -9.819 0.116 1.00 0.00 N ATOM 903 CA CYS A 55 -1.386 -10.710 -0.809 1.00 0.00 C ATOM 904 C CYS A 55 -1.742 -12.182 -0.557 1.00 0.00 C ATOM 905 O CYS A 55 -1.169 -12.816 0.309 1.00 0.00 O ATOM 906 CB CYS A 55 0.086 -10.449 -0.495 1.00 0.00 C ATOM 907 SG CYS A 55 0.569 -8.822 -1.119 1.00 0.00 S ATOM 0 H CYS A 55 -2.095 -10.071 1.103 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.620 -10.508 -1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.252 -10.499 0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.706 -11.221 -0.950 1.00 0.00 H new ATOM 912 N PRO A 56 -2.683 -12.679 -1.328 1.00 0.00 N ATOM 913 CA PRO A 56 -3.119 -14.092 -1.189 1.00 0.00 C ATOM 914 C PRO A 56 -2.091 -15.038 -1.833 1.00 0.00 C ATOM 915 O PRO A 56 -2.251 -15.480 -2.955 1.00 0.00 O ATOM 916 CB PRO A 56 -4.451 -14.129 -1.934 1.00 0.00 C ATOM 917 CG PRO A 56 -4.386 -13.008 -2.924 1.00 0.00 C ATOM 918 CD PRO A 56 -3.422 -11.978 -2.388 1.00 0.00 C ATOM 0 HA PRO A 56 -3.212 -14.416 -0.152 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.595 -15.087 -2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.288 -13.999 -1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.053 -13.374 -3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.373 -12.569 -3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.751 -11.619 -3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.949 -11.108 -1.996 1.00 0.00 H new ATOM 926 N GLY A 57 -1.036 -15.345 -1.121 1.00 0.00 N ATOM 927 CA GLY A 57 0.013 -16.253 -1.670 1.00 0.00 C ATOM 928 C GLY A 57 1.372 -15.891 -1.062 1.00 0.00 C ATOM 929 O GLY A 57 2.115 -16.750 -0.627 1.00 0.00 O ATOM 0 H GLY A 57 -0.857 -15.003 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.234 -17.290 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.053 -16.165 -2.756 1.00 0.00 H new ATOM 933 N TRP A 58 1.695 -14.620 -1.026 1.00 0.00 N ATOM 934 CA TRP A 58 2.999 -14.182 -0.444 1.00 0.00 C ATOM 935 C TRP A 58 3.006 -14.415 1.072 1.00 0.00 C ATOM 936 O TRP A 58 3.853 -15.111 1.600 1.00 0.00 O ATOM 937 CB TRP A 58 3.090 -12.683 -0.760 1.00 0.00 C ATOM 938 CG TRP A 58 4.364 -12.102 -0.218 1.00 0.00 C ATOM 939 CD1 TRP A 58 5.459 -12.809 0.157 1.00 0.00 C ATOM 940 CD2 TRP A 58 4.689 -10.700 0.012 1.00 0.00 C ATOM 941 NE1 TRP A 58 6.427 -11.929 0.605 1.00 0.00 N ATOM 942 CE2 TRP A 58 6.001 -10.619 0.534 1.00 0.00 C ATOM 943 CE3 TRP A 58 3.978 -9.502 -0.181 1.00 0.00 C ATOM 944 CZ2 TRP A 58 6.585 -9.395 0.854 1.00 0.00 C ATOM 945 CZ3 TRP A 58 4.564 -8.268 0.140 1.00 0.00 C ATOM 946 CH2 TRP A 58 5.865 -8.215 0.657 1.00 0.00 C ATOM 0 H TRP A 58 1.106 -13.865 -1.377 1.00 0.00 H new ATOM 0 HA TRP A 58 3.843 -14.737 -0.854 1.00 0.00 H new ATOM 0 HB2 TRP A 58 3.045 -12.530 -1.838 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.235 -12.163 -0.328 1.00 0.00 H new ATOM 0 HD1 TRP A 58 5.559 -13.883 0.113 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.345 -12.214 0.947 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.974 -9.532 -0.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 7.588 -9.359 1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 4.009 -7.354 -0.012 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.311 -7.262 0.903 1.00 0.00 H new ATOM 957 N THR A 59 2.067 -13.833 1.772 1.00 0.00 N ATOM 958 CA THR A 59 2.007 -14.007 3.251 1.00 0.00 C ATOM 959 C THR A 59 0.551 -13.899 3.733 1.00 0.00 C ATOM 960 O THR A 59 -0.377 -13.950 2.947 1.00 0.00 O ATOM 961 CB THR A 59 2.880 -12.872 3.821 1.00 0.00 C ATOM 962 OG1 THR A 59 2.942 -12.982 5.236 1.00 0.00 O ATOM 963 CG2 THR A 59 2.290 -11.510 3.439 1.00 0.00 C ATOM 0 H THR A 59 1.335 -13.241 1.379 1.00 0.00 H new ATOM 0 HA THR A 59 2.367 -14.983 3.578 1.00 0.00 H new ATOM 0 HB THR A 59 3.884 -12.955 3.404 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.440 -12.245 5.644 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.915 -10.715 3.847 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.253 -11.421 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.282 -11.423 3.845 1.00 0.00 H new ATOM 971 N ALA A 60 0.349 -13.753 5.016 1.00 0.00 N ATOM 972 CA ALA A 60 -1.038 -13.645 5.559 1.00 0.00 C ATOM 973 C ALA A 60 -1.235 -12.286 6.245 1.00 0.00 C ATOM 974 O ALA A 60 -1.693 -12.204 7.368 1.00 0.00 O ATOM 975 CB ALA A 60 -1.158 -14.790 6.569 1.00 0.00 C ATOM 0 H ALA A 60 1.090 -13.704 5.716 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.796 -13.714 4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.153 -14.780 7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.998 -15.741 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.409 -14.665 7.351 1.00 0.00 H new ATOM 981 N ILE A 61 -0.892 -11.220 5.566 1.00 0.00 N ATOM 982 CA ILE A 61 -1.054 -9.857 6.155 1.00 0.00 C ATOM 983 C ILE A 61 -1.938 -8.998 5.241 1.00 0.00 C ATOM 984 O ILE A 61 -1.953 -9.174 4.036 1.00 0.00 O ATOM 985 CB ILE A 61 0.374 -9.293 6.245 1.00 0.00 C ATOM 986 CG1 ILE A 61 1.032 -9.792 7.536 1.00 0.00 C ATOM 987 CG2 ILE A 61 0.345 -7.759 6.251 1.00 0.00 C ATOM 988 CD1 ILE A 61 2.555 -9.720 7.401 1.00 0.00 C ATOM 0 H ILE A 61 -0.504 -11.237 4.623 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.537 -9.872 7.132 1.00 0.00 H new ATOM 0 HB ILE A 61 0.943 -9.631 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.703 -9.186 8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.724 -10.817 7.740 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.364 -7.376 6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.120 -7.400 5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.229 -7.409 7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.019 -10.076 8.321 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.876 -10.345 6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.856 -8.688 7.218 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.675 -8.071 5.802 1.00 0.00 N ATOM 1001 CA ARG A 62 -3.551 -7.204 4.959 1.00 0.00 C ATOM 1002 C ARG A 62 -3.329 -5.724 5.279 1.00 0.00 C ATOM 1003 O ARG A 62 -2.733 -5.369 6.281 1.00 0.00 O ATOM 1004 CB ARG A 62 -4.994 -7.614 5.280 1.00 0.00 C ATOM 1005 CG ARG A 62 -5.187 -7.777 6.793 1.00 0.00 C ATOM 1006 CD ARG A 62 -6.656 -7.527 7.150 1.00 0.00 C ATOM 1007 NE ARG A 62 -6.832 -6.048 7.064 1.00 0.00 N ATOM 1008 CZ ARG A 62 -7.800 -5.466 7.717 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -7.731 -5.350 9.017 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -8.835 -5.002 7.068 1.00 0.00 N ATOM 0 H ARG A 62 -2.707 -7.879 6.803 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.326 -7.332 3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.684 -6.861 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.232 -8.550 4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.892 -8.780 7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.547 -7.077 7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.323 -8.044 6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.886 -7.894 8.150 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.195 -5.491 6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.921 -5.714 9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.487 -4.895 9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.885 -5.095 6.053 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.593 -4.547 7.576 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.811 -4.863 4.422 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.646 -3.395 4.645 1.00 0.00 C ATOM 1026 C GLY A 63 -4.902 -2.655 4.178 1.00 0.00 C ATOM 1027 O GLY A 63 -5.612 -3.108 3.299 1.00 0.00 O ATOM 0 H GLY A 63 -4.315 -5.115 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.468 -3.196 5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.775 -3.031 4.101 1.00 0.00 H new ATOM 1031 N GLU A 64 -5.180 -1.518 4.763 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.388 -0.737 4.362 1.00 0.00 C ATOM 1033 C GLU A 64 -6.169 0.748 4.643 1.00 0.00 C ATOM 1034 O GLU A 64 -5.340 1.125 5.452 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.533 -1.290 5.215 1.00 0.00 C ATOM 1036 CG GLU A 64 -8.760 -0.371 5.117 1.00 0.00 C ATOM 1037 CD GLU A 64 -9.863 -0.877 6.050 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -10.189 -2.051 5.976 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -10.372 -0.077 6.818 1.00 0.00 O ATOM 0 H GLU A 64 -4.620 -1.096 5.504 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.604 -0.830 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.794 -2.294 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.214 -1.374 6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.484 0.649 5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.124 -0.344 4.090 1.00 0.00 H new ATOM 1046 N ALA A 65 -6.916 1.587 3.981 1.00 0.00 N ATOM 1047 CA ALA A 65 -6.769 3.059 4.200 1.00 0.00 C ATOM 1048 C ALA A 65 -7.918 3.829 3.542 1.00 0.00 C ATOM 1049 O ALA A 65 -8.447 3.425 2.521 1.00 0.00 O ATOM 1050 CB ALA A 65 -5.440 3.427 3.542 1.00 0.00 C ATOM 0 H ALA A 65 -7.623 1.320 3.297 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.791 3.312 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.259 4.495 3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.633 2.868 4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.479 3.181 2.481 1.00 0.00 H new ATOM 1056 N SER A 66 -8.299 4.943 4.119 1.00 0.00 N ATOM 1057 CA SER A 66 -9.408 5.763 3.535 1.00 0.00 C ATOM 1058 C SER A 66 -9.047 7.251 3.588 1.00 0.00 C ATOM 1059 O SER A 66 -8.374 7.703 4.496 1.00 0.00 O ATOM 1060 CB SER A 66 -10.636 5.490 4.407 1.00 0.00 C ATOM 1061 OG SER A 66 -10.676 4.115 4.769 1.00 0.00 O ATOM 0 H SER A 66 -7.888 5.321 4.973 1.00 0.00 H new ATOM 0 HA SER A 66 -9.590 5.505 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.602 6.110 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.544 5.760 3.867 1.00 0.00 H new ATOM 0 HG SER A 66 -11.365 3.977 5.452 1.00 0.00 H new ATOM 1067 N THR A 67 -9.500 8.014 2.624 1.00 0.00 N ATOM 1068 CA THR A 67 -9.196 9.482 2.609 1.00 0.00 C ATOM 1069 C THR A 67 -10.019 10.181 1.515 1.00 0.00 C ATOM 1070 O THR A 67 -10.670 9.539 0.715 1.00 0.00 O ATOM 1071 CB THR A 67 -7.686 9.585 2.327 1.00 0.00 C ATOM 1072 OG1 THR A 67 -7.240 10.901 2.625 1.00 0.00 O ATOM 1073 CG2 THR A 67 -7.393 9.267 0.858 1.00 0.00 C ATOM 0 H THR A 67 -10.069 7.684 1.844 1.00 0.00 H new ATOM 0 HA THR A 67 -9.454 9.968 3.550 1.00 0.00 H new ATOM 0 HB THR A 67 -7.160 8.865 2.953 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.279 10.969 2.448 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.321 