USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 846 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 37 ASN : amide:sc= 2.12 K(o=-0.78,f=-6.1) USER MOD Set 1.2: A 77 HIS : no HE2:sc= -2.55 K(o=-0.78,f=-12!) USER MOD Set 1.3: A 81 HIS : no HE2:sc= 2.07 K(o=-0.78,f=-20!) USER MOD Set 1.4: A 100 HIS : no HE2:sc= -2.41 K(o=-0.78,f=-16!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.023) USER MOD Single : A 13 GLN : amide:sc= -0.0989 K(o=-0.099,f=-0.74) USER MOD Single : A 16 LYS NZ :NH3+ -137:sc= -0.362 (180deg=-1.88!) USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= -0.0082 (180deg=-0.149) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.18) USER MOD Single : A 24 LYS NZ :NH3+ -116:sc= 0.171 (180deg=-0.0867) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.598 X(o=-0.6,f=-1) USER MOD Single : A 38 GLN : amide:sc= -0.74 X(o=-0.74,f=-0.3) USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= 1.26 (180deg=1.13) USER MOD Single : A 45 LYS NZ :NH3+ -139:sc= 0.44 (180deg=-0.806) USER MOD Single : A 46 GLN : amide:sc= -0.0605 K(o=-0.061,f=-0.67) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= -0.0023 (180deg=-0.0794) USER MOD Single : A 51 TYR OH : rot 44:sc= 0.846 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -133:sc= 0.339 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.479 K(o=-0.48,f=-1.4) USER MOD Single : A 69 LYS NZ :NH3+ -154:sc= 1.23 (180deg=0.985) USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0277) USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= 0.54 (180deg=0.302) USER MOD Single : A 92 GLN : amide:sc= -0.837 K(o=-0.84,f=-1.5) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.25) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 102 GLN : amide:sc= -0.975 K(o=-0.98,f=-5.5!) USER MOD Single : A 105 GLN : amide:sc= -2.5! K(o=-2.5!,f=-0.78) USER MOD Single : A 107 HIS : no HE2:sc= -2.4! C(o=-2.1!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 7 -10.134 -7.415 -3.225 1.00 0.00 N ATOM 106 CA LEU A 7 -9.412 -6.694 -2.167 1.00 0.00 C ATOM 107 C LEU A 7 -7.921 -6.574 -2.478 1.00 0.00 C ATOM 108 O LEU A 7 -7.264 -5.621 -2.052 1.00 0.00 O ATOM 109 CB LEU A 7 -9.588 -7.389 -0.813 1.00 0.00 C ATOM 110 CG LEU A 7 -10.996 -7.345 -0.226 1.00 0.00 C ATOM 111 CD1 LEU A 7 -11.035 -8.065 1.112 1.00 0.00 C ATOM 112 CD2 LEU A 7 -11.468 -5.911 -0.071 1.00 0.00 C ATOM 0 HA LEU A 7 -9.840 -5.693 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.291 -8.432 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.902 -6.933 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.671 -7.854 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.046 -8.025 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.741 -9.105 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.346 -7.582 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.474 -5.902 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.792 -5.375 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.478 -5.424 -1.046 1.00 0.00 H new ATOM 124 N LEU A 8 -7.398 -7.548 -3.221 1.00 0.00 N ATOM 125 CA LEU A 8 -5.985 -7.583 -3.586 1.00 0.00 C ATOM 126 C LEU A 8 -5.573 -6.342 -4.362 1.00 0.00 C ATOM 127 O LEU A 8 -4.425 -5.907 -4.281 1.00 0.00 O ATOM 128 CB LEU A 8 -5.682 -8.827 -4.426 1.00 0.00 C ATOM 129 CG LEU A 8 -5.767 -10.156 -3.678 1.00 0.00 C ATOM 130 CD1 LEU A 8 -5.507 -11.318 -4.622 1.00 0.00 C ATOM 131 CD2 LEU A 8 -4.775 -10.176 -2.528 1.00 0.00 C ATOM 0 H LEU A 8 -7.940 -8.332 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.413 -7.615 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.377 -8.856 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.680 -8.728 -4.844 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.774 -10.262 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.572 -12.256 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.251 -11.313 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.511 -11.220 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.846 -11.129 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.765 -10.050 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.002 -9.364 -1.838 1.00 0.00 H new ATOM 143 N LYS A 9 -6.521 -5.761 -5.092 1.00 0.00 N ATOM 144 CA LYS A 9 -6.228 -4.657 -6.000 1.00 0.00 C ATOM 145 C LYS A 9 -5.577 -3.485 -5.280 1.00 0.00 C ATOM 146 O LYS A 9 -4.722 -2.815 -5.844 1.00 0.00 O ATOM 147 CB LYS A 9 -7.505 -4.170 -6.681 1.00 0.00 C ATOM 148 CG LYS A 9 -8.168 -5.201 -7.577 1.00 0.00 C ATOM 149 CD LYS A 9 -9.431 -4.636 -8.199 1.00 0.00 C ATOM 150 CE LYS A 9 -10.105 -5.638 -9.117 1.00 0.00 C ATOM 151 NZ LYS A 9 -11.279 -5.041 -9.802 1.00 0.00 N ATOM 0 H LYS A 9 -7.502 -6.038 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.529 -5.038 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.216 -3.861 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.272 -3.286 -7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.476 -5.508 -8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.409 -6.093 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.124 -4.342 -7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.187 -3.735 -8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.390 -5.992 -9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.422 -6.507 -8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.717 -5.752 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.971 -4.726 -9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.972 -4.227 -10.372 1.00 0.00 H new ATOM 165 N ALA A 10 -5.966 -3.249 -4.034 1.00 0.00 N ATOM 166 CA ALA A 10 -5.449 -2.106 -3.290 1.00 0.00 C ATOM 167 C ALA A 10 -3.947 -2.230 -3.055 1.00 0.00 C ATOM 168 O ALA A 10 -3.188 -1.304 -3.340 1.00 0.00 O ATOM 169 CB ALA A 10 -6.181 -1.970 -1.967 1.00 0.00 C ATOM 0 H ALA A 10 -6.631 -3.827 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.620 -1.210 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.787 -1.114 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.245 -1.824 -2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.037 -2.875 -1.377 1.00 0.00 H new ATOM 175 N GLU A 11 -3.519 -3.393 -2.575 1.00 0.00 N ATOM 176 CA GLU A 11 -2.103 -3.639 -2.330 1.00 0.00 C ATOM 177 C GLU A 11 -1.343 -3.756 -3.646 1.00 0.00 C ATOM 178 O GLU A 11 -0.229 -3.250 -3.776 1.00 0.00 O ATOM 179 CB GLU A 11 -1.910 -4.902 -1.484 1.00 0.00 C ATOM 180 CG GLU A 11 -2.401 -4.757 -0.048 1.00 0.00 C ATOM 181 CD GLU A 11 -1.556 -3.797 0.774 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.589 -2.591 0.530 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.834 -4.240 1.688 1.00 0.00 O ATOM 0 H GLU A 11 -4.130 -4.177 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.702 -2.791 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.437 -5.730 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.852 -5.163 -1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.434 -4.408 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.399 -5.736 0.431 1.00 0.00 H new ATOM 190 N GLN A 12 -1.956 -4.411 -4.631 1.00 0.00 N ATOM 191 CA GLN A 12 -1.340 -4.570 -5.941 1.00 0.00 C ATOM 192 C GLN A 12 -1.113 -3.209 -6.597 1.00 0.00 C ATOM 193 O GLN A 12 -0.034 -2.935 -7.124 1.00 0.00 O ATOM 194 CB GLN A 12 -2.222 -5.439 -6.842 1.00 0.00 C ATOM 195 CG GLN A 12 -2.417 -6.866 -6.344 1.00 0.00 C ATOM 196 CD GLN A 12 -1.128 -7.662 -6.273 1.00 0.00 C ATOM 197 OE1 GLN A 12 -0.723 -8.297 -7.246 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.486 -7.653 -5.116 1.00 0.00 N ATOM 0 H GLN A 12 -2.878 -4.839 -4.544 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.376 -5.060 -5.807 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.198 -4.965 -6.940 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.782 -5.472 -7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.873 -6.838 -5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.117 -7.380 -7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.854 -7.114 -4.333 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.377 -8.185 -5.008 1.00 0.00 H new ATOM 207 N GLN A 13 -2.132 -2.359 -6.546 1.00 0.00 N ATOM 208 CA GLN A 13 -2.068 -1.034 -7.150 1.00 0.00 C ATOM 209 C GLN A 13 -1.040 -0.168 -6.432 1.00 0.00 C ATOM 210 O GLN A 13 -0.253 0.530 -7.070 1.00 0.00 O ATOM 211 CB GLN A 13 -3.443 -0.362 -7.100 1.00 0.00 C ATOM 212 CG GLN A 13 -3.552 0.901 -7.944 1.00 0.00 C ATOM 213 CD GLN A 13 -3.372 0.638 -9.430 1.00 0.00 C ATOM 214 OE1 GLN A 13 -3.685 -0.442 -9.927 1.00 0.00 O ATOM 215 NE2 GLN A 13 -2.880 1.630 -10.153 1.00 0.00 N ATOM 0 H GLN A 13 -3.020 -2.567 -6.088 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.765 -1.145 -8.191 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.196 -1.075 -7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.677 -0.115 -6.064 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.526 1.360 -7.777 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.801 1.618 -7.614 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.631 2.512 -9.706 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.749 1.513 -11.158 1.00 0.00 H new ATOM 224 N GLY A 14 -1.050 -0.227 -5.103 1.00 0.00 N ATOM 225 CA GLY A 14 -0.101 0.539 -4.320 1.00 0.00 C ATOM 226 C GLY A 14 1.331 0.189 -4.664 1.00 0.00 C ATOM 227 O GLY A 14 2.149 1.077 -4.901 1.00 0.00 O ATOM 0 H GLY A 14 -1.699 -0.792 -4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.265 1.603 -4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.274 0.356 -3.260 1.00 0.00 H new ATOM 231 N ILE A 15 1.622 -1.105 -4.735 1.00 0.00 N ATOM 232 CA ILE A 15 2.956 -1.569 -5.096 1.00 0.00 C ATOM 233 C ILE A 15 3.302 -1.156 -6.525 1.00 0.00 C ATOM 234 O ILE A 15 4.434 -0.762 -6.807 1.00 0.00 O ATOM 235 CB ILE A 15 3.085 -3.105 -4.949 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.866 -3.515 -3.489 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.447 -3.585 -5.439 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.915 -5.010 -3.259 1.00 0.00 C ATOM 0 H ILE A 15 0.952 -1.851 -4.547 1.00 0.00 H new ATOM 0 HA ILE A 15 3.659 -1.101 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 15 2.319 -3.576 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.625 -3.037 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.899 -3.137 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.514 -4.667 -5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.569 -3.322 -6.490 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.233 -3.110 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.752 -5.221 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.138 -5.495 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.891 -5.392 -3.559 1.00 0.00 H new ATOM 250 N LYS A 16 2.319 -1.232 -7.416 1.00 0.00 N ATOM 251 CA LYS A 16 2.510 -0.849 -8.811 1.00 0.00 C ATOM 252 C LYS A 16 2.973 0.607 -8.892 1.00 0.00 C ATOM 253 O LYS A 16 3.941 0.923 -9.586 1.00 0.00 O ATOM 254 CB LYS A 16 1.199 -1.050 -9.590 1.00 0.00 C ATOM 255 CG LYS A 16 1.352 -1.130 -11.109 1.00 0.00 C ATOM 256 CD LYS A 16 1.619 0.228 -11.750 1.00 0.00 C ATOM 257 CE LYS A 16 1.634 0.129 -13.270 1.00 0.00 C ATOM 258 NZ LYS A 16 1.880 1.444 -13.923 1.00 0.00 N ATOM 0 H LYS A 16 1.378 -1.557 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 16 3.278 -1.479 -9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.723 -1.966 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.523 -0.229 -9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.170 -1.808 -11.352 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.446 -1.557 -11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.853 0.937 -11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.575 0.616 -11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.406 -0.576 -13.578 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.681 -0.272 -13.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.238 1.555 -14.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.709 2.209 -13.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.865 1.489 -14.253 1.00 0.00 H new ATOM 272 N ILE A 17 2.296 1.478 -8.152 1.00 0.00 N ATOM 273 CA ILE A 17 2.629 2.898 -8.136 1.00 0.00 C ATOM 274 C ILE A 17 4.006 3.125 -7.510 1.00 0.00 C ATOM 275 O ILE A 17 4.741 4.028 -7.918 1.00 0.00 O ATOM 276 CB ILE A 17 1.562 3.717 -7.374 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.179 3.488 -7.990 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.910 5.200 -7.400 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.945 4.161 -7.233 1.00 0.00 C ATOM 0 H ILE A 17 1.510 1.224 -7.553 1.00 0.00 H new ATOM 0 HA ILE A 17 2.650 3.241 -9.170 1.00 0.00 H new ATOM 0 HB ILE A 17 1.544 3.383 -6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.184 3.854 -9.017 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.016 2.416 -8.035 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.149 5.762 -6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.880 5.355 -6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.951 5.546 -8.433 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.893 3.954 -7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.978 3.778 -6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.775 5.237 -7.211 1.00 0.00 H new ATOM 291 N LEU A 18 4.358 2.295 -6.531 1.00 0.00 N ATOM 292 CA LEU A 18 5.665 2.382 -5.884 1.00 0.00 C ATOM 293 C LEU A 18 6.796 2.231 -6.905 1.00 0.00 C ATOM 294 O LEU A 18 7.807 2.931 -6.826 1.00 0.00 O ATOM 295 CB LEU A 18 5.799 1.323 -4.783 1.00 0.00 C ATOM 296 CG LEU A 18 4.821 1.460 -3.609 1.00 0.00 C ATOM 297 CD1 LEU A 18 5.017 0.324 -2.620 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.988 2.805 -2.913 1.00 0.00 C ATOM 0 H LEU A 18 3.757 1.555 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 18 5.745 3.369 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.664 0.339 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.816 1.358 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 18 3.807 1.407 -4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.316 0.436 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.839 -0.628 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.037 0.348 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.283 2.876 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.005 2.894 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.795 3.609 -3.624 1.00 0.00 H new ATOM 310 N LYS A 19 6.621 1.330 -7.873 1.00 0.00 N ATOM 311 CA LYS A 19 7.612 1.161 -8.935 1.00 0.00 C ATOM 312 C LYS A 19 7.692 2.411 -9.806 1.00 0.00 C ATOM 313 O LYS A 19 8.776 2.815 -10.221 1.00 0.00 O ATOM 314 CB LYS A 19 7.306 -0.057 -9.820 1.00 0.00 C ATOM 315 CG LYS A 19 7.734 -1.394 -9.228 1.00 0.00 C ATOM 316 CD LYS A 19 6.586 -2.109 -8.537 1.00 0.00 C ATOM 317 CE LYS A 19 5.487 -2.495 -9.519 1.00 0.00 C ATOM 318 NZ LYS A 19 5.953 -3.479 -10.534 1.00 0.00 N ATOM 0 H LYS A 19 5.812 0.713 -7.943 1.00 0.00 H new ATOM 0 HA LYS A 19 8.572 0.996 -8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.234 -0.088 -10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.802 0.075 -10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.132 -2.029 -10.019 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.541 -1.232 -8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.961 -3.004 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.171 -1.465 -7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.644 -2.915 -8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.124 -1.600 -10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.134 -3.863 -11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.593 -3.008 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.459 -4.254 -10.060 1.00 0.00 H new ATOM 332 N GLU A 20 6.540 3.025 -10.066 1.00 0.00 N ATOM 333 CA GLU A 20 6.473 4.230 -10.894 1.00 0.00 C ATOM 334 C GLU A 20 7.253 5.359 -10.238 1.00 0.00 C ATOM 335 O GLU A 20 7.959 6.118 -10.901 1.00 0.00 O ATOM 336 CB GLU A 20 5.017 4.659 -11.082 1.00 0.00 C ATOM 337 CG GLU A 20 4.095 3.527 -11.499 1.00 0.00 C ATOM 338 CD GLU A 20 4.435 2.957 -12.858 1.00 0.00 C ATOM 339 OE1 GLU A 20 5.302 2.068 -12.939 1.00 0.00 O ATOM 340 OE2 GLU A 20 3.811 3.383 -13.851 1.00 0.00 O ATOM 0 H GLU A 20 5.637 2.708 -9.715 1.00 0.00 H new ATOM 0 HA GLU A 20 6.911 4.008 -11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.651 5.089 -10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.974 5.446 -11.834 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.145 2.732 -10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.067 3.889 -11.510 1.00 0.00 H new ATOM 347 N VAL A 21 7.114 5.454 -8.925 1.00 0.00 N ATOM 348 CA VAL A 21 7.819 6.451 -8.140 1.00 0.00 C ATOM 349 C VAL A 21 9.328 6.268 -8.259 1.00 0.00 C ATOM 350 O VAL A 21 10.067 7.231 -8.470 1.00 0.00 O ATOM 351 CB VAL A 21 7.404 6.378 -6.659 1.00 0.00 C ATOM 352 CG1 VAL A 21 8.210 7.351 -5.827 1.00 0.00 C ATOM 353 CG2 VAL A 21 5.917 6.652 -6.504 1.00 0.00 C ATOM 0 H VAL A 21 6.510 4.843 -8.376 1.00 0.00 H new ATOM 0 HA VAL A 21 7.550 7.431 -8.534 1.00 0.00 H new ATOM 0 HB VAL A 21 7.608 5.369 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.900 7.282 -4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.269 7.108 -5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.042 8.365 -6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.645 6.596 -5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.689 7.647 -6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.350 5.910 -7.066 1.00 0.00 H new ATOM 363 N LEU A 22 9.775 5.026 -8.139 1.00 0.00 N ATOM 364 CA LEU A 22 11.195 4.708 -8.236 1.00 0.00 C ATOM 365 C LEU A 22 11.749 5.111 -9.598 1.00 0.00 C ATOM 366 O LEU A 22 12.877 5.598 -9.699 1.00 0.00 O ATOM 367 CB LEU A 22 11.419 3.212 -8.001 1.00 0.00 C ATOM 368 CG LEU A 22 11.027 2.706 -6.610 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.200 1.197 -6.523 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.857 3.397 -5.540 1.00 0.00 C ATOM 0 H LEU A 22 9.174 4.219 -7.974 1.00 0.00 H new ATOM 0 HA LEU A 22 11.724 5.272 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.852 2.654 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.472 2.988 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 22 9.977 2.943 -6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.917 0.855 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.566 0.715 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.242 0.939 -6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.566 3.026 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.914 3.189 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.688 4.473 -5.586 1.00 0.00 H new ATOM 382 N LYS A 23 10.945 4.915 -10.640 1.00 0.00 N ATOM 383 CA LYS A 23 11.344 5.275 -11.994 1.00 0.00 C ATOM 384 C LYS A 23 11.620 6.769 -12.097 1.00 0.00 C ATOM 385 O LYS A 23 12.661 7.187 -12.611 1.00 0.00 O ATOM 386 CB LYS A 23 10.245 4.908 -12.989 1.00 0.00 C ATOM 387 CG LYS A 23 9.932 3.426 -13.057 1.00 0.00 C ATOM 388 CD LYS A 23 8.711 3.173 -13.921 1.00 0.00 C ATOM 389 CE LYS A 23 8.385 1.692 -14.017 1.00 0.00 C ATOM 390 NZ LYS A 23 7.153 1.451 -14.810 1.00 0.00 N ATOM 0 H LYS A 23 10.012 4.508 -10.570 1.00 0.00 H new ATOM 0 HA LYS A 23 12.253 4.722 -12.230 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.336 5.447 -12.723 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.540 5.251 -13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.788 2.887 -13.463 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.759 3.040 -12.053 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.856 3.707 -13.507 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.884 3.573 -14.920 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.222 1.164 -14.475 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.259 1.281 -13.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.132 0.461 -15.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.318 1.643 -14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.145 2.080 -15.638 1.00 0.00 H new ATOM 404 N LYS A 24 10.692 7.568 -11.588 1.00 0.00 N ATOM 405 CA LYS A 24 10.784 9.014 -11.706 1.00 0.00 C ATOM 406 C LYS A 24 11.885 9.560 -10.810 1.00 0.00 C ATOM 407 O LYS A 24 12.575 10.515 -11.174 1.00 0.00 O ATOM 408 CB LYS A 24 9.448 9.668 -11.352 1.00 0.00 C ATOM 409 CG LYS A 24 9.371 11.153 -11.688 1.00 0.00 C ATOM 410 CD LYS A 24 9.062 11.403 -13.161 1.00 0.00 C ATOM 411 CE LYS A 24 10.209 11.018 -14.085 1.00 0.00 C ATOM 412 NZ LYS A 24 9.856 11.208 -15.520 1.00 0.00 N ATOM 0 H LYS A 24 9.866 7.237 -11.089 1.00 0.00 H new ATOM 0 HA LYS A 24 11.029 9.253 -12.741 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.650 9.146 -11.879 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.264 9.538 -10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.602 11.622 -11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.317 11.630 -11.433 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.173 10.838 -13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.827 12.458 -13.303 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.086 11.619 -13.845 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.480 9.976 -13.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.859 10.287 -16.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.910 11.633 -15.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.553 11.836 -15.969 1.00 0.00 H new ATOM 426 N ALA A 25 12.050 8.945 -9.645 1.00 0.00 N ATOM 427 CA ALA A 25 13.082 9.351 -8.702 1.00 0.00 C ATOM 428 C ALA A 25 14.471 9.213 -9.317 1.00 0.00 C ATOM 429 O ALA A 25 15.319 10.087 -9.152 1.00 0.00 O ATOM 430 CB ALA A 25 12.984 8.535 -7.425 1.00 0.00 C ATOM 0 H ALA A 25 11.479 8.160 -9.331 1.00 0.00 H new ATOM 0 HA ALA A 25 12.923 10.402 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.763 8.851 -6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.006 8.689 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.113 7.478 -7.658 1.00 0.00 H new ATOM 436 N LYS A 26 14.693 8.115 -10.034 1.00 0.00 N ATOM 437 CA LYS A 26 15.975 7.879 -10.688 1.00 0.00 C ATOM 438 C LYS A 26 16.164 8.800 -11.893 1.00 0.00 C ATOM 439 O LYS A 26 17.284 9.018 -12.348 1.00 0.00 O ATOM 440 CB LYS A 26 16.105 6.412 -11.105 1.00 0.00 C ATOM 441 CG LYS A 26 16.199 5.450 -9.927 1.00 0.00 C ATOM 442 CD LYS A 26 17.411 5.754 -9.058 1.00 0.00 C ATOM 443 CE LYS A 26 17.515 4.792 -7.883 1.00 0.00 C ATOM 444 NZ LYS A 26 18.703 5.076 -7.031 1.00 0.00 N ATOM 0 H LYS A 26 14.004 7.377 -10.176 1.00 0.00 H new ATOM 0 HA LYS A 26 16.762 8.107 -9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.246 6.140 -11.718 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.991 6.297 -11.729 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.292 5.518 -9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.261 4.426 -10.295 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.317 5.691 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.346 6.777 -8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.611 4.860 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.573 3.769 -8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.735 4.398 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.568 4.986 -7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.636 6.043 -6.653 1.00 0.00 H new ATOM 458 N GLU A 27 15.064 9.334 -12.414 1.00 0.00 N ATOM 459 CA GLU A 27 15.133 10.318 -13.489 1.00 0.00 C ATOM 460 C GLU A 27 15.399 11.705 -12.911 1.00 0.00 C ATOM 461 O GLU A 27 15.850 12.612 -13.614 1.00 0.00 O ATOM 462 CB GLU A 27 13.838 10.329 -14.301 1.00 0.00 C ATOM 463 CG GLU A 27 13.598 9.055 -15.095 1.00 0.00 C ATOM 464 CD GLU A 27 12.327 9.116 -15.918 1.00 0.00 C ATOM 465 OE1 GLU A 27 12.291 9.879 -16.901 1.00 0.00 O ATOM 466 OE2 GLU A 27 11.356 8.401 -15.591 1.00 0.00 O ATOM 0 H GLU A 27 14.118 9.103 -12.111 1.00 0.00 H new ATOM 0 HA GLU A 27 15.952 10.043 -14.154 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.998 10.488 -13.625 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.859 11.175 -14.988 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.447 8.877 -15.755 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.544 8.209 -14.410 1.00 0.00 H new ATOM 473 N GLY A 28 15.108 11.862 -11.626 1.00 0.00 N ATOM 474 CA GLY A 28 15.354 13.118 -10.950 1.00 0.00 C ATOM 475 C GLY A 28 14.307 14.165 -11.267 1.00 0.00 C ATOM 476 O GLY A 28 14.575 15.362 -11.186 1.00 0.00 O ATOM 0 H GLY A 28 14.703 11.134 -11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.378 12.948 -9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 28 16.336 13.494 -11.236 1.00 0.00 H new ATOM 480 N ASP A 29 13.109 13.721 -11.628 1.00 0.00 N ATOM 481 CA ASP A 29 12.031 14.648 -11.946 1.00 0.00 C ATOM 482 C ASP A 29 11.070 14.756 -10.771 1.00 0.00 C ATOM 483 O ASP A 29 10.548 13.753 -10.289 1.00 0.00 O ATOM 484 CB ASP A 29 11.271 14.214 -13.196 1.00 0.00 C ATOM 485 CG ASP A 29 10.193 15.210 -13.577 1.00 0.00 C ATOM 486 OD1 ASP A 29 10.491 16.146 -14.349 1.00 0.00 O ATOM 487 OD2 ASP A 29 9.044 15.064 -13.106 1.00 0.00 O ATOM 0 H ASP A 29 12.861 12.735 -11.707 1.00 0.00 H new ATOM 0 HA ASP A 29 12.478 15.623 -12.142 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.970 14.101 -14.025 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.819 13.237 -13.025 1.00 0.00 H new ATOM 492 N GLU A 30 10.836 15.976 -10.326 1.00 0.00 N ATOM 493 CA GLU A 30 10.049 16.217 -9.128 1.00 0.00 C ATOM 494 C GLU A 30 8.589 16.493 -9.469 1.00 0.00 C ATOM 495 O GLU A 30 7.733 16.538 -8.582 1.00 0.00 O ATOM 496 CB GLU A 30 10.643 17.403 -8.377 1.00 0.00 C ATOM 497 CG GLU A 30 12.118 17.227 -8.043 1.00 0.00 C ATOM 498 CD GLU A 30 12.819 18.545 -7.792 1.00 0.00 C ATOM 499 OE1 GLU A 30 12.713 19.447 -8.646 1.00 0.00 O ATOM 500 OE2 GLU A 30 13.504 18.680 -6.758 1.00 0.00 O ATOM 0 H GLU A 30 11.182 16.822 -10.779 1.00 0.00 H new ATOM 0 HA GLU A 30 10.079 15.324 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.519 18.304 -8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.084 17.556 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.214 16.595 -7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.613 16.707 -8.863 1.00 0.00 H new ATOM 507 N GLN A 31 8.308 16.672 -10.754 1.00 0.00 N ATOM 508 CA GLN A 31 6.965 17.030 -11.200 1.00 0.00 C ATOM 509 C GLN A 31 6.015 15.849 -11.014 1.00 0.00 C ATOM 510 O GLN A 31 4.974 15.979 -10.366 1.00 0.00 O ATOM 511 CB GLN A 31 7.012 17.462 -12.671 1.00 0.00 C ATOM 512 CG GLN A 31 5.824 18.297 -13.149 1.00 0.00 C ATOM 513 CD GLN A 31 4.517 17.527 -13.227 1.00 0.00 C ATOM 514 OE1 GLN A 31 3.713 17.535 -12.292 1.00 0.00 O ATOM 515 NE2 GLN A 31 4.295 16.862 -14.346 1.00 0.00 N ATOM 0 H GLN A 31 8.991 16.575 -11.506 1.00 0.00 H new ATOM 0 HA GLN A 31 6.594 17.861 -10.600 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.925 18.034 -12.835 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.080 16.569 -13.292 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.695 19.144 -12.476 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.053 18.705 -14.134 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.986 16.881 -15.096 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.433 16.329 -14.460 1.00 0.00 H new ATOM 524 N GLU A 32 6.401 14.686 -11.526 1.00 0.00 N ATOM 525 CA GLU A 32 5.577 13.494 -11.365 1.00 0.00 C ATOM 526 C GLU A 32 5.610 13.000 -9.928 1.00 0.00 C ATOM 527 O GLU A 32 4.600 12.543 -9.410 1.00 0.00 O ATOM 528 CB GLU A 32 6.003 12.358 -12.295 1.00 0.00 C ATOM 529 CG GLU A 32 5.279 12.337 -13.630 1.00 0.00 C ATOM 530 CD GLU A 32 6.003 13.102 -14.711 1.00 0.00 C ATOM 531 OE1 GLU A 32 6.953 12.543 -15.297 1.00 0.00 O ATOM 532 OE2 GLU A 32 5.623 14.255 -14.994 1.00 0.00 O ATOM 0 H GLU A 32 7.265 14.543 -12.048 1.00 0.00 H new ATOM 0 HA GLU A 32 4.562 13.788 -11.631 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.075 12.436 -12.478 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.835 11.407 -11.789 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.150 11.303 -13.950 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.282 12.758 -13.502 1.00 0.00 H new ATOM 539 N LEU A 33 6.769 13.103 -9.289 1.00 0.00 N ATOM 540 CA LEU A 33 6.962 12.553 -7.948 1.00 0.00 C ATOM 541 C LEU A 33 5.949 13.095 -6.942 1.00 0.00 C ATOM 542 O LEU A 33 5.484 12.358 -6.074 1.00 0.00 O ATOM 543 CB LEU A 33 8.384 12.825 -7.459 1.00 0.00 C ATOM 544 CG LEU A 33 9.428 11.819 -7.943 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.819 12.230 -7.496 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.093 10.432 -7.419 1.00 0.00 C ATOM 0 H LEU A 33 7.593 13.563 -9.677 1.00 0.00 H new ATOM 0 HA LEU A 33 6.802 11.477 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.681 13.822 -7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.384 12.832 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 33 9.413 11.800 -9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.546 11.500 -7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.059 13.211 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.853 12.275 -6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.841 9.721 -7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.087 10.447 -6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.110 10.133 -7.784 1.00 0.00 H new ATOM 558 N ALA A 34 5.593 14.368 -7.067 1.00 0.00 N ATOM 559 CA ALA A 34 4.602 14.963 -6.179 1.00 0.00 C ATOM 560 C ALA A 34 3.234 14.325 -6.401 1.00 0.00 C ATOM 561 O ALA A 34 2.538 13.963 -5.451 1.00 0.00 O ATOM 562 CB ALA A 34 4.532 16.466 -6.391 1.00 0.00 C ATOM 0 H ALA A 34 5.972 15.004 -7.769 1.00 0.00 H new ATOM 0 HA ALA A 34 4.905 14.775 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.787 16.894 -5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.506 16.909 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.253 16.675 -7.424 1.00 0.00 H new ATOM 568 N ARG A 35 2.870 14.168 -7.667 1.00 0.00 N ATOM 569 CA ARG A 35 1.605 13.578 -8.048 1.00 0.00 C ATOM 570 C ARG A 35 1.577 12.081 -7.742 1.00 0.00 C ATOM 571 O ARG A 35 0.562 11.556 -7.290 1.00 0.00 O ATOM 572 CB ARG A 35 1.384 13.812 -9.537 1.00 0.00 C ATOM 573 CG ARG A 35 0.002 13.440 -9.995 1.00 0.00 C ATOM 574 CD ARG A 35 -0.196 13.744 -11.469 1.00 0.00 C ATOM 575 NE ARG A 35 -1.481 13.260 -11.959 1.00 0.00 N ATOM 576 CZ ARG A 35 -2.300 13.972 -12.727 1.00 0.00 C ATOM 577 NH1 ARG A 35 -1.971 15.206 -13.096 1.00 0.00 N ATOM 578 NH2 ARG A 35 -3.447 13.444 -13.133 1.00 0.00 N ATOM 0 H ARG A 35 3.450 14.449 -8.457 1.00 0.00 H new ATOM 0 HA ARG A 35 0.808 14.047 -7.472 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.565 14.863 -9.764 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.115 13.234 -10.102 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.169 12.379 -9.815 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.736 13.986 -9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.129 14.820 -11.629 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.608 13.285 -12.045 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.769 12.317 -11.697 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.086 15.611 -12.790 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.603 15.748 -13.685 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.698 12.495 -12.856 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.078 13.987 -13.722 1.00 0.00 H new ATOM 592 N LEU A 36 2.691 11.400 -7.991 1.00 0.00 N ATOM 593 CA LEU A 36 2.799 9.970 -7.715 1.00 0.00 C ATOM 594 C LEU A 36 2.656 9.705 -6.225 1.00 0.00 C ATOM 595 O LEU A 36 1.967 8.772 -5.813 1.00 0.00 O ATOM 596 CB LEU A 36 4.136 9.421 -8.224 1.00 0.00 C ATOM 597 CG LEU A 36 4.330 9.476 -9.740 1.00 0.00 C ATOM 598 CD1 LEU A 36 5.707 8.954 -10.120 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.244 8.680 -10.446 1.00 0.00 C ATOM 0 H LEU A 36 3.535 11.816 -8.385 1.00 0.00 H new ATOM 0 HA LEU A 36 1.992 9.459 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.943 9.980 -7.750 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.232 8.385 -7.899 1.00 0.00 H new ATOM 0 HG LEU A 36 4.256 10.516 -10.059 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.828 9.000 -11.202 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.472 9.566 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.809 7.921 -9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.398 8.731 -11.524 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.286 7.640 -10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.268 9.098 -10.199 1.00 0.00 H new ATOM 611 N ASN A 37 3.298 10.545 -5.423 1.00 0.00 N ATOM 612 CA ASN A 37 3.194 10.462 -3.969 1.00 0.00 C ATOM 613 C ASN A 37 1.738 10.633 -3.535 1.00 0.00 C ATOM 614 O ASN A 37 1.263 9.953 -2.628 1.00 0.00 O ATOM 615 CB ASN A 37 4.079 11.532 -3.318 1.00 0.00 C ATOM 616 CG ASN A 37 4.031 11.501 -1.802 1.00 0.00 C ATOM 617 OD1 ASN A 37 4.767 10.754 -1.162 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.183 12.330 -1.216 1.00 0.00 N ATOM 0 H ASN A 37 3.901 11.297 -5.757 1.00 0.00 H new ATOM 0 HA ASN A 37 3.538 9.480 -3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.109 11.392 -3.646 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.765 12.516 -3.666 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.124 12.364 -0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.588 12.935 -1.782 1.00 0.00 H new ATOM 625 N GLN A 38 1.039 11.533 -4.210 1.00 0.00 N ATOM 626 CA GLN A 38 -0.373 11.775 -3.952 1.00 0.00 C ATOM 627 C GLN A 38 -1.235 10.600 -4.412 1.00 0.00 C ATOM 628 O GLN A 38 -2.223 10.254 -3.763 1.00 0.00 O ATOM 629 CB GLN A 38 -0.805 13.060 -4.654 1.00 0.00 C ATOM 630 CG GLN A 38 -0.445 14.320 -3.886 1.00 0.00 C ATOM 631 CD GLN A 38 -1.198 14.436 -2.573 1.00 0.00 C ATOM 632 OE1 GLN A 38 -2.284 15.012 -2.516 1.00 0.00 O ATOM 633 NE2 GLN A 38 -0.629 13.895 -1.508 1.00 0.00 N ATOM 0 H GLN A 38 1.433 12.115 -4.950 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.514 11.882 -2.876 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.341 13.100 -5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.883 13.035 -4.810 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.627 14.327 -3.688 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.661 15.192 -4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.272 13.425 -1.594 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.092 13.947 -0.601 1.00 0.00 H new ATOM 642 N GLU A 39 -0.852 9.992 -5.529 1.00 0.00 N ATOM 643 CA GLU A 39 -1.586 8.859 -6.083 1.00 0.00 C ATOM 644 C GLU A 39 -1.533 7.674 -5.117 1.00 0.00 C ATOM 645 O GLU A 39 -2.503 6.930 -4.971 1.00 0.00 O ATOM 646 CB GLU A 39 -0.995 8.455 -7.440 1.00 0.00 C ATOM 647 CG GLU A 39 -2.013 7.867 -8.405 1.00 0.00 C ATOM 648 CD GLU A 39 -2.886 8.927 -9.054 1.00 0.00 C ATOM 649 OE1 GLU A 39 -3.805 9.447 -8.392 1.00 0.00 O ATOM 650 OE2 GLU A 39 -2.649 9.258 -10.235 1.00 0.00 O ATOM 0 H GLU A 39 -0.033 10.266 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.626 9.154 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.536 9.330 -7.900 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.201 7.727 -7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.491 7.307 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.646 7.158 -7.871 1.00 0.00 H new ATOM 657 N ILE A 40 -0.389 7.519 -4.448 1.00 0.00 N ATOM 658 CA ILE A 40 -0.206 6.465 -3.452 1.00 0.00 C ATOM 659 C ILE A 40 -1.215 6.614 -2.317 1.00 0.00 C ATOM 660 O ILE A 40 -1.866 5.647 -1.924 1.00 0.00 O ATOM 661 CB ILE A 40 1.221 6.485 -2.857 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.260 6.250 -3.956 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.361 5.436 -1.760 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.689 6.343 -3.468 1.00 0.00 C ATOM 0 H ILE A 40 0.428 8.115 -4.580 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.362 5.515 -3.963 1.00 0.00 H new ATOM 0 HB ILE A 40 1.396 7.467 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.098 5.265 -4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.108 6.981 -4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.372 5.466 -1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.645 5.643 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.166 4.447 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.370 6.166 -4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.869 7.336 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.859 5.594 -2.694 1.00 0.00 H new ATOM 676 N VAL A 41 -1.344 7.837 -1.811 1.00 0.00 N ATOM 677 CA VAL A 41 -2.259 8.131 -0.711 1.00 0.00 C ATOM 678 C VAL A 41 -3.680 7.677 -1.043 1.00 0.00 C ATOM 679 O VAL A 41 -4.385 7.132 -0.192 1.00 0.00 O ATOM 680 CB VAL A 41 -2.267 9.639 -0.375 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.213 9.941 0.779 1.00 0.00 C ATOM 682 CG2 VAL A 41 -0.860 10.123 -0.051 1.00 0.00 C ATOM 0 H VAL A 41 -0.822 8.646 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.902 7.579 0.159 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.626 10.175 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.197 11.010 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.225 9.640 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.895 9.390 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.886 11.187 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.474 9.572 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.211 9.956 -0.911 1.00 0.00 H new ATOM 692 N LYS A 42 -4.086 7.899 -2.287 1.00 0.00 N ATOM 693 CA LYS A 42 -5.411 7.497 -2.748 1.00 0.00 C ATOM 694 C LYS A 42 -5.573 5.980 -2.691 1.00 0.00 C ATOM 695 O LYS A 42 -6.598 5.472 -2.231 1.00 0.00 O ATOM 696 CB LYS A 42 -5.642 7.973 -4.180 1.00 0.00 C ATOM 697 CG LYS A 42 -5.439 9.464 -4.373 1.00 0.00 C ATOM 698 CD LYS A 42 -5.567 9.845 -5.836 1.00 0.00 C ATOM 699 CE LYS A 42 -5.225 11.304 -6.066 1.00 0.00 C ATOM 700 NZ LYS A 42 -5.227 11.647 -7.511 1.00 0.00 N ATOM 0 H LYS A 42 -3.515 8.357 -2.998 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.146 7.956 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.966 7.435 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.657 7.713 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.174 10.014 -3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.455 9.752 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.907 9.217 -6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.585 9.652 -6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.944 11.933 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.244 11.519 -5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.636 12.488 -7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.846 10.849 -8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.200 11.845 -7.820 1.00 0.00 H new ATOM 714 N ALA A 43 -4.549 5.268 -3.152 1.00 0.00 N ATOM 715 CA ALA A 43 -4.591 3.812 -3.229 1.00 0.00 C ATOM 716 C ALA A 43 -4.581 3.180 -1.842 1.00 0.00 C ATOM 717 O ALA A 43 -5.377 2.281 -1.557 1.00 0.00 O ATOM 718 CB ALA A 43 -3.422 3.293 -4.054 1.00 0.00 C ATOM 0 H ALA A 43 -3.675 5.679 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.524 3.530 -3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.466 