9.344 0.676 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.727 8.255 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.922 9.975 0.220 1.00 0.00 H new ATOM 1081 N ARG A 68 -9.999 11.492 1.485 1.00 0.00 N ATOM 1082 CA ARG A 68 -10.790 12.239 0.453 1.00 0.00 C ATOM 1083 C ARG A 68 -10.201 12.040 -0.952 1.00 0.00 C ATOM 1084 O ARG A 68 -10.925 11.859 -1.914 1.00 0.00 O ATOM 1085 CB ARG A 68 -10.720 13.716 0.873 1.00 0.00 C ATOM 1086 CG ARG A 68 -9.290 14.255 0.730 1.00 0.00 C ATOM 1087 CD ARG A 68 -9.192 15.633 1.395 1.00 0.00 C ATOM 1088 NE ARG A 68 -8.394 15.412 2.634 1.00 0.00 N ATOM 1089 CZ ARG A 68 -7.735 16.404 3.171 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -6.520 16.673 2.771 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -8.295 17.126 4.107 1.00 0.00 N ATOM 0 H ARG A 68 -9.469 12.078 2.130 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.818 11.881 0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.399 14.306 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.052 13.821 1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.583 13.566 1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.022 14.328 -0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.707 16.354 0.737 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.180 16.029 1.628 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.362 14.487 3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.087 16.109 2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.005 17.447 3.190 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.244 16.914 4.416 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.783 17.901 4.528 1.00 0.00 H new ATOM 1105 N SER A 69 -8.899 12.083 -1.078 1.00 0.00 N ATOM 1106 CA SER A 69 -8.258 11.910 -2.423 1.00 0.00 C ATOM 1107 C SER A 69 -8.474 10.485 -2.952 1.00 0.00 C ATOM 1108 O SER A 69 -8.382 9.517 -2.221 1.00 0.00 O ATOM 1109 CB SER A 69 -6.758 12.185 -2.228 1.00 0.00 C ATOM 1110 OG SER A 69 -6.446 12.288 -0.840 1.00 0.00 O ATOM 0 H SER A 69 -8.248 12.231 -0.307 1.00 0.00 H new ATOM 0 HA SER A 69 -8.696 12.591 -3.153 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.173 11.384 -2.680 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.482 13.108 -2.738 1.00 0.00 H new ATOM 0 HG SER A 69 -5.488 12.461 -0.732 1.00 0.00 H new ATOM 1116 N GLN A 70 -8.758 10.363 -4.227 1.00 0.00 N ATOM 1117 CA GLN A 70 -8.985 9.014 -4.837 1.00 0.00 C ATOM 1118 C GLN A 70 -7.654 8.259 -4.970 1.00 0.00 C ATOM 1119 O GLN A 70 -7.526 7.134 -4.528 1.00 0.00 O ATOM 1120 CB GLN A 70 -9.592 9.299 -6.217 1.00 0.00 C ATOM 1121 CG GLN A 70 -9.769 7.988 -6.990 1.00 0.00 C ATOM 1122 CD GLN A 70 -10.712 8.215 -8.176 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -11.813 7.702 -8.197 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -10.326 8.966 -9.172 1.00 0.00 N ATOM 0 H GLN A 70 -8.843 11.146 -4.876 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.639 8.389 -4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.555 9.798 -6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -8.946 9.976 -6.775 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.803 7.629 -7.344 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.173 7.218 -6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.402 9.398 -9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.948 9.121 -9.965 1.00 0.00 H new ATOM 1133 N SER A 71 -6.664 8.871 -5.571 1.00 0.00 N ATOM 1134 CA SER A 71 -5.340 8.190 -5.726 1.00 0.00 C ATOM 1135 C SER A 71 -4.621 8.121 -4.373 1.00 0.00 C ATOM 1136 O SER A 71 -3.925 7.167 -4.080 1.00 0.00 O ATOM 1137 CB SER A 71 -4.547 9.060 -6.704 1.00 0.00 C ATOM 1138 OG SER A 71 -5.280 9.197 -7.915 1.00 0.00 O ATOM 0 H SER A 71 -6.715 9.812 -5.961 1.00 0.00 H new ATOM 0 HA SER A 71 -5.447 7.168 -6.088 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.360 10.041 -6.266 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.575 8.609 -6.903 1.00 0.00 H new ATOM 0 HG SER A 71 -4.774 9.755 -8.542 1.00 0.00 H new ATOM 1144 N GLY A 72 -4.790 9.130 -3.552 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.124 9.144 -2.215 1.00 0.00 C ATOM 1146 C GLY A 72 -4.598 7.953 -1.374 1.00 0.00 C ATOM 1147 O GLY A 72 -3.828 7.375 -0.632 1.00 0.00 O ATOM 0 H GLY A 72 -5.365 9.948 -3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.042 9.103 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.350 10.076 -1.698 1.00 0.00 H new ATOM 1151 N VAL A 73 -5.854 7.581 -1.481 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.362 6.422 -0.677 1.00 0.00 C ATOM 1153 C VAL A 73 -5.637 5.129 -1.084 1.00 0.00 C ATOM 1154 O VAL A 73 -5.326 4.300 -0.249 1.00 0.00 O ATOM 1155 CB VAL A 73 -7.877 6.342 -0.961 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.165 5.420 -2.151 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.592 5.794 0.275 1.00 0.00 C ATOM 0 H VAL A 73 -6.544 8.026 -2.086 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.177 6.552 0.389 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.237 7.343 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.240 5.381 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.663 5.804 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.797 4.418 