2.205 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.477 3.704 -5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.485 3.598 -3.589 1.00 0.00 H new ATOM 724 N GLU A 44 -3.688 3.662 -0.984 1.00 0.00 N ATOM 725 CA GLU A 44 -3.562 3.141 0.373 1.00 0.00 C ATOM 726 C GLU A 44 -4.880 3.288 1.135 1.00 0.00 C ATOM 727 O GLU A 44 -5.361 2.337 1.750 1.00 0.00 O ATOM 728 CB GLU A 44 -2.449 3.882 1.118 1.00 0.00 C ATOM 729 CG GLU A 44 -1.071 3.757 0.483 1.00 0.00 C ATOM 730 CD GLU A 44 -0.381 2.443 0.797 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.576 1.464 0.073 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.393 2.387 1.779 1.00 0.00 O ATOM 0 H GLU A 44 -3.038 4.416 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.312 2.082 0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.712 4.938 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.400 3.505 2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.166 3.860 -0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.444 4.580 0.827 1.00 0.00 H new ATOM 739 N LYS A 45 -5.480 4.476 1.060 1.00 0.00 N ATOM 740 CA LYS A 45 -6.744 4.736 1.748 1.00 0.00 C ATOM 741 C LYS A 45 -7.891 3.971 1.103 1.00 0.00 C ATOM 742 O LYS A 45 -8.844 3.588 1.780 1.00 0.00 O ATOM 743 CB LYS A 45 -7.059 6.234 1.803 1.00 0.00 C ATOM 744 CG LYS A 45 -6.168 6.987 2.773 1.00 0.00 C ATOM 745 CD LYS A 45 -6.691 8.380 3.069 1.00 0.00 C ATOM 746 CE LYS A 45 -5.846 9.066 4.133 1.00 0.00 C ATOM 747 NZ LYS A 45 -5.798 8.286 5.404 1.00 0.00 N ATOM 0 H LYS A 45 -5.114 5.269 0.533 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.631 4.381 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.946 6.661 0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.101 6.371 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.090 6.425 3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.162 7.059 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.686 8.976 2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.726 8.320 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.833 9.205 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.251 10.058 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.874 8.935 6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.589 7.611 5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.898 7.767 5.459 1.00 0.00 H new ATOM 761 N GLN A 46 -7.797 3.749 -0.205 1.00 0.00 N ATOM 762 CA GLN A 46 -8.803 2.973 -0.918 1.00 0.00 C ATOM 763 C GLN A 46 -8.879 1.573 -0.327 1.00 0.00 C ATOM 764 O GLN A 46 -9.965 1.034 -0.113 1.00 0.00 O ATOM 765 CB GLN A 46 -8.458 2.886 -2.407 1.00 0.00 C ATOM 766 CG GLN A 46 -9.503 2.157 -3.240 1.00 0.00 C ATOM 767 CD GLN A 46 -10.846 2.860 -3.241 1.00 0.00 C ATOM 768 OE1 GLN A 46 -10.921 4.086 -3.144 1.00 0.00 O ATOM 769 NE2 GLN A 46 -11.917 2.088 -3.344 1.00 0.00 N ATOM 0 H GLN A 46 -7.036 4.095 -0.790 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.768 3.468 -0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.333 3.895 -2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.500 2.379 -2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.145 2.065 -4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.628 1.145 -2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.811 1.077 -3.422 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.848 2.505 -3.345 1.00 0.00 H new ATOM 778 N GLY A 47 -7.714 0.999 -0.053 1.00 0.00 N ATOM 779 CA GLY A 47 -7.665 -0.299 0.581 1.00 0.00 C ATOM 780 C GLY A 47 -8.185 -0.253 2.000 1.00 0.00 C ATOM 781 O GLY A 47 -9.032 -1.058 2.374 1.00 0.00 O ATOM 0 H GLY A 47 -6.804 1.411 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.255 -1.009 0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.638 -0.664 0.582 1.00 0.00 H new ATOM 785 N VAL A 48 -7.708 0.722 2.772 1.00 0.00 N ATOM 786 CA VAL A 48 -8.109 0.876 4.173 1.00 0.00 C ATOM 787 C VAL A 48 -9.625 0.979 4.315 1.00 0.00 C ATOM 788 O VAL A 48 -10.232 0.283 5.133 1.00 0.00 O ATOM 789 CB VAL A 48 -7.460 2.125 4.811 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.987 2.360 6.220 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.948 1.992 4.830 1.00 0.00 C ATOM 0 H VAL A 48 -7.039 1.422 2.450 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.762 -0.016 4.694 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.727 2.987 4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.512 3.245 6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.066 2.509 6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.760 1.494 6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.510 2.881 5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.667 1.113 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.579 1.885 3.810 1.00 0.00 H new ATOM 801 N LYS A 49 -10.224 1.843 3.506 1.00 0.00 N ATOM 802 CA LYS A 49 -11.659 2.094 3.559 1.00 0.00 C ATOM 803 C LYS A 49 -12.457 0.807 3.361 1.00 0.00 C ATOM 804 O LYS A 49 -13.364 0.500 4.139 1.00 0.00 O ATOM 805 CB LYS A 49 -12.038 3.125 2.495 1.00 0.00 C ATOM 806 CG LYS A 49 -13.507 3.515 2.501 1.00 0.00 C ATOM 807 CD LYS A 49 -13.776 4.632 1.509 1.00 0.00 C ATOM 808 CE LYS A 49 -15.236 5.052 1.513 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.134 3.971 1.031 1.00 0.00 N ATOM 0 H LYS A 49 -9.732 2.387 2.798 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.904 2.484 4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.435 4.021 2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.783 2.727 1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.118 2.648 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.798 3.834 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.150 5.491 1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.495 4.304 0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.527 5.339 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.360 5.933 0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.095 4.348 0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.783 3.608 0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.153 3.199 1.728 1.00 0.00 H new ATOM 823 N VAL A 50 -12.114 0.054 2.324 1.00 0.00 N ATOM 824 CA VAL A 50 -12.809 -1.192 2.026 1.00 0.00 C ATOM 825 C VAL A 50 -12.485 -2.263 3.071 1.00 0.00 C ATOM 826 O VAL A 50 -13.356 -3.043 3.471 1.00 0.00 O ATOM 827 CB VAL A 50 -12.451 -1.715 0.617 1.00 0.00 C ATOM 828 CG1 VAL A 50 -13.298 -2.926 0.259 1.00 0.00 C ATOM 829 CG2 VAL A 50 -12.625 -0.619 -0.423 1.00 0.00 C ATOM 0 H VAL A 50 -11.360 0.283 1.676 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.878 -0.979 2.055 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.404 -2.019 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.028 -3.277 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.121 -3.721 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.352 -2.650 0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.368 -1.008 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.661 -0.281 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.971 0.219 -0.182 1.00 0.00 H new ATOM 839 N TYR A 51 -11.232 -2.285 3.522 1.00 0.00 N ATOM 840 CA TYR A 51 -10.785 -3.268 4.505 1.00 0.00 C ATOM 841 C TYR A 51 -11.526 -3.113 5.826 1.00 0.00 C ATOM 842 O TYR A 51 -11.962 -4.100 6.410 1.00 0.00 O ATOM 843 CB TYR A 51 -9.272 -3.161 4.741 1.00 0.00 C ATOM 844 CG TYR A 51 -8.431 -3.743 3.620 1.00 0.00 C ATOM 845 CD1 TYR A 51 -8.951 -4.691 2.747 1.00 0.00 C ATOM 846 CD2 TYR A 51 -7.114 -3.339 3.435 1.00 0.00 C ATOM 847 CE1 TYR A 51 -8.187 -5.219 1.724 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.342 -3.861 2.413 1.00 0.00 C ATOM 849 CZ TYR A 51 -6.884 -4.802 1.561 1.00 0.00 C ATOM 850 OH TYR A 51 -6.122 -5.326 0.542 1.00 0.00 O ATOM 0 H TYR A 51 -10.508 -1.632 3.221 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.010 -4.254 4.099 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -9.008 -2.112 4.872 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.023 -3.671 5.671 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.972 -5.021 2.871 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.686 -2.604 4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.609 -5.955 1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.321 -3.534 2.282 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.655 -5.363 -0.279 1.00 0.00 H new ATOM 860 N LYS A 52 -11.679 -1.876 6.285 1.00 0.00 N ATOM 861 CA LYS A 52 -12.324 -1.613 7.571 1.00 0.00 C ATOM 862 C LYS A 52 -13.777 -2.077 7.553 1.00 0.00 C ATOM 863 O LYS A 52 -14.294 -2.569 8.558 1.00 0.00 O ATOM 864 CB LYS A 52 -12.261 -0.122 7.913 1.00 0.00 C ATOM 865 CG LYS A 52 -12.594 0.176 9.368 1.00 0.00 C ATOM 866 CD LYS A 52 -12.709 1.668 9.630 1.00 0.00 C ATOM 867 CE LYS A 52 -13.949 2.252 8.972 1.00 0.00 C ATOM 868 NZ LYS A 52 -14.093 3.704 9.248 1.00 0.00 N ATOM 0 H LYS A 52 -11.367 -1.041 5.790 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.786 -2.174 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.261 0.253 7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.954 0.421 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.532 -0.312 9.633 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.822 -0.247 10.011 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.746 1.849 10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.821 2.175 9.252 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.898 2.091 7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.833 1.725 9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.950 4.063 8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.167 3.857 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.262 4.211 8.882 1.00 0.00 H new ATOM 882 N GLU A 53 -14.421 -1.924 6.402 1.00 0.00 N ATOM 883 CA GLU A 53 -15.809 -2.338 6.231 1.00 0.00 C ATOM 884 C GLU A 53 -15.930 -3.839 6.480 1.00 0.00 C ATOM 885 O GLU A 53 -16.781 -4.285 7.247 1.00 0.00 O ATOM 886 CB GLU A 53 -16.280 -1.968 4.816 1.00 0.00 C ATOM 887 CG GLU A 53 -17.794 -1.906 4.630 1.00 0.00 C ATOM 888 CD GLU A 53 -18.444 -3.265 4.430 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.832 -4.131 3.772 1.00 0.00 O ATOM 890 OE2 GLU A 53 -19.587 -3.458 4.901 1.00 0.00 O ATOM 0 H GLU A 53 -14.001 -1.514 5.568 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.445 -1.822 6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.858 -0.999 4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.873 -2.695 4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -18.238 -1.426 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.019 -1.276 3.770 1.00 0.00 H new ATOM 897 N ALA A 54 -15.048 -4.603 5.845 1.00 0.00 N ATOM 898 CA ALA A 54 -15.046 -6.055 5.974 1.00 0.00 C ATOM 899 C ALA A 54 -14.525 -6.513 7.339 1.00 0.00 C ATOM 900 O ALA A 54 -15.030 -7.479 7.908 1.00 0.00 O ATOM 901 CB ALA A 54 -14.214 -6.671 4.863 1.00 0.00 C ATOM 0 H ALA A 54 -14.320 -4.237 5.231 1.00 0.00 H new ATOM 0 HA ALA A 54 -16.079 -6.394 5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.217 -7.756 4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.637 -6.397 3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.190 -6.303 4.928 1.00 0.00 H new ATOM 907 N ALA A 55 -13.512 -5.818 7.855 1.00 0.00 N ATOM 908 CA ALA A 55 -12.858 -6.200 9.111 1.00 0.00 C ATOM 909 C ALA A 55 -13.845 -6.263 10.274 1.00 0.00 C ATOM 910 O ALA A 55 -13.839 -7.213 11.054 1.00 0.00 O ATOM 911 CB ALA A 55 -11.727 -5.231 9.434 1.00 0.00 C ATOM 0 H ALA A 55 -13.123 -4.981 7.421 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.448 -7.201 8.974 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.250 -5.527 10.369 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.991 -5.249 8.630 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.129 -4.223 9.535 1.00 0.00 H new ATOM 917 N GLU A 56 -14.703 -5.261 10.371 1.00 0.00 N ATOM 918 CA GLU A 56 -15.672 -5.188 11.459 1.00 0.00 C ATOM 919 C GLU A 56 -16.908 -6.029 11.144 1.00 0.00 C ATOM 920 O GLU A 56 -17.867 -6.058 11.914 1.00 0.00 O ATOM 921 CB GLU A 56 -16.090 -3.735 11.684 1.00 0.00 C ATOM 922 CG GLU A 56 -14.930 -2.797 11.975 1.00 0.00 C ATOM 923 CD GLU A 56 -14.259 -3.086 13.299 1.00 0.00 C ATOM 924 OE1 GLU A 56 -13.324 -3.909 13.330 1.00 0.00 O ATOM 925 OE2 GLU A 56 -14.663 -2.483 14.316 1.00 0.00 O ATOM 0 H GLU A 56 -14.751 -4.485 9.711 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.203 -5.580 12.361 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.619 -3.379 10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.794 -3.695 12.515 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.194 -2.878 11.175 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.291 -1.769 11.973 1.00 0.00 H new ATOM 932 N LYS A 57 -16.869 -6.717 10.016 1.00 0.00 N ATOM 933 CA LYS A 57 -18.032 -7.428 9.507 1.00 0.00 C ATOM 934 C LYS A 57 -17.781 -8.936 9.466 1.00 0.00 C ATOM 935 O LYS A 57 -18.719 -9.736 9.473 1.00 0.00 O ATOM 936 CB LYS A 57 -18.343 -6.888 8.114 1.00 0.00 C ATOM 937 CG LYS A 57 -19.709 -7.251 7.566 1.00 0.00 C ATOM 938 CD LYS A 57 -19.998 -6.425 6.327 1.00 0.00 C ATOM 939 CE LYS A 57 -21.365 -6.713 5.741 1.00 0.00 C ATOM 940 NZ LYS A 57 -21.698 -5.743 4.668 1.00 0.00 N ATOM 0 H LYS A 57 -16.038 -6.799 9.430 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.884 -7.267 10.168 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.256 -5.802 8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.584 -7.254 7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -19.744 -8.313 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -20.474 -7.071 8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -19.929 -5.366 6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -19.235 -6.625 5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -21.387 -7.726 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -22.119 -6.665 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -22.664 -5.385 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -21.027 -4.949 4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -21.637 -6.214 3.743 1.00 0.00 H new ATOM 954 N ALA A 58 -16.510 -9.314 9.433 1.00 0.00 N ATOM 955 CA ALA A 58 -16.125 -10.718 9.375 1.00 0.00 C ATOM 956 C ALA A 58 -16.310 -11.392 10.729 1.00 0.00 C ATOM 957 O ALA A 58 -16.090 -10.782 11.774 1.00 0.00 O ATOM 958 CB ALA A 58 -14.683 -10.852 8.909 1.00 0.00 C ATOM 0 H ALA A 58 -15.724 -8.664 9.445 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.774 -11.218 8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.410 -11.906 8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.579 -10.414 7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.026 -10.332 9.606 1.00 0.00 H new ATOM 964 N ARG A 59 -16.714 -12.655 10.702 1.00 0.00 N ATOM 965 CA ARG A 59 -16.947 -13.412 11.926 1.00 0.00 C ATOM 966 C ARG A 59 -15.701 -14.192 12.325 1.00 0.00 C ATOM 967 O ARG A 59 -15.685 -14.877 13.349 1.00 0.00 O ATOM 968 CB ARG A 59 -18.118 -14.382 11.739 1.00 0.00 C ATOM 969 CG ARG A 59 -19.413 -13.716 11.307 1.00 0.00 C ATOM 970 CD ARG A 59 -20.550 -14.723 11.197 1.00 0.00 C ATOM 971 NE ARG A 59 -20.249 -15.811 10.262 1.00 0.00 N ATOM 972 CZ ARG A 59 -20.881 -15.995 9.100 1.00 0.00 C ATOM 973 NH1 ARG A 59 -21.839 -15.157 8.717 1.00 0.00 N ATOM 974 NH2 ARG A 59 -20.564 -17.021 8.324 1.00 0.00 N ATOM 0 H ARG A 59 -16.888 -13.178 9.844 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.189 -12.703 12.718 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -17.841 -15.130 10.996 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -18.290 -14.912 12.676 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.681 -12.940 12.024 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.267 -13.224 10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -20.757 -15.142 12.182 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.455 -14.210 10.873 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.511 -16.468 10.515 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -22.095 -14.369 9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -22.318 -15.302 7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.835 -17.673 8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.049 -17.159 7.437 1.00 0.00 H new ATOM 988 N ASN A 60 -14.660 -14.083 11.515 1.00 0.00 N ATOM 989 CA ASN A 60 -13.438 -14.843 11.739 1.00 0.00 C ATOM 990 C ASN A 60 -12.369 -13.968 12.384 1.00 0.00 C ATOM 991 O ASN A 60 -11.883 -13.015 11.772 1.00 0.00 O ATOM 992 CB ASN A 60 -12.914 -15.419 10.419 1.00 0.00 C ATOM 993 CG ASN A 60 -13.944 -16.270 9.702 1.00 0.00 C ATOM 994 OD1 ASN A 60 -14.679 -15.783 8.841 1.00 0.00 O ATOM 995 ND2 ASN A 60 -14.011 -17.542 10.057 1.00 0.00 N ATOM 0 H ASN A 60 -14.636 -13.476 10.696 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.671 -15.665 12.415 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.607 -14.601 9.767 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.026 -16.020 10.616 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.690 -18.160 9.613 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.384 -17.905 10.775 1.00 0.00 H new ATOM 1002 N PRO A 61 -11.996 -14.285 13.635 1.00 0.00 N ATOM 1003 CA PRO A 61 -11.019 -13.504 14.405 1.00 0.00 C ATOM 1004 C PRO A 61 -9.664 -13.382 13.708 1.00 0.00 C ATOM 1005 O PRO A 61 -9.115 -12.286 13.591 1.00 0.00 O ATOM 1006 CB PRO A 61 -10.875 -14.296 15.708 1.00 0.00 C ATOM 1007 CG PRO A 61 -12.123 -15.098 15.811 1.00 0.00 C ATOM 1008 CD PRO A 61 -12.508 -15.433 14.402 1.00 0.00 C ATOM 0 HA PRO A 61 -11.354 -12.476 14.542 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.994 -14.938 15.684 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.762 -13.631 16.564 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.960 -16.002 16.398 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.911 -14.533 16.308 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.059 -16.370 14.073 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.587 -15.541 14.294 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.133 -14.504 13.237 1.00 0.00 N ATOM 1017 CA GLU A 62 -7.813 -14.521 12.615 1.00 0.00 C ATOM 1018 C GLU A 62 -7.847 -13.817 11.267 1.00 0.00 C ATOM 1019 O GLU A 62 -6.918 -13.096 10.908 1.00 0.00 O ATOM 1020 CB GLU A 62 -7.277 -15.954 12.461 1.00 0.00 C ATOM 1021 CG GLU A 62 -8.149 -16.888 11.631 1.00 0.00 C ATOM 1022 CD GLU A 62 -9.389 -17.344 12.366 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -9.299 -18.316 13.145 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -10.454 -16.731 12.179 1.00 0.00 O ATOM 0 H GLU A 62 -9.595 -15.413 13.273 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.132 -13.983 13.274 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.287 -15.908 12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.152 -16.386 13.454 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.443 -16.381 10.712 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.564 -17.760 11.340 1.00 0.00 H new ATOM 1031 N LYS A 63 -8.932 -14.017 10.533 1.00 0.00 N ATOM 1032 CA LYS A 63 -9.112 -13.362 9.241 1.00 0.00 C ATOM 1033 C LYS A 63 -9.208 -11.852 9.434 1.00 0.00 C ATOM 1034 O LYS A 63 -8.706 -11.076 8.620 1.00 0.00 O ATOM 1035 CB LYS A 63 -10.361 -13.903 8.531 1.00 0.00 C ATOM 1036 CG LYS A 63 -10.545 -13.389 7.107 1.00 0.00 C ATOM 1037 CD LYS A 63 -11.714 -14.076 6.416 1.00 0.00 C ATOM 1038 CE LYS A 63 -11.823 -13.661 4.956 1.00 0.00 C ATOM 1039 NZ LYS A 63 -12.910 -14.393 4.248 1.00 0.00 N ATOM 0 H LYS A 63 -9.702 -14.627 10.808 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.249 -13.578 8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.309 -14.992 8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.241 -13.638 9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.713 -12.312 7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.632 -13.559 6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.591 -15.157 6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.640 -13.830 6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.010 -12.589 4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.874 -13.848 4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.950 -14.081 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.720 -15.415 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.820 -14.195 4.711 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.841 -11.443 10.531 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.936 -10.034 10.881 1.00 0.00 C ATOM 1055 C ARG A 64 -8.562 -9.483 11.257 1.00 0.00 C ATOM 1056 O ARG A 64 -8.208 -8.372 10.872 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.905 -9.839 12.049 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.099 -8.383 12.432 1.00 0.00 C ATOM 1059 CD ARG A 64 -11.874 -8.241 13.729 1.00 0.00 C ATOM 1060 NE ARG A 64 -12.137 -6.839 14.050 1.00 0.00 N ATOM 1061 CZ ARG A 64 -11.624 -6.197 15.099 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -10.779 -6.807 15.922 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -11.942 -4.933 15.316 1.00 0.00 N ATOM 0 H ARG A 64 -10.296 -12.072 11.193 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.310 -9.492 10.013 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.871 -10.270 11.786 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.535 -10.389 12.914 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.127 -7.901 12.535 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.629 -7.864 11.633 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.818 -8.780 13.650 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.312 -8.701 14.541 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.755 -6.317 13.429 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.516 -7.778 15.755 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.393 -6.304 16.721 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.579 -4.451 14.681 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.551 -4.439 16.118 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.795 -10.274 12.007 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.471 -9.876 12.458 1.00 0.00 C ATOM 1079 C GLN A 65 -5.582 -9.507 11.274 1.00 0.00 C ATOM 1080 O GLN A 65 -4.880 -8.495 11.308 1.00 0.00 O ATOM 1081 CB GLN A 65 -5.852 -11.020 13.264 1.00 0.00 C ATOM 1082 CG GLN A 65 -4.658 -10.616 14.108 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.358 -10.520 13.326 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -3.136 -11.255 12.363 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -2.494 -9.605 13.732 1.00 0.00 N ATOM 0 H GLN A 65 -8.077 -11.204 12.316 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.558 -8.993 13.091 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.616 -11.444 13.916 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.546 -11.809 12.577 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.863 -9.652 14.573 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.534 -11.339 14.914 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.715 -9.015 14.534 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.607 -9.489 13.243 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.630 -10.325 10.226 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.852 -10.071 9.020 1.00 0.00 C ATOM 1096 C VAL A 66 -5.223 -8.716 8.426 1.00 0.00 C ATOM 1097 O VAL A 66 -4.355 -7.899 8.114 1.00 0.00 O ATOM 1098 CB VAL A 66 -5.074 -11.177 7.964 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -4.280 -10.889 6.698 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.694 -12.537 8.532 1.00 0.00 C ATOM 0 H VAL A 66 -6.200 -11.170 10.189 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.799 -10.069 9.301 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.132 -11.190 7.704 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.454 -11.682 5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.599 -9.935 6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.218 -10.843 6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.856 -13.305 7.776 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.643 -12.529 8.822 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.310 -12.752 9.405 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.520 -8.470 8.306 1.00 0.00 N ATOM 1111 CA ILE A 67 -7.016 -7.219 7.754 1.00 0.00 C ATOM 1112 C ILE A 67 -6.635 -6.039 8.648 1.00 0.00 C ATOM 1113 O ILE A 67 -6.147 -5.018 8.166 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.551 -7.249 7.581 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.965 -8.422 6.688 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -9.050 -5.936 6.995 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -10.465 -8.580 6.549 1.00 0.00 C ATOM 0 H ILE A 67 -7.251 -9.125 8.585 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.553 -7.095 6.775 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.004 -7.382 8.563 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.529 -8.285 5.698 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.548 -9.343 7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.133 -5.977 6.881 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.786 -5.116 7.663 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.588 -5.774 6.021 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.683 -9.430 5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.906 -8.749 7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.887 -7.675 6.113 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.857 -6.192 9.950 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.570 -5.135 10.923 1.00 0.00 C ATOM 1131 C ASP A 68 -5.097 -4.735 10.901 1.00 0.00 C ATOM 1132 O ASP A 68 -4.763 -3.545 10.912 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.963 -5.595 12.330 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.560 -4.601 13.404 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -7.225 -3.553 13.530 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.577 -4.869 14.128 1.00 0.00 O ATOM 0 H ASP A 68 -7.238 -7.044 10.361 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.160 -4.261 10.647 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.041 -5.749 12.370 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.495 -6.557 12.537 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.224 -5.732 10.858 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.785 -5.502 10.846 1.00 0.00 C ATOM 1143 C LYS A 69 -2.370 -4.694 9.617 1.00 0.00 C ATOM 1144 O LYS A 69 -1.606 -3.731 9.719 1.00 0.00 O ATOM 1145 CB LYS A 69 -2.057 -6.846 10.858 1.00 0.00 C ATOM 1146 CG LYS A 69 -0.546 -6.730 10.780 1.00 0.00 C ATOM 1147 CD LYS A 69 0.101 -8.094 10.643 1.00 0.00 C ATOM 1148 CE LYS A 69 1.601 -7.981 10.431 1.00 0.00 C ATOM 1149 NZ LYS A 69 2.219 -9.311 10.198 1.00 0.00 N ATOM 0 H LYS A 69 -4.490 -6.716 10.831 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.515 -4.930 11.733 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.323 -7.384 11.768 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.409 -7.446 10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.270 -6.106 9.930 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.170 -6.234 11.675 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.097 -8.683 11.538 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.347 -8.627 9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.801 -7.331 9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.059 -7.514 11.