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.663 5.735 0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.210 4.799 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.413 6.456 1.122 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.356 4.960 -2.355 1.00 0.00 N ATOM 1168 CA ALA A 74 -4.642 3.727 -2.806 1.00 0.00 C ATOM 1169 C ALA A 74 -3.202 3.743 -2.290 1.00 0.00 C ATOM 1170 O ALA A 74 -2.665 2.724 -1.896 1.00 0.00 O ATOM 1171 CB ALA A 74 -4.673 3.774 -4.336 1.00 0.00 C ATOM 0 H ALA A 74 -5.590 5.621 -3.096 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.108 2.817 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.165 2.897 -4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.708 3.783 -4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.168 4.676 -4.683 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.578 4.895 -2.276 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.179 4.987 -1.772 1.00 0.00 C ATOM 1179 C GLY A 75 -1.151 4.654 -0.279 1.00 0.00 C ATOM 1180 O GLY A 75 -0.247 3.998 0.196 1.00 0.00 O ATOM 0 H GLY A 75 -2.981 5.776 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.537 4.298 -2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.786 5.990 -1.939 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.139 5.096 0.460 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.171 4.799 1.922 1.00 0.00 C ATOM 1186 C LYS A 76 -2.405 3.298 2.159 1.00 0.00 C ATOM 1187 O LYS A 76 -1.787 2.703 3.017 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.332 5.629 2.479 1.00 0.00 C ATOM 1189 CG LYS A 76 -3.106 5.877 3.975 1.00 0.00 C ATOM 1190 CD LYS A 76 -3.772 7.194 4.387 1.00 0.00 C ATOM 1191 CE LYS A 76 -2.797 8.020 5.234 1.00 0.00 C ATOM 1192 NZ LYS A 76 -3.045 7.598 6.644 1.00 0.00 N ATOM 0 H LYS A 76 -2.923 5.649 0.113 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.230 5.048 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.403 6.578 1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.275 5.106 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.518 5.052 4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.038 5.916 4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.067 7.757 3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.681 6.992 4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.764 7.830 4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.973 9.088 5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.412 8.123 7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.034 7.798 6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.863 6.578 6.738 1.00 0.00 H new ATOM 1206 N THR A 77 -3.278 2.677 1.398 1.00 0.00 N ATOM 1207 CA THR A 77 -3.524 1.213 1.592 1.00 0.00 C ATOM 1208 C THR A 77 -2.232 0.429 1.335 1.00 0.00 C ATOM 1209 O THR A 77 -1.932 -0.530 2.024 1.00 0.00 O ATOM 1210 CB THR A 77 -4.606 0.836 0.569 1.00 0.00 C ATOM 1211 OG1 THR A 77 -5.755 1.653 0.759 1.00 0.00 O ATOM 1212 CG2 THR A 77 -4.994 -0.635 0.740 1.00 0.00 C ATOM 0 H THR A 77 -3.825 3.117 0.658 1.00 0.00 H new ATOM 0 HA THR A 77 -3.843 0.980 2.608 1.00 0.00 H new ATOM 0 HB THR A 77 -4.213 0.992 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.629 2.508 0.296 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.762 -0.896 0.012 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.117 -1.263 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.380 -0.795 1.747 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.463 0.839 0.359 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.184 0.131 0.066 1.00 0.00 C ATOM 1222 C ALA A 78 0.883 0.535 1.091 1.00 0.00 C ATOM 1223 O ALA A 78 1.695 -0.272 1.502 1.00 0.00 O ATOM 1224 CB ALA A 78 0.215 0.584 -1.340 1.00 0.00 C ATOM 0 H ALA A 78 -1.667 1.634 -0.247 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.287 -0.953 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.150 0.103 -1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.567 0.306 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.346 1.666 -1.350 1.00 0.00 H new ATOM 1230 N LYS A 79 0.880 1.778 1.515 1.00 0.00 N ATOM 1231 CA LYS A 79 1.888 2.229 2.524 1.00 0.00 C ATOM 1232 C LYS A 79 1.606 1.564 3.874 1.00 0.00 C ATOM 1233 O LYS A 79 2.517 1.161 4.572 1.00 0.00 O ATOM 1234 CB LYS A 79 1.723 3.749 2.623 1.00 0.00 C ATOM 1235 CG LYS A 79 3.076 4.393 2.946 1.00 0.00 C ATOM 1236 CD LYS A 79 2.907 5.909 3.091 1.00 0.00 C ATOM 1237 CE LYS A 79 2.445 6.507 1.756 1.00 0.00 C ATOM 1238 NZ LYS A 79 3.106 7.841 1.668 1.00 0.00 N ATOM 0 H LYS A 79 0.225 2.496 1.206 1.00 0.00 H new ATOM 0 HA LYS A 79 2.905 1.959 2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.335 4.145 1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.997 3.996 3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.478 3.973 3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.793 4.172 2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.179 6.131 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.850 6.362 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.733 5.870 0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.360 6.604 1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.382 8.588 1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.739 7.969 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.658 7.897 0.789 1.00 0.00 H new ATOM 1252 N ASP A 80 0.351 1.428 4.237 1.00 0.00 N ATOM 1253 CA ASP A 80 0.016 0.768 5.536 1.00 0.00 C ATOM 1254 C ASP A 80 0.391 -0.717 5.469 1.00 0.00 C ATOM 1255 O ASP A 80 0.818 -1.300 6.447 1.00 0.00 O ATOM 1256 CB ASP A 80 -1.500 0.939 5.714 1.00 0.00 C ATOM 1257 CG ASP A 80 -1.796 2.277 6.403 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -1.610 2.356 7.607 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -2.208 3.197 5.714 1.00 0.00 O ATOM 0 H ASP A 80 -0.450 1.745 3.691 1.00 0.00 H new ATOM 0 HA ASP A 80 0.561 1.205 6.373 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.996 0.902 4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.900 0.117 6.308 1.00 0.00 H new ATOM 1264 N PHE A 81 0.248 -1.328 4.313 1.00 0.00 N ATOM 1265 CA PHE A 81 0.612 -2.771 4.176 1.00 0.00 C ATOM 1266 C PHE A 81 2.130 -2.936 4.310 1.00 0.00 C ATOM 1267 O PHE A 81 2.605 -3.856 4.949 1.00 0.00 O ATOM 1268 CB PHE A 81 0.144 -3.175 2.773 1.00 0.00 C ATOM 1269 CG PHE A 81 0.410 -4.647 2.546 1.00 0.00 C ATOM 1270 CD1 PHE A 81 1.682 -5.078 2.147 1.00 0.00 C ATOM 1271 CD2 PHE A 81 -0.616 -5.581 2.733 1.00 0.00 C ATOM 1272 CE1 PHE A 81 1.926 -6.440 1.936 1.00 0.00 C ATOM 1273 CE2 PHE A 81 -0.372 -6.942 2.520 1.00 0.00 C ATOM 1274 CZ PHE A 81 0.899 -7.372 2.122 1.00 0.00 C ATOM 0 H PHE A 81 -0.104 -0.888 3.463 1.00 0.00 H new ATOM 0 HA PHE A 81 0.151 -3.392 4.944 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.920 -2.967 2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.665 -2.582 2.021 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.475 -4.359 2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.597 -5.251 3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.907 -6.772 1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.165 -7.661 2.663 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.087 -8.423 1.958 1.00 0.00 H new ATOM 1284 N VAL A 82 2.893 -2.045 3.719 1.00 0.00 N ATOM 1285 CA VAL A 82 4.380 -2.147 3.824 1.00 0.00 C ATOM 1286 C VAL A 82 4.809 -1.899 5.276 1.00 0.00 C ATOM 1287 O VAL A 82 5.723 -2.527 5.773 1.00 0.00 O ATOM 1288 CB VAL A 82 4.941 -1.066 2.888 1.00 0.00 C ATOM 1289 CG1 VAL A 82 6.471 -1.051 2.975 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.522 -1.371 1.445 1.00 0.00 C ATOM 0 H VAL A 82 2.550 -1.256 3.171 1.00 0.00 H new ATOM 0 HA VAL A 82 4.750 -3.133 3.542 1.00 0.00 H new ATOM 0 HB VAL A 82 4.549 -0.094 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.866 -0.283 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.775 -0.835 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.862 -2.024 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.920 -0.604 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.913 -2.345 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.434 -1.381 1.376 1.00 0.00 H new ATOM 1300 N ARG A 83 4.137 -1.001 5.962 1.00 0.00 N ATOM 1301 CA ARG A 83 4.487 -0.726 7.390 1.00 0.00 C ATOM 1302 C ARG A 83 4.249 -1.988 8.226 1.00 0.00 C ATOM 1303 O ARG A 83 5.048 -2.339 9.074 1.00 0.00 O ATOM 1304 CB ARG A 83 3.550 0.404 7.830 1.00 0.00 C ATOM 1305 CG ARG A 83 4.356 1.508 8.518 1.00 0.00 C ATOM 1306 CD ARG A 83 3.528 2.797 8.554 1.00 0.00 C ATOM 1307 NE ARG A 83 4.471 3.851 9.025 1.00 0.00 N ATOM 1308 CZ ARG A 83 4.139 4.630 10.020 1.00 0.00 C ATOM 1309 NH1 ARG A 83 4.172 4.174 11.245 1.00 0.00 N ATOM 1310 NH2 ARG A 83 3.783 5.866 9.788 1.00 0.00 N ATOM 0 H ARG A 83 3.363 -0.449 5.593 1.00 0.00 H new ATOM 0 HA ARG A 83 5.532 -0.444 7.517 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.024 0.810 6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.792 0.016 8.511 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.619 1.204 9.531 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.291 1.678 7.983 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.129 3.037 7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.677 2.700 9.228 1.00 0.00 H new ATOM 0 HE ARG A 83 5.377 3.964 8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.457 3.211 11.423 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.913 4.781 12.022 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.765 6.221 8.832 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.523 6.476 10.563 1.00 0.00 H new ATOM 1324 N LYS A 84 3.163 -2.683 7.978 1.00 0.00 N ATOM 1325 CA LYS A 84 2.883 -3.936 8.742 1.00 0.00 C ATOM 1326 C LYS A 84 3.931 -4.993 8.384 1.00 0.00 C ATOM 1327 O LYS A 84 4.415 -5.713 9.237 1.00 0.00 O ATOM 1328 CB LYS A 84 1.488 -4.386 8.296 1.00 0.00 C ATOM 1329 CG LYS A 84 0.479 -4.105 9.411 1.00 0.00 C ATOM 1330 CD LYS A 84 0.243 -2.596 9.522 1.00 0.00 C ATOM 1331 CE LYS A 84 -0.690 -2.310 10.703 1.00 0.00 C ATOM 1332 NZ LYS A 84 -2.067 -2.363 10.131 1.00 0.00 N ATOM 0 H LYS A 84 2.461 -2.435 7.280 1.00 0.00 H new ATOM 0 HA LYS A 84 2.923 -3.785 9.821 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.198 -3.859 7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.496 -5.450 8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.461 -4.616 9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.850 -4.496 10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.192 -2.078 9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.195 -2.217 8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.563 -3.049 11.494 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.483 -1.334 11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.762 -2.176 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.161 -1.644 9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.239 -3.306 9.727 1.00 0.00 H new ATOM 1346 N ALA A 85 4.294 -5.072 7.125 1.00 0.00 N ATOM 1347 CA ALA A 85 5.324 -6.064 6.700 1.00 0.00 C ATOM 1348 C ALA A 85 6.689 -5.671 7.280 1.00 0.00 C ATOM 1349 O ALA A 85 7.481 -6.517 7.651 1.00 0.00 O ATOM 1350 CB ALA A 85 5.347 -5.992 5.172 1.00 0.00 C ATOM 0 H ALA A 85 3.919 -4.490 6.376 1.00 0.00 H new ATOM 0 HA ALA A 85 5.101 -7.072 7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.084 -6.696 4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.362 -6.246 4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.612 -4.982 4.859 1.00 0.00 H new ATOM 1356 N PHE A 86 6.957 -4.387 7.373 1.00 0.00 N ATOM 1357 CA PHE A 86 8.257 -3.922 7.946 1.00 0.00 C ATOM 1358 C PHE A 86 8.322 -4.279 9.437 1.00 0.00 C ATOM 1359 O PHE A 86 9.368 -4.621 9.955 1.00 0.00 O ATOM 1360 CB PHE A 86 8.265 -2.397 7.764 1.00 0.00 C ATOM 1361 CG PHE A 86 9.567 -1.955 7.136 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.788 -2.299 7.729 1.00 0.00 C ATOM 1363 CD2 PHE A 86 9.551 -1.192 5.962 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.991 -1.881 7.148 1.00 0.00 C ATOM 1365 CE2 PHE A 86 10.755 -0.774 5.382 1.00 0.00 C ATOM 1366 CZ PHE A 86 11.974 -1.118 5.975 1.00 0.00 C ATOM 0 H PHE A 86 6.327 -3.642 7.075 1.00 0.00 H new ATOM 0 HA PHE A 86 9.112 -4.389 7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.428 -2.094 7.135 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.133 -1.907 8.729 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.802 -2.887 8.635 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.610 -0.926 5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.933 -2.147 7.605 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.742 -0.186 4.476 1.00 0.00 H new ATOM 0 HZ PHE A 86 12.902 -0.795 5.528 1.00 0.00 H new ATOM 1376 N GLN A 87 7.202 -4.207 10.125 1.00 0.00 N ATOM 1377 CA GLN A 87 7.181 -4.548 11.582 1.00 0.00 C ATOM 1378 C GLN A 87 7.592 -6.014 11.790 1.00 0.00 C ATOM 1379 O GLN A 87 8.313 -6.337 12.716 1.00 0.00 O ATOM 1380 CB GLN A 87 5.728 -4.328 12.024 1.00 0.00 C ATOM 1381 CG GLN A 87 5.700 -3.598 13.370 1.00 0.00 C ATOM 1382 CD GLN A 87 4.250 -3.460 13.844 1.00 0.00 C ATOM 1383 OE1 GLN A 87 3.669 -4.407 14.337 1.00 0.00 O ATOM 1384 NE2 GLN A 87 3.636 -2.315 13.716 1.00 0.00 N ATOM 0 H GLN A 87 6.302 -3.926 9.736 1.00 0.00 H new ATOM 0 HA GLN A 87 7.877 -3.938 12.158 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.194 -3.746 11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.215 -5.286 12.109 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.284 -4.149 14.107 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.157 -2.613 13.272 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.122 -1.519 13.303 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.670 -2.216 14.029 1.00 0.00 H new ATOM 1393 N LYS A 88 7.142 -6.899 10.932 1.00 0.00 N ATOM 1394 CA LYS A 88 7.509 -8.341 11.076 1.00 0.00 C ATOM 1395 C LYS A 88 8.893 -8.598 10.467 1.00 0.00 C ATOM 1396 O LYS A 88 9.802 -9.045 11.139 1.00 0.00 O ATOM 1397 CB LYS A 88 6.428 -9.112 10.309 1.00 0.00 C ATOM 1398 CG LYS A 88 6.776 -10.605 10.295 1.00 0.00 C ATOM 1399 CD LYS A 88 5.524 -11.434 10.597 1.00 0.00 C ATOM 1400 CE LYS A 88 5.913 -12.686 11.396 1.00 0.00 C ATOM 1401 NZ LYS A 88 6.749 -13.505 10.468 1.00 0.00 N ATOM 0 H LYS A 88 6.537 -6.684 10.139 1.00 0.00 H new ATOM 0 HA LYS A 88 7.560 -8.650 12.120 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.456 -8.959 10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.353 -8.736 9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.182 -10.884 9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.549 -10.814 11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.809 -10.837 11.163 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.034 -11.722 9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.469 -12.421 12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.029 -13.237 11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.796 -14.484 10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.325 -13.494 9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.709 -13.108 10.423 1.00 0.00 H new ATOM 1415 N GLY A 89 9.055 -8.318 9.197 1.00 0.00 N ATOM 1416 CA GLY A 89 10.372 -8.540 8.535 1.00 0.00 C ATOM 1417 C GLY A 89 10.166 -9.099 7.122 1.00 0.00 C ATOM 1418 O GLY A 89 10.756 -10.096 6.753 1.00 0.00 O ATOM 0 H GLY A 89 8.326 -7.943 8.590 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.925 -7.602 8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.972 -9.234 9.125 1.00 0.00 H new ATOM 1422 N LEU A 90 9.340 -8.463 6.328 1.00 0.00 N ATOM 1423 CA LEU A 90 9.104 -8.955 4.937 1.00 0.00 C ATOM 1424 C LEU A 90 9.613 -7.929 3.916 1.00 0.00 C ATOM 1425 O LEU A 90 10.289 -8.275 2.967 1.00 0.00 O ATOM 1426 CB LEU A 90 7.586 -9.131 4.812 1.00 0.00 C ATOM 1427 CG LEU A 90 7.184 -10.560 5.204 1.00 0.00 C ATOM 1428 