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.217 -9.286 10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.715 -10.030 10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.159 -9.550 9.188 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.899 -5.077 8.461 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.595 -4.393 7.213 1.00 0.00 C ATOM 1165 C ILE A 70 -3.203 -2.994 7.204 1.00 0.00 C ATOM 1166 O ILE A 70 -2.564 -2.030 6.782 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.111 -5.198 6.003 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.404 -6.553 5.950 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -2.898 -4.427 4.705 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -2.906 -7.462 4.853 1.00 0.00 C ATOM 0 H ILE A 70 -3.543 -5.862 8.364 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.511 -4.307 7.136 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.183 -5.360 6.119 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.335 -6.389 5.812 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.528 -7.055 6.910 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.270 -5.016 3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.437 -3.481 4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.834 -4.232 4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.356 -8.403 4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.968 -7.658 5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.756 -6.982 3.886 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.429 -2.898 7.697 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.137 -1.627 7.781 1.00 0.00 C ATOM 1184 C LEU A 71 -4.337 -0.626 8.616 1.00 0.00 C ATOM 1185 O LEU A 71 -4.182 0.537 8.237 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.523 -1.872 8.396 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.558 -0.758 8.219 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -8.952 -1.316 8.446 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.305 0.389 9.183 1.00 0.00 C ATOM 0 H LEU A 71 -4.960 -3.695 8.049 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.257 -1.204 6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.930 -2.787 7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.395 -2.052 9.463 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.473 -0.374 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.687 -0.521 8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.148 -2.110 7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.023 -1.718 9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.057 1.164 9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.362 0.022 10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.314 0.805 9.002 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.818 -1.094 9.744 1.00 0.00 N ATOM 1202 CA GLU A 72 -3.036 -0.257 10.645 1.00 0.00 C ATOM 1203 C GLU A 72 -1.747 0.206 9.968 1.00 0.00 C ATOM 1204 O GLU A 72 -1.358 1.371 10.077 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.713 -1.034 11.928 1.00 0.00 C ATOM 1206 CG GLU A 72 -2.007 -0.214 12.997 1.00 0.00 C ATOM 1207 CD GLU A 72 -2.836 0.960 13.475 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -3.856 0.737 14.163 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -2.476 2.114 13.164 1.00 0.00 O ATOM 0 H GLU A 72 -3.926 -2.058 10.059 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.623 0.625 10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.641 -1.428 12.343 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.089 -1.890 11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.771 -0.856 13.845 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.060 0.152 12.602 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.101 -0.709 9.254 1.00 0.00 N ATOM 1217 CA ASP A 73 0.164 -0.419 8.581 1.00 0.00 C ATOM 1218 C ASP A 73 -0.049 0.569 7.437 1.00 0.00 C ATOM 1219 O ASP A 73 0.738 1.489 7.231 1.00 0.00 O ATOM 1220 CB ASP A 73 0.767 -1.700 8.005 1.00 0.00 C ATOM 1221 CG ASP A 73 2.259 -1.596 7.759 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.790 -0.507 7.576 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.955 -2.609 7.666 1.00 0.00 O ATOM 0 H ASP A 73 -1.434 -1.665 9.125 1.00 0.00 H new ATOM 0 HA ASP A 73 0.840 0.012 9.319 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.574 -2.525 8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.266 -1.941 7.067 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.130 0.361 6.701 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.412 1.136 5.503 1.00 0.00 C ATOM 1230 C GLU A 74 -1.561 2.628 5.819 1.00 0.00 C ATOM 1231 O GLU A 74 -1.026 3.467 5.095 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.664 0.573 4.819 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.442 0.141 3.373 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.100 -0.537 3.147 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.109 0.186 2.938 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -1.016 -1.795 3.152 1.00 0.00 O ATOM 0 H GLU A 74 -1.833 -0.346 6.916 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.568 1.050 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.024 -0.282 5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.450 1.328 4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.240 -0.541 3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.514 1.015 2.725 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.244 2.962 6.915 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.353 4.354 7.338 1.00 0.00 C ATOM 1245 C GLU A 75 -0.998 4.882 7.808 1.00 0.00 C ATOM 1246 O GLU A 75 -0.675 6.055 7.610 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.390 4.517 8.451 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.839 4.469 7.977 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.136 5.452 6.853 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.382 6.434 6.695 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -6.075 5.199 6.075 1.00 0.00 O ATOM 0 H GLU A 75 -2.724 2.294 7.518 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.681 4.935 6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.237 3.731 9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.217 5.468 8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.070 3.459 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.497 4.681 8.820 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.209 4.005 8.427 1.00 0.00 N ATOM 1259 CA LYS A 76 1.132 4.355 8.891 1.00 0.00 C ATOM 1260 C LYS A 76 1.998 4.818 7.718 1.00 0.00 C ATOM 1261 O LYS A 76 2.809 5.735 7.853 1.00 0.00 O ATOM 1262 CB LYS A 76 1.772 3.144 9.581 1.00 0.00 C ATOM 1263 CG LYS A 76 3.169 3.389 10.129 1.00 0.00 C ATOM 1264 CD LYS A 76 3.740 2.122 10.753 1.00 0.00 C ATOM 1265 CE LYS A 76 5.114 2.344 11.365 1.00 0.00 C ATOM 1266 NZ LYS A 76 6.138 2.703 10.344 1.00 0.00 N ATOM 0 H LYS A 76 -0.478 3.040 8.620 1.00 0.00 H new ATOM 0 HA LYS A 76 1.058 5.174 9.606 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.126 2.826 10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.815 2.319 8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.823 3.731 9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.137 4.183 10.875 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.057 1.760 11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.806 1.344 9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.053 3.138 12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.427 1.440 11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.076 2.745 10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.145 1.985 9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.909 3.631 9.934 1.00 0.00 H new ATOM 1280 N HIS A 77 1.810 4.179 6.567 1.00 0.00 N ATOM 1281 CA HIS A 77 2.510 4.562 5.343 1.00 0.00 C ATOM 1282 C HIS A 77 2.062 5.948 4.889 1.00 0.00 C ATOM 1283 O HIS A 77 2.877 6.812 4.548 1.00 0.00 O ATOM 1284 CB HIS A 77 2.222 3.560 4.223 1.00 0.00 C ATOM 1285 CG HIS A 77 2.676 2.160 4.497 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.200 1.060 3.817 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.584 1.687 5.389 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.816 -0.022 4.308 1.00 0.00 C ATOM 1289 NE2 HIS A 77 3.668 0.300 5.264 1.00 0.00 N ATOM 0 H HIS A 77 1.175 3.389 6.455 1.00 0.00 H new ATOM 0 HA HIS A 77 3.579 4.572 5.556 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.149 3.548 4.034 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.703 3.910 3.310 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.503 1.069 3.073 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.151 2.289 6.084 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.639 -1.031 3.966 1.00 0.00 H new ATOM 1296 N ILE A 78 0.749 6.141 4.898 1.00 0.00 N ATOM 1297 CA ILE A 78 0.128 7.385 4.465 1.00 0.00 C ATOM 1298 C ILE A 78 0.609 8.569 5.296 1.00 0.00 C ATOM 1299 O ILE A 78 0.807 9.662 4.767 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.407 7.275 4.541 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -1.873 6.113 3.668 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -2.066 8.577 4.104 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.318 5.741 3.877 1.00 0.00 C ATOM 0 H ILE A 78 0.082 5.434 5.208 1.00 0.00 H new ATOM 0 HA ILE A 78 0.423 7.558 3.430 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.701 7.088 5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.722 6.374 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.249 5.243 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.149 8.475 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.740 9.387 4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.781 8.802 3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.578 4.908 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.472 5.449 4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.951 6.597 3.643 1.00 0.00 H new ATOM 1315 N GLU A 79 0.808 8.338 6.589 1.00 0.00 N ATOM 1316 CA GLU A 79 1.295 9.378 7.492 1.00 0.00 C ATOM 1317 C GLU A 79 2.607 9.966 6.969 1.00 0.00 C ATOM 1318 O GLU A 79 2.811 11.183 6.996 1.00 0.00 O ATOM 1319 CB GLU A 79 1.501 8.794 8.896 1.00 0.00 C ATOM 1320 CG GLU A 79 2.010 9.799 9.921 1.00 0.00 C ATOM 1321 CD GLU A 79 0.983 10.856 10.268 1.00 0.00 C ATOM 1322 OE1 GLU A 79 0.851 11.837 9.514 1.00 0.00 O ATOM 1323 OE2 GLU A 79 0.307 10.718 11.310 1.00 0.00 O ATOM 0 H GLU A 79 0.639 7.438 7.038 1.00 0.00 H new ATOM 0 HA GLU A 79 0.554 10.175 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.556 8.380 9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.208 7.966 8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.300 9.270 10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.906 10.283 9.534 1.00 0.00 H new ATOM 1330 N TRP A 80 3.477 9.101 6.465 1.00 0.00 N ATOM 1331 CA TRP A 80 4.754 9.538 5.921 1.00 0.00 C ATOM 1332 C TRP A 80 4.559 10.276 4.599 1.00 0.00 C ATOM 1333 O TRP A 80 5.012 11.415 4.442 1.00 0.00 O ATOM 1334 CB TRP A 80 5.695 8.345 5.724 1.00 0.00 C ATOM 1335 CG TRP A 80 7.007 8.721 5.114 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.565 8.175 4.005 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.913 9.738 5.567 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.768 8.777 3.734 1.00 0.00 N ATOM 1339 CE2 TRP A 80 9.005 9.742 4.680 1.00 0.00 C ATOM 1340 CE3 TRP A 80 7.908 10.639 6.635 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 10.078 10.618 4.824 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 8.974 11.507 6.779 1.00 0.00 C ATOM 1343 CH2 TRP A 80 10.046 11.492 5.877 1.00 0.00 C ATOM 0 H TRP A 80 3.321 8.094 6.422 1.00 0.00 H new ATOM 0 HA TRP A 80 5.205 10.225 6.637 1.00 0.00 H new ATOM 0 HB2 TRP A 80 5.874 7.869 6.688 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.206 7.606 5.089 1.00 0.00 H new ATOM 0 HD1 TRP A 80 7.126 7.381 3.420 1.00 0.00 H new ATOM 0 HE1 TRP A 80 9.385 8.545 2.956 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.086 10.657 7.