CD1 LEU A 90 5.693 -10.765 4.923 1.00 0.00 C ATOM 1429 CD2 LEU A 90 7.993 -11.573 4.387 1.00 0.00 C ATOM 0 H LEU A 90 8.819 -7.624 6.584 1.00 0.00 H new ATOM 0 HA LEU A 90 9.633 -9.888 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.075 -8.413 5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.272 -8.925 3.789 1.00 0.00 H new ATOM 0 HG LEU A 90 7.385 -10.708 6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.406 -11.779 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.111 -10.051 5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.498 -10.611 3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.702 -12.584 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.797 -11.423 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.056 -11.433 4.583 1.00 0.00 H new ATOM 1441 N ILE A 91 9.292 -6.671 4.105 1.00 0.00 N ATOM 1442 CA ILE A 91 9.758 -5.626 3.148 1.00 0.00 C ATOM 1443 C ILE A 91 10.873 -4.791 3.788 1.00 0.00 C ATOM 1444 O ILE A 91 10.619 -3.784 4.425 1.00 0.00 O ATOM 1445 CB ILE A 91 8.522 -4.762 2.855 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.451 -5.617 2.167 1.00 0.00 C ATOM 1447 CG2 ILE A 91 8.908 -3.600 1.934 1.00 0.00 C ATOM 1448 CD1 ILE A 91 6.114 -4.873 2.176 1.00 0.00 C ATOM 0 H ILE A 91 8.727 -6.326 4.881 1.00 0.00 H new ATOM 0 HA ILE A 91 10.168 -6.054 2.233 1.00 0.00 H new ATOM 0 HB ILE A 91 8.131 -4.367 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.750 -5.836 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.350 -6.573 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.028 -2.990 1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.668 -2.988 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.303 -3.994 0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.355 -5.483 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.814 -4.677 3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.220 -3.928 1.643 1.00 0.00 H new ATOM 1460 N SER A 92 12.106 -5.201 3.621 1.00 0.00 N ATOM 1461 CA SER A 92 13.245 -4.431 4.210 1.00 0.00 C ATOM 1462 C SER A 92 13.435 -3.122 3.438 1.00 0.00 C ATOM 1463 O SER A 92 12.932 -2.961 2.341 1.00 0.00 O ATOM 1464 CB SER A 92 14.477 -5.326 4.045 1.00 0.00 C ATOM 1465 OG SER A 92 14.205 -6.612 4.588 1.00 0.00 O ATOM 0 H SER A 92 12.373 -6.037 3.101 1.00 0.00 H new ATOM 0 HA SER A 92 13.071 -4.177 5.256 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.738 -5.413 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.334 -4.880 4.550 1.00 0.00 H new ATOM 0 HG SER A 92 14.503 -7.302 3.960 1.00 0.00 H new ATOM 1471 N GLN A 93 14.158 -2.188 4.001 1.00 0.00 N ATOM 1472 CA GLN A 93 14.385 -0.887 3.300 1.00 0.00 C ATOM 1473 C GLN A 93 15.099 -1.126 1.962 1.00 0.00 C ATOM 1474 O GLN A 93 14.662 -0.658 0.927 1.00 0.00 O ATOM 1475 CB GLN A 93 15.266 -0.066 4.249 1.00 0.00 C ATOM 1476 CG GLN A 93 15.439 1.355 3.699 1.00 0.00 C ATOM 1477 CD GLN A 93 16.728 1.435 2.878 1.00 0.00 C ATOM 1478 OE1 GLN A 93 17.795 1.119 3.366 1.00 0.00 O ATOM 1479 NE2 GLN A 93 16.677 1.846 1.640 1.00 0.00 N ATOM 0 H GLN A 93 14.601 -2.269 4.916 1.00 0.00 H new ATOM 0 HA GLN A 93 13.452 -0.372 3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.813 -0.030 5.240 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.239 -0.544 4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 93 14.584 1.622 3.078 1.00 0.00 H new ATOM 0 HG3 GLN A 93 15.474 2.072 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.783 2.112 1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 93 17.531 1.901 1.085 1.00 0.00 H new ATOM 1488 N GLN A 94 16.189 -1.856 1.983 1.00 0.00 N ATOM 1489 CA GLN A 94 16.939 -2.139 0.717 1.00 0.00 C ATOM 1490 C GLN A 94 16.077 -2.977 -0.237 1.00 0.00 C ATOM 1491 O GLN A 94 16.043 -2.732 -1.430 1.00 0.00 O ATOM 1492 CB GLN A 94 18.182 -2.928 1.149 1.00 0.00 C ATOM 1493 CG GLN A 94 19.437 -2.291 0.544 1.00 0.00 C ATOM 1494 CD GLN A 94 20.472 -2.041 1.647 1.00 0.00 C ATOM 1495 OE1 GLN A 94 20.847 -2.948 2.363 1.00 0.00 O ATOM 1496 NE2 GLN A 94 20.954 -0.839 1.814 1.00 0.00 N ATOM 0 H GLN A 94 16.593 -2.269 2.824 1.00 0.00 H new ATOM 0 HA GLN A 94 17.204 -1.224 0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.257 -2.940 2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 94 18.097 -3.965 0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 94 19.856 -2.945 -0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 94 19.180 -1.352 0.054 1.00 0.00 H new ATOM 0 HE21 GLN A 94 20.641 -0.076 1.214 1.00 0.00 H new ATOM 0 HE22 GLN A 94 21.644 -0.663 2.544 1.00 0.00 H new ATOM 1505 N GLU A 95 15.378 -3.958 0.281 1.00 0.00 N ATOM 1506 CA GLU A 95 14.510 -4.811 -0.591 1.00 0.00 C ATOM 1507 C GLU A 95 13.465 -3.944 -1.300 1.00 0.00 C ATOM 1508 O GLU A 95 13.197 -4.122 -2.474 1.00 0.00 O ATOM 1509 CB GLU A 95 13.831 -5.804 0.357 1.00 0.00 C ATOM 1510 CG GLU A 95 14.499 -7.177 0.232 1.00 0.00 C ATOM 1511 CD GLU A 95 15.529 -7.353 1.354 1.00 0.00 C ATOM 1512 OE1 GLU A 95 16.560 -6.701 1.293 1.00 0.00 O ATOM 1513 OE2 GLU A 95 15.269 -8.133 2.255 1.00 0.00 O ATOM 0 H GLU A 95 15.371 -4.205 1.271 1.00 0.00 H new ATOM 0 HA GLU A 95 15.082 -5.322 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.901 -5.447 1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.770 -5.882 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.747 -7.965 0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.985 -7.269 -0.739 1.00 0.00 H new ATOM 1520 N ALA A 96 12.884 -2.998 -0.600 1.00 0.00 N ATOM 1521 CA ALA A 96 11.868 -2.109 -1.240 1.00 0.00 C ATOM 1522 C ALA A 96 12.515 -1.331 -2.390 1.00 0.00 C ATOM 1523 O ALA A 96 11.940 -1.199 -3.456 1.00 0.00 O ATOM 1524 CB ALA A 96 11.400 -1.160 -0.132 1.00 0.00 C ATOM 0 H ALA A 96 13.070 -2.805 0.384 1.00 0.00 H new ATOM 0 HA ALA A 96 11.032 -2.668 -1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.651 -0.476 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.966 -1.739 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.250 -0.589 0.241 1.00 0.00 H new ATOM 1530 N ASN A 97 13.717 -0.837 -2.191 1.00 0.00 N ATOM 1531 CA ASN A 97 14.411 -0.091 -3.284 1.00 0.00 C ATOM 1532 C ASN A 97 14.656 -1.028 -4.471 1.00 0.00 C ATOM 1533 O ASN A 97 14.452 -0.660 -5.613 1.00 0.00 O ATOM 1534 CB ASN A 97 15.741 0.380 -2.683 1.00 0.00 C ATOM 1535 CG ASN A 97 16.675 0.846 -3.807 1.00 0.00 C ATOM 1536 OD1 ASN A 97 16.415 1.841 -4.456 1.00 0.00 O ATOM 1537 ND2 ASN A 97 17.755 0.162 -4.071 1.00 0.00 N ATOM 0 H ASN A 97 14.243 -0.920 -1.321 1.00 0.00 H new ATOM 0 HA ASN A 97 13.822 0.750 -3.649 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.566 1.195 -1.980 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.206 -0.431 -2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.379 0.462 -4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 97 17.975 -0.673 -3.528 1.00 0.00 H new ATOM 1544 N GLN A 98 15.078 -2.243 -4.205 1.00 0.00 N ATOM 1545 CA GLN A 98 15.324 -3.213 -5.316 1.00 0.00 C ATOM 1546 C GLN A 98 14.021 -3.452 -6.088 1.00 0.00 C ATOM 1547 O GLN A 98 14.016 -3.523 -7.301 1.00 0.00 O ATOM 1548 CB GLN A 98 15.802 -4.506 -4.644 1.00 0.00 C ATOM 1549 CG GLN A 98 17.218 -4.840 -5.124 1.00 0.00 C ATOM 1550 CD GLN A 98 17.148 -5.647 -6.424 1.00 0.00 C ATOM 1551 OE1 GLN A 98 17.409 -6.834 -6.431 1.00 0.00 O ATOM 1552 NE2 GLN A 98 16.804 -5.051 -7.535 1.00 0.00 N ATOM 0 H GLN A 98 15.262 -2.602 -3.268 1.00 0.00 H new ATOM 0 HA GLN A 98 16.062 -2.845 -6.028 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.792 -4.390 -3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 98 15.123 -5.325 -4.883 1.00 0.00 H new ATOM 0 HG2 GLN A 98 17.783 -3.922 -5.285 1.00 0.00 H new ATOM 0 HG3 GLN A 98 17.746 -5.410 -4.359 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.584 -4.055 -7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.755 -5.582 -8.405 1.00 0.00 H new ATOM 1561 N TRP A 99 12.917 -3.554 -5.386 1.00 0.00 N ATOM 1562 CA TRP A 99 11.605 -3.764 -6.069 1.00 0.00 C ATOM 1563 C TRP A 99 11.261 -2.531 -6.914 1.00 0.00 C ATOM 1564 O TRP A 99 10.732 -2.640 -8.005 1.00 0.00 O ATOM 1565 CB TRP A 99 10.590 -3.945 -4.936 1.00 0.00 C ATOM 1566 CG TRP A 99 9.258 -4.306 -5.514 1.00 0.00 C ATOM 1567 CD1 TRP A 99 9.003 -5.413 -6.246 1.00 0.00 C ATOM 1568 CD2 TRP A 99 8.002 -3.577 -5.422 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.672 -5.404 -6.621 1.00 0.00 N ATOM 1570 CE2 TRP A 99 7.012 -4.294 -6.134 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.628 -2.375 -4.798 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 5.700 -3.832 -6.224 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.309 -1.910 -4.884 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.346 -2.636 -5.597 1.00 0.00 C ATOM 0 H TRP A 99 12.870 -3.501 -4.368 1.00 0.00 H new ATOM 0 HA TRP A 99 11.614 -4.623 -6.740 1.00 0.00 H new ATOM 0 HB2 TRP A 99 10.926 -4.726 -4.253 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.510 -3.026 -4.355 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.721 -6.179 -6.497 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.232 -6.129 -7.188 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.362 -1.805 -4.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.962 -4.396 -6.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.033 -0.986 -4.398 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.332 -2.271 -5.661 1.00 0.00 H new ATOM 1585 N LEU A 100 11.566 -1.360 -6.409 1.00 0.00 N ATOM 1586 CA LEU A 100 11.274 -0.102 -7.170 1.00 0.00 C ATOM 1587 C LEU A 100 12.114 -0.050 -8.453 1.00 0.00 C ATOM 1588 O LEU A 100 11.643 0.380 -9.492 1.00 0.00 O ATOM 1589 CB LEU A 100 11.668 1.052 -6.237 1.00 0.00 C ATOM 1590 CG LEU A 100 10.532 1.335 -5.251 1.00 0.00 C ATOM 1591 CD1 LEU A 100 11.119 1.795 -3.914 1.00 0.00 C ATOM 1592 CD2 LEU A 100 9.630 2.437 -5.813 1.00 0.00 C ATOM 0 H LEU A 100 12.006 -1.220 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 100 10.226 -0.046 -7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.578 0.798 -5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.885 1.946 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 100 9.949 0.427 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.310 1.997 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.763 1.013 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.702 2.703 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.821 2.638 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.215 3.345 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.211 2.114 -6.766 1.00 0.00 H new