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.905 10.608 4.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.981 12.208 7.600 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.864 12.184 6.015 1.00 0.00 H new ATOM 1354 N HIS A 81 3.879 9.634 3.653 1.00 0.00 N ATOM 1355 CA HIS A 81 3.663 10.218 2.330 1.00 0.00 C ATOM 1356 C HIS A 81 2.913 11.547 2.408 1.00 0.00 C ATOM 1357 O HIS A 81 3.135 12.440 1.588 1.00 0.00 O ATOM 1358 CB HIS A 81 2.918 9.240 1.420 1.00 0.00 C ATOM 1359 CG HIS A 81 3.786 8.129 0.921 1.00 0.00 C ATOM 1360 ND1 HIS A 81 4.715 8.287 -0.082 1.00 0.00 N ATOM 1361 CD2 HIS A 81 3.882 6.836 1.318 1.00 0.00 C ATOM 1362 CE1 HIS A 81 5.335 7.118 -0.260 1.00 0.00 C ATOM 1363 NE2 HIS A 81 4.870 6.202 0.565 1.00 0.00 N ATOM 0 H HIS A 81 3.467 8.709 3.777 1.00 0.00 H new ATOM 0 HA HIS A 81 4.646 10.418 1.903 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.073 8.817 1.964 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.509 9.784 0.569 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.898 9.147 -0.599 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.289 6.372 2.092 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.116 6.946 -0.986 1.00 0.00 H new ATOM 1371 N LYS A 82 2.034 11.679 3.392 1.00 0.00 N ATOM 1372 CA LYS A 82 1.288 12.917 3.598 1.00 0.00 C ATOM 1373 C LYS A 82 2.237 14.076 3.897 1.00 0.00 C ATOM 1374 O LYS A 82 2.080 15.173 3.364 1.00 0.00 O ATOM 1375 CB LYS A 82 0.291 12.741 4.747 1.00 0.00 C ATOM 1376 CG LYS A 82 -0.571 13.966 5.016 1.00 0.00 C ATOM 1377 CD LYS A 82 -1.462 13.763 6.234 1.00 0.00 C ATOM 1378 CE LYS A 82 -0.639 13.434 7.469 1.00 0.00 C ATOM 1379 NZ LYS A 82 -1.480 13.240 8.678 1.00 0.00 N ATOM 0 H LYS A 82 1.818 10.942 4.063 1.00 0.00 H new ATOM 0 HA LYS A 82 0.742 13.149 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.359 11.895 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.840 12.490 5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.068 14.835 5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.189 14.177 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.048 14.665 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.169 12.957 6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.059 12.530 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.074 14.238 7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.952 12.687 9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.729 14.166 9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.349 12.730 8.419 1.00 0.00 H new ATOM 1393 N ALA A 83 3.234 13.819 4.735 1.00 0.00 N ATOM 1394 CA ALA A 83 4.216 14.838 5.090 1.00 0.00 C ATOM 1395 C ALA A 83 5.136 15.143 3.909 1.00 0.00 C ATOM 1396 O ALA A 83 5.653 16.251 3.780 1.00 0.00 O ATOM 1397 CB ALA A 83 5.033 14.391 6.294 1.00 0.00 C ATOM 0 H ALA A 83 3.384 12.914 5.182 1.00 0.00 H new ATOM 0 HA ALA A 83 3.679 15.751 5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.761 15.162 6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.370 14.227 7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.554 13.464 6.056 1.00 0.00 H new ATOM 1403 N ALA A 84 5.332 14.150 3.052 1.00 0.00 N ATOM 1404 CA ALA A 84 6.185 14.290 1.873 1.00 0.00 C ATOM 1405 C ALA A 84 5.502 15.084 0.756 1.00 0.00 C ATOM 1406 O ALA A 84 6.139 15.447 -0.232 1.00 0.00 O ATOM 1407 CB ALA A 84 6.601 12.920 1.363 1.00 0.00 C ATOM 0 H ALA A 84 4.908 13.228 3.151 1.00 0.00 H new ATOM 0 HA ALA A 84 7.070 14.850 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.236 13.036 0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.152 12.394 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.714 12.346 1.096 1.00 0.00 H new ATOM 1484 N ALA A 90 13.905 13.383 -4.697 1.00 0.00 N ATOM 1485 CA ALA A 90 14.438 12.247 -5.426 1.00 0.00 C ATOM 1486 C ALA A 90 15.343 11.385 -4.553 1.00 0.00 C ATOM 1487 O ALA A 90 15.003 10.245 -4.230 1.00 0.00 O ATOM 1488 CB ALA A 90 15.184 12.720 -6.665 1.00 0.00 C ATOM 0 HA ALA A 90 13.596 11.626 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.579 11.858 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.502 13.271 -7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.007 13.371 -6.368 1.00 0.00 H new ATOM 1494 N GLU A 91 16.480 11.940 -4.150 1.00 0.00 N ATOM 1495 CA GLU A 91 17.528 11.157 -3.497 1.00 0.00 C ATOM 1496 C GLU A 91 17.088 10.583 -2.144 1.00 0.00 C ATOM 1497 O GLU A 91 17.266 9.391 -1.893 1.00 0.00 O ATOM 1498 CB GLU A 91 18.799 11.999 -3.348 1.00 0.00 C ATOM 1499 CG GLU A 91 18.547 13.434 -2.912 1.00 0.00 C ATOM 1500 CD GLU A 91 19.824 14.229 -2.751 1.00 0.00 C ATOM 1501 OE1 GLU A 91 20.359 14.720 -3.763 1.00 0.00 O ATOM 1502 OE2 GLU A 91 20.303 14.369 -1.606 1.00 0.00 O ATOM 0 H GLU A 91 16.702 12.929 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 91 17.737 10.301 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.456 11.520 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.329 12.008 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.908 13.925 -3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.004 13.432 -1.967 1.00 0.00 H new ATOM 1509 N GLN A 92 16.512 11.412 -1.278 1.00 0.00 N ATOM 1510 CA GLN A 92 16.019 10.934 0.016 1.00 0.00 C ATOM 1511 C GLN A 92 14.780 10.067 -0.173 1.00 0.00 C ATOM 1512 O GLN A 92 14.688 8.951 0.341 1.00 0.00 O ATOM 1513 CB GLN A 92 15.670 12.101 0.953 1.00 0.00 C ATOM 1514 CG GLN A 92 16.861 12.802 1.595 1.00 0.00 C ATOM 1515 CD GLN A 92 17.742 13.519 0.598 1.00 0.00 C ATOM 1516 OE1 GLN A 92 17.481 14.661 0.232 1.00 0.00 O ATOM 1517 NE2 GLN A 92 18.811 12.870 0.180 1.00 0.00 N ATOM 0 H GLN A 92 16.375 12.409 -1.443 1.00 0.00 H new ATOM 0 HA GLN A 92 16.818 10.347 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.096 12.838 0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.020 11.728 1.744 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.498 13.520 2.330 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.458 12.067 2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.992 11.921 0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.456 13.317 -0.471 1.00 0.00 H new ATOM 1526 N PHE A 93 13.844 10.604 -0.939 1.00 0.00 N ATOM 1527 CA PHE A 93 12.516 10.027 -1.103 1.00 0.00 C ATOM 1528 C PHE A 93 12.565 8.614 -1.688 1.00 0.00 C ATOM 1529 O PHE A 93 11.797 7.743 -1.273 1.00 0.00 O ATOM 1530 CB PHE A 93 11.698 10.967 -1.989 1.00 0.00 C ATOM 1531 CG PHE A 93 10.295 10.530 -2.284 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.346 10.429 -1.280 1.00 0.00 C ATOM 1533 CD2 PHE A 93 9.920 10.245 -3.584 1.00 0.00 C ATOM 1534 CE1 PHE A 93 8.048 10.054 -1.574 1.00 0.00 C ATOM 1535 CE2 PHE A 93 8.630 9.868 -3.880 1.00 0.00 C ATOM 1536 CZ PHE A 93 7.694 9.769 -2.879 1.00 0.00 C ATOM 0 H PHE A 93 13.985 11.463 -1.471 1.00 0.00 H new ATOM 0 HA PHE A 93 12.046 9.926 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.660 11.946 -1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.225 11.095 -2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.622 10.645 -0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.649 10.319 -4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.313 9.984 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.353 9.650 -4.901 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.683 9.469 -3.112 1.00 0.00 H new ATOM 1546 N ALA A 94 13.482 8.383 -2.625 1.00 0.00 N ATOM 1547 CA ALA A 94 13.602 7.085 -3.285 1.00 0.00 C ATOM 1548 C ALA A 94 13.833 5.958 -2.282 1.00 0.00 C ATOM 1549 O ALA A 94 13.241 4.884 -2.395 1.00 0.00 O ATOM 1550 CB ALA A 94 14.728 7.110 -4.312 1.00 0.00 C ATOM 0 H ALA A 94 14.155 9.080 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 94 12.658 6.891 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.803 6.135 -4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.518 7.871 -5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.669 7.342 -3.814 1.00 0.00 H new ATOM 1556 N SER A 95 14.675 6.211 -1.287 1.00 0.00 N ATOM 1557 CA SER A 95 15.030 5.190 -0.310 1.00 0.00 C ATOM 1558 C SER A 95 13.834 4.861 0.587 1.00 0.00 C ATOM 1559 O SER A 95 13.682 3.729 1.054 1.00 0.00 O ATOM 1560 CB SER A 95 16.229 5.654 0.534 1.00 0.00 C ATOM 1561 OG SER A 95 16.771 4.587 1.300 1.00 0.00 O ATOM 0 H SER A 95 15.124 7.114 -1.136 1.00 0.00 H new ATOM 0 HA SER A 95 15.313 4.283 -0.845 1.00 0.00 H new ATOM 0 HB2 SER A 95 17.000 6.062 -0.120 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.917 6.459 1.199 1.00 0.00 H new ATOM 0 HG SER A 95 17.532 4.914 1.824 1.00 0.00 H new ATOM 1567 N LEU A 96 12.979 5.850 0.814 1.00 0.00 N ATOM 1568 CA LEU A 96 11.793 5.662 1.646 1.00 0.00 C ATOM 1569 C LEU A 96 10.744 4.820 0.926 1.00 0.00 C ATOM 1570 O LEU A 96 10.058 4.004 1.542 1.00 0.00 O ATOM 1571 CB LEU A 96 11.195 7.010 2.054 1.00 0.00 C ATOM 1572 CG LEU A 96 11.832 7.677 3.284 1.00 0.00 C ATOM 1573 CD1 LEU A 96 11.729 6.767 4.498 1.00 0.00 C ATOM 1574 CD2 LEU A 96 13.285 8.044 3.020 1.00 0.00 C ATOM 0 H LEU A 96 13.083 6.791 0.435 1.00 0.00 H new ATOM 0 HA LEU A 96 12.103 5.130 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.277 7.694 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.132 6.871 2.249 1.00 0.00 H new ATOM 0 HG LEU A 96 11.283 8.596 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.185 7.256 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.680 6.562 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.248 5.830 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.709 8.514 3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.850 7.143 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 96 13.338 8.738 2.182 1.00 0.00 H new ATOM 1586 N VAL A 97 10.628 5.019 -0.383 1.00 0.00 N ATOM 1587 CA VAL A 97 9.678 4.262 -1.194 1.00 0.00 C ATOM 1588 C VAL A 97 10.039 2.778 -1.196 1.00 0.00 C ATOM 1589 O VAL A 97 9.165 1.911 -1.169 1.00 0.00 O ATOM 1590 CB VAL A 97 9.640 4.783 -2.647 1.00 0.00 C ATOM 1591 CG1 VAL A 97 8.612 4.024 -3.475 1.00 0.00 C ATOM 1592 CG2 VAL A 97 9.342 6.273 -2.665 1.00 0.00 C ATOM 0 H VAL A 97 11.180 5.699 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 97 8.691 4.395 -0.751 1.00 0.00 H new ATOM 0 HB VAL A 97 10.620 4.616 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.607 4.412 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.868 2.965 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.624 4.151 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.318 6.627 -3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.375 6.456 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.118 6.806 -2.116 1.00 0.00 H new ATOM 1602 N GLN A 98 11.338 2.499 -1.204 1.00 0.00 N ATOM 1603 CA GLN A 98 11.839 1.128 -1.166 1.00 0.00 C ATOM 1604 C GLN A 98 11.397 0.430 0.116 1.00 0.00 C ATOM 1605 O GLN A 98 11.001 -0.735 0.095 1.00 0.00 O ATOM 1606 CB GLN A 98 13.364 1.129 -1.278 1.00 0.00 C ATOM 1607 CG GLN A 98 13.859 1.710 -2.589 1.00 0.00 C ATOM 1608 CD GLN A 98 15.337 2.038 -2.570 1.00 0.00 C ATOM 1609 OE1 GLN A 98 16.122 1.398 -1.873 1.00 0.00 O ATOM 1610 NE2 GLN A 98 15.719 3.053 -3.328 1.00 0.00 N ATOM 0 H GLN A 98 12.069 3.210 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 98 11.424 0.579 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.784 1.702 -0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.731 0.108 -1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.660 1.001 -3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.295 2.615 -2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.033 3.556 -3.891 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.700 3.332 -3.350 1.00 0.00 H new ATOM 1619 N GLN A 99 11.438 1.164 1.221 1.00 0.00 N ATOM 1620 CA GLN A 99 11.022 0.646 2.510 1.00 0.00 C ATOM 1621 C GLN A 99 9.535 0.299 2.487 1.00 0.00 C ATOM 1622 O GLN A 99 9.118 -0.737 3.003 1.00 0.00 O ATOM 1623 CB GLN A 99 11.308 1.687 3.590 1.00 0.00 C ATOM 1624 CG GLN A 99 10.963 1.225 4.989 1.00 0.00 C ATOM 1625 CD GLN A 99 11.224 2.290 6.034 1.00 0.00 C ATOM 1626 OE1 GLN A 99 11.122 3.486 5.759 1.00 0.00 O ATOM 1627 NE2 GLN A 99 11.575 1.867 7.236 1.00 0.00 N ATOM 0 H GLN A 99 11.760 2.132 1.245 1.00 0.00 H new ATOM 0 HA GLN A 99 11.582 -0.263 2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.365 1.952 3.555 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.744 2.593 3.367 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.912 0.936 5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.546 0.336 5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.648 0.867 7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.773 2.541 7.976 1.00 0.00 H new ATOM 1636 N HIS A 100 8.751 1.176 1.864 1.00 0.00 N ATOM 1637 CA HIS A 100 7.315 0.970 1.708 1.00 0.00 C ATOM 1638 C HIS A 100 7.053 -0.327 0.943 1.00 0.00 C ATOM 1639 O HIS A 100 6.202 -1.129 1.326 1.00 0.00 O ATOM 1640 CB HIS A 100 6.714 2.166 0.955 1.00 0.00 C ATOM 1641 CG HIS A 100 5.217 2.277 1.016 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.548 3.466 0.859 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.256 1.333 1.201 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.240 3.228 0.949 1.00 0.00 C ATOM 1645 NE2 HIS A 100 3.000 1.942 1.156 1.00 0.00 N ATOM 0 H HIS A 100 9.093 2.046 1.455 1.00 0.00 H new ATOM 0 HA HIS A 100 6.847 0.891 2.689 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.146 3.082 1.357 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.015 2.104 -0.091 1.00 0.00 H new ATOM 0 HD1 HIS A 100 4.979 4.377 0.700 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.435 0.280 1.358 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.475 3.985 0.864 1.00 0.00 H new ATOM 1653 N LEU A 101 7.813 -0.534 -0.126 1.00 0.00 N ATOM 1654 CA LEU A 101 7.639 -1.701 -0.983 1.00 0.00 C ATOM 1655 C LEU A 101 7.951 -2.987 -0.211 1.00 0.00 C ATOM 1656 O LEU A 101 7.218 -3.971 -0.311 1.00 0.00 O ATOM 1657 CB LEU A 101 8.538 -1.578 -2.222 1.00 0.00 C ATOM 1658 CG LEU A 101 7.964 -2.155 -3.527 1.00 0.00 C ATOM 1659 CD1 LEU A 101 8.853 -1.790 -4.703 1.00 0.00 C ATOM 1660 CD2 LEU A 101 7.808 -3.665 -3.441 1.00 0.00 C ATOM 0 H LEU A 101 8.560 0.095 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 101 6.600 -1.748 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.762 -0.523 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.484 -2.077 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 101 6.976 -1.719 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.433 -2.206 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.913 -0.705 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.852 -2.197 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.400 -4.043 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.781 -4.121 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.131 -3.915 -2.624 1.00 0.00 H new ATOM 1672 N GLN A 102 9.032 -2.969 0.568 1.00 0.00 N ATOM 1673 CA GLN A 102 9.415 -4.118 1.383 1.00 0.00 C ATOM 1674 C GLN A 102 8.321 -4.446 2.392 1.00 0.00 C ATOM 1675 O GLN A 102 8.065 -5.611 2.706 1.00 0.00 O ATOM 1676 CB GLN A 102 10.716 -3.819 2.131 1.00 0.00 C ATOM 1677 CG GLN A 102 11.920 -3.580 1.234 1.00 0.00 C ATOM 1678 CD GLN A 102 12.392 -4.829 0.510 1.00 0.00 C ATOM 1679 OE1 GLN A 102 11.604 -5.719 0.184 1.00 0.00 O ATOM 1680 NE2 GLN A 102 13.689 -4.908 0.262 1.00 0.00 N ATOM 0 H GLN A 102 9.659 -2.168 0.651 1.00 0.00 H new ATOM 0 HA GLN A 102 9.560 -4.973 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.566 -2.940 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.936 -4.652 2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.669 -2.816 0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.739 -3.187 1.836 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.310 -4.151 0.547 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.068 -5.726 -0.215 1.00 0.00 H new ATOM 1689 N ASP A 103 7.688 -3.395 2.891 1.00 0.00 N ATOM 1690 CA ASP A 103 6.639 -3.508 3.896 1.00 0.00 C ATOM 1691 C ASP A 103 5.390 -4.172 3.313 1.00 0.00 C ATOM 1692 O ASP A 103 4.833 -5.096 3.909 1.00 0.00 O ATOM 1693 CB ASP A 103 6.314 -2.105 4.423 1.00 0.00 C ATOM 1694 CG ASP A 103 5.283 -2.081 5.533 1.00 0.00 C ATOM 1695 OD1 ASP A 103 4.139 -2.490 5.338 1.00 0.00 O ATOM 1696 OD2 ASP A 103 5.550 -1.562 6.625 1.00 0.00 O ATOM 0 H ASP A 103 7.888 -2.435 2.610 1.00 0.00 H new ATOM 0 HA ASP A 103 6.986 -4.137 4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.233 -1.644 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.955 -1.493 3.596 1.00 0.00 H new ATOM 1701 N GLU A 104 4.966 -3.711 2.136 1.00 0.00 N ATOM 1702 CA GLU A 104 3.757 -4.232 1.493 1.00 0.00 C ATOM 1703 C GLU A 104 3.916 -5.698 1.108 1.00 0.00 C ATOM 1704 O GLU A 104 2.936 -6.442 1.061 1.00 0.00 O ATOM 1705 CB GLU A 104 3.413 -3.424 0.243 1.00 0.00 C ATOM 1706 CG GLU A 104 3.217 -1.939 0.493 1.00 0.00 C ATOM 1707 CD GLU A 104 1.954 -1.598 1.268 1.00 0.00 C ATOM 1708 OE1 GLU A 104 1.248 -2.514 1.776 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.656 -0.392 1.386 1.00 0.00 O ATOM 0 H GLU A 104 5.441 -2.979 1.608 1.00 0.00 H new ATOM 0 HA GLU A 104 2.948 -4.143 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.209 -3.555 -0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.503 -3.829 -0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.079 -1.557 1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.192 -1.421 -0.466 1.00 0.00 H new ATOM 1716 N GLN A 105 5.149 -6.117 0.836 1.00 0.00 N ATOM 1717 CA GLN A 105 5.415 -7.503 0.463 1.00 0.00 C ATOM 1718 C GLN A 105 5.002 -8.447 1.584 1.00 0.00 C ATOM 1719 O GLN A 105 4.491 -9.535 1.332 1.00 0.00 O ATOM 1720 CB GLN A 105 6.891 -7.707 0.133 1.00 0.00 C ATOM 1721 CG GLN A 105 7.342 -6.976 -1.116 1.00 0.00 C ATOM 1722 CD GLN A 105 8.803 -7.225 -1.437 1.00 0.00 C ATOM 1723 OE1 GLN A 105 9.344 -8.287 -1.136 1.00 0.00 O ATOM 1724 NE2 GLN A 105 9.455 -6.249 -2.051 1.00 0.00 N ATOM 0 H GLN A 105 5.976 -5.520 0.867 1.00 0.00 H new ATOM 0 HA GLN A 105 4.826 -7.728 -0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.493 -7.371 0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.083 -8.773 0.009 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.729 -7.292 -1.960 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.179 -5.906 -0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.972 -5.381 -2.285 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.440 -6.365 -2.290 1.00 0.00 H new ATOM 1733 N ARG A 106 5.206 -8.006 2.820 1.00 0.00 N ATOM 1734 CA ARG A 106 4.810 -8.782 3.988 1.00 0.00 C ATOM 1735 C ARG A 106 3.295 -8.945 4.027 1.00 0.00 C ATOM 1736 O ARG A 106 2.787 -10.017 4.352 1.00 0.00 O ATOM 1737 CB ARG A 106 5.300 -8.111 5.278 1.00 0.00 C ATOM 1738 CG ARG A 106 6.702 -8.522 5.726 1.00 0.00 C ATOM 1739 CD ARG A 106 7.764 -8.246 4.667 1.00 0.00 C ATOM 1740 NE ARG A 106 7.841 -9.311 3.664 1.00 0.00 N ATOM 1741 CZ ARG A 106 8.730 -9.341 2.668 1.00 0.00 C ATOM 1742 NH1 ARG A 106 9.573 -8.331 2.486 1.00 0.00 N ATOM 1743 NH2 ARG A 106 8.758 -10.377 1.842 1.00 0.00 N ATOM 0 H ARG A 106 5.645 -7.112 3.039 1.00 0.00 H new ATOM 0 HA ARG A 106 5.270 -9.767 3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.282 -7.030 5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.597 -8.340 6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.958 -7.986 6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.704 -9.585 5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.543 -7.300 4.173 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.735 -8.134 5.150 1.00 0.00 H new ATOM 0 HE ARG A 106 7.173 -10.079 3.731 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.545 -7.524 3.110 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.249 -8.362 1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.102 -11.148 1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.436 -10.404 1.080 1.00 0.00 H new ATOM 1757 N HIS A 107 2.588 -7.873 3.677 1.00 0.00 N ATOM 1758 CA HIS A 107 1.130 -7.895 3.619 1.00 0.00 C ATOM 1759 C HIS A 107 0.661 -8.923 2.605 1.00 0.00 C ATOM 1760 O HIS A 107 -0.174 -9.773 2.905 1.00 0.00 O ATOM 1761 CB HIS A 107 0.576 -6.512 3.240 1.00 0.00 C ATOM 1762 CG HIS A 107 0.800 -5.465 4.286 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.547 -4.109 4.113 1.00 0.00 N ATOM 1764 CD2 HIS A 107 1.249 -5.608 5.554 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.851 -3.502 5.277 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.278 -4.367 6.171 1.00 0.00 N ATOM 0 H HIS A 107 3.004 -6.975 3.429 1.00 0.00 H new ATOM 0 HA HIS A 107 0.757 -8.164 4.607 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.040 -6.187 2.309 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.494 -6.599 3.049 1.00 0.00 H new ATOM 0 HD1 HIS A 107 0.198 -3.659 3.267 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.539 -6.542 6.013 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.756 -2.441 5.453 1.00 0.00 H new ATOM 1773 N VAL A 108 1.232 -8.852 1.410 1.00 0.00 N ATOM 1774 CA VAL A 108 0.854 -9.735 0.315 1.00 0.00 C ATOM 1775 C VAL A 108 1.072 -11.204 0.673 1.00 0.00 C ATOM 1776 O VAL A 108 0.238 -12.052 0.355 1.00 0.00 O ATOM 1777 CB VAL A 108 1.645 -9.396 -0.968 1.00 0.00 C ATOM 1778 CG1 VAL A 108 1.316 -10.364 -2.096 1.00 0.00 C ATOM 1779 CG2 VAL A 108 1.369 -7.964 -1.396 1.00 0.00 C ATOM 0 H VAL A 108 1.966 -8.185 1.173 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.209 -9.577 0.134 1.00 0.00 H new ATOM 0 HB VAL A 108 2.707 -9.497 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.890 -10.097 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.571 -11.379 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.251 -10.310 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.933 -7.740 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.304 -7.842 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.672 -7.282 -0.601 1.00 0.00 H new ATOM 1789 N GLU A 109 2.179 -11.498 1.347 1.00 0.00 N ATOM 1790 CA GLU A 109 2.501 -12.873 1.720 1.00 0.00 C ATOM 1791 C GLU A 109 1.439 -13.455 2.652 1.00 0.00 C ATOM 1792 O GLU A 109 1.101 -14.637 2.562 1.00 0.00 O ATOM 1793 CB GLU A 109 3.877 -12.951 2.384 1.00 0.00 C ATOM 1794 CG GLU A 109 5.023 -12.576 1.460 1.00 0.00 C ATOM 1795 CD GLU A 109 6.378 -12.756 2.112 1.00 0.00 C ATOM 1796 OE1 GLU A 109 6.772 -11.897 2.932 1.00 0.00 O ATOM 1797 OE2 GLU A 109 7.058 -13.758 1.812 1.00 0.00 O ATOM 0 H GLU A 109 2.867 -10.806 1.646 1.00 0.00 H new ATOM 0 HA GLU A 109 2.520 -13.464 0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.890 -12.291 3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.036 -13.964 2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.973 -13.187 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.909 -11.538 1.148 1.00 0.00 H new ATOM 1804 N GLU A 110 0.929 -12.629 3.558 1.00 0.00 N ATOM 1805 CA GLU A 110 -0.120 -13.058 4.473 1.00 0.00 C ATOM 1806 C GLU A 110 -1.463 -13.226 3.754 1.00 0.00 C ATOM 1807 O GLU A 110 -2.281 -14.055 4.151 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.244 -12.091 5.658 1.00 0.00 C ATOM 1809 CG GLU A 110 0.974 -12.115 6.570 1.00 0.00 C ATOM 1810 CD GLU A 110 0.796 -11.291 7.830 1.00 0.00 C ATOM 1811 OE1 GLU A 110 0.209 -11.807 8.807 1.00 0.00 O ATOM 1812 OE2 GLU A 110 1.265 -10.137 7.863 1.00 0.00 O ATOM 0 H GLU A 110 1.225 -11.660 3.678 1.00 0.00 H new ATOM 0 HA GLU A 110 0.164 -14.035 4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.390 -11.079 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.131 -12.346 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.192 -13.147 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.838 -11.743 6.020 1.00 0.00 H new ATOM 1819 N ILE A 111 -1.680 -12.458 2.691 1.00 0.00 N ATOM 1820 CA ILE A 111 -2.950 -12.510 1.965 1.00 0.00 C ATOM 1821 C ILE A 111 -2.957 -13.611 0.904 1.00 0.00 C ATOM 1822 O ILE A 111 -3.718 -14.579 1.003 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.281 -11.177 1.262 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.082 -9.989 2.204 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -4.716 -11.207 0.751 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -3.318 -8.646 1.543 1.00 0.00 C ATOM 0 H ILE A 111 -1.001 -11.797 2.313 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.704 -12.718 2.724 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.599 -11.055 0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.759 -10.091 3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.067 -10.016 2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.946 -10.264 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.833 -12.027 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.398 -11.352 1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.159 -7.850 2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -2.624 -8.522 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.341 -8.598 1.171 1.00 0.00 H new ATOM 1838 N GLU A 112 -2.092 -13.468 -0.101 1.00 0.00 N ATOM 1839 CA GLU A 112 -2.133 -14.316 -1.294 1.00 0.00 C ATOM 1840 C GLU A 112 -1.538 -15.702 -1.051 1.00 0.00 C ATOM 1841 O GLU A 112 -0.811 -16.229 -1.895 1.00 0.00 O ATOM 1842 CB GLU A 112 -1.401 -13.639 -2.458 1.00 0.00 C ATOM 1843 CG GLU A 112 -2.129 -12.435 -3.035 1.00 0.00 C ATOM 1844 CD GLU A 112 -1.530 -11.967 -4.350 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -1.741 -12.646 -5.380 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -0.848 -10.924 -4.368 1.00 0.00 O ATOM 0 H GLU A 112 -1.350 -12.768 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.185 -14.450 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.414 -13.325 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.247 -14.371 -3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.178 -12.688 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.099 -11.617 -2.315 1.00 